#DEFINITION	Reference Metabolome for Ficus carica
#IDENTTFIER	RefMeta-Ficus carica.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Ficus carica
#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 Ficus carica was generated from multi-tissue LC-MS/MS data with redundance removed
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01374	0.8
94.41891	0.3
98.21249	0.3
107.01395	2.0
108.01569	0.3
108.02194	1.4
109.02966	1.0
117.03522	0.3
119.75295	0.3
121.02950	1.1
124.01691	0.5
130.93561	0.3
131.23445	0.3
148.01660	0.7
151.00356	7.0
159.04480	0.7
163.00372	1.7
164.01096	0.3
169.01431	0.3
178.99890	3.5
179.39381	0.3
199.03923	0.5
201.01929	3.9
201.93060	0.3
203.03523	0.9
211.04007	0.8
216.04274	0.5
226.02666	1.0
227.03484	1.8
229.05074	0.7
229.21706	0.4
239.03734	0.3
243.02943	6.8
244.03401	0.6
245.04530	0.8
254.02167	1.2
255.02979	17.9
256.03265	1.1
271.02460	38.0
272.02957	3.0
273.03946	0.5
283.02524	0.9
299.02054	0.9
300.02731	72.7
301.03448	28.2
302.03864	1.9
303.04004	0.3
325.62039	0.3
463.08597	1.6
505.09857	100.0
506.10184	9.1
507.10413	0.9
511.76669	0.3
511.84106	0.3
600.45654	0.4
807.53918	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	998.5688
Annotation	Unknow
Peak:m/z	Relative Intensity
71.30038	100.0
79.42109	53.5
84.31669	48.8
85.83847	52.9
186.39999	59.4
190.13118	76.5
197.35706	63.3
219.19357	60.2
308.07687	65.8
406.91040	66.5
553.00525	83.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
70.57954	0.3
83.01366	0.8
107.01369	1.8
108.02146	0.9
109.02946	1.1
117.03380	0.4
121.02939	1.5
125.02415	0.4
135.00903	0.6
148.01599	0.7
149.02475	0.4
151.00354	6.3
157.39587	0.4
159.04541	0.5
163.00369	1.8
170.03450	0.4
178.99850	3.4
187.03940	0.4
192.00497	0.3
201.01930	3.4
203.03412	0.4
211.03972	0.8
215.03458	0.4
216.04178	0.4
226.02652	0.7
227.03514	1.6
229.01262	0.4
229.05106	0.5
243.02963	7.0
244.03447	0.8
245.04494	1.0
254.02090	1.8
255.00296	0.6
255.02968	17.5
256.03342	1.3
271.02451	37.1
272.02884	3.2
283.02414	1.2
299.01889	1.1
300.02716	74.1
301.03433	26.5
302.03799	1.1
370.05423	0.4
447.86658	0.3
463.08835	1.8
473.10779	0.4
505.09842	100.0
506.10172	9.7
507.10330	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	996.226
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01387	0.6
97.21666	0.3
107.01357	1.3
108.02185	1.3
109.02948	0.7
121.02944	1.1
135.00893	0.4
138.01971	1.4
148.01669	0.5
151.00356	7.0
154.35594	0.3
163.00343	1.4
164.01155	0.4
169.01375	0.3
171.19168	0.3
178.99840	3.9
211.04010	0.8
215.03532	0.6
226.02708	0.9
227.03439	1.4
229.01328	0.4
243.02962	4.9
244.03445	0.4
245.04584	0.9
254.02248	1.0
255.02969	14.2
256.03409	0.9
271.02460	32.9
272.02878	2.2
273.03946	0.6
283.02496	0.8
299.01984	1.0
300.02719	63.9
301.03455	25.7
302.03754	1.4
337.51807	0.3
343.04230	0.5
426.10675	0.4
512.98798	0.3
595.60284	0.4
609.14557	100.0
610.14868	11.5
710.84821	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	998.5685
Annotation	Unknow
Peak:m/z	Relative Intensity
69.84090	100.0
74.66385	24.8
81.57960	22.9
85.11929	25.4
118.95868	19.7
311.29608	21.7
463.22528	26.3
620.11102	24.1
838.16498	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	992.5795
Annotation	Unknow
Peak:m/z	Relative Intensity
69.54579	100.0
69.55009	72.0
70.25248	25.8
70.69271	22.5
70.76897	24.0
122.11185	28.8
217.65062	25.1
300.95490	37.5
301.97443	28.0
356.04843	29.8
413.98541	27.2
1015.48029	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	993.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
73.23893	0.2
77.03976	0.3
79.01904	0.6
80.02659	0.2
81.03425	0.3
83.01417	0.3
91.29363	0.2
95.38773	0.2
97.02960	0.7
105.03529	0.3
107.01381	0.8
108.02183	13.7
109.02995	2.0
114.06721	0.3
117.03313	0.2
119.05040	1.0
121.02981	1.2
123.00922	0.3
123.04531	5.5
125.02461	1.2
132.02251	0.4
133.02968	10.7
134.03731	1.0
135.00894	0.4
135.04485	1.5
137.02428	0.3
145.02991	0.4
147.04532	1.3
149.02414	1.5
150.02975	0.3
151.00374	0.6
151.04004	0.7
152.01161	28.0
153.01500	0.7
161.02473	1.6
162.99205	0.3
163.00380	1.5
163.04016	3.0
165.01950	1.9
167.03503	56.4
168.03824	1.4
173.02444	0.5
175.04024	2.9
177.01985	1.1
179.03458	0.3
180.45146	0.3
183.04425	0.3
185.06296	0.3
191.03526	1.9
193.01422	1.2
193.05090	1.1
199.04008	1.4
201.01935	1.4
203.03525	0.3
209.06082	0.3
211.04063	0.7
211.07611	0.3
212.04684	0.6
213.05592	1.0
215.03488	0.4
217.05060	0.4
225.05540	0.7
227.03511	0.8
227.07060	0.4
229.01550	0.4
229.04967	0.3
231.06693	0.3
240.04341	0.9
241.05037	0.8
243.03062	0.6
251.03621	0.3
253.05083	1.2
255.03050	1.0
255.06538	0.8
256.03708	0.5
257.04608	0.6
269.04562	1.2
270.05289	0.5
281.04578	0.4
283.05917	0.3
284.03278	8.9
285.04053	7.4
297.04047	16.1
298.04813	9.5
299.05606	17.0
300.05829	1.2
309.04102	1.0
311.05646	2.4
324.02625	0.5
325.03574	0.7
327.05103	100.0
328.05450	5.3
339.05154	3.5
341.06653	0.6
357.06168	26.4
358.06503	1.6
369.06256	2.8
393.06192	1.1
429.08215	0.4
447.09329	95.9
448.09644	7.7
459.15286	0.5
501.16177	5.6
502.16470	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.4034
Annotation	Unknow
Peak:m/z	Relative Intensity
71.50309	1.3
134.99414	5.8
136.97316	5.0
143.05299	1.2
161.06369	8.2
203.05688	5.8
205.03474	1.6
217.07188	100.0
218.07384	4.1
236.41251	1.1
253.04250	1.1
285.13455	53.1
286.13541	2.7
301.16592	51.1
302.16824	2.7
496.13641	2.0
512.13708	2.3
526.14600	5.8
607.25000	1.7
613.19299	2.1
614.19922	1.4
687.22876	2.2
989.40308	65.7
990.40515	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	991.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
71.50349	0.9
73.02954	0.5
78.17487	0.5
85.02950	1.5
89.02448	0.5
90.65508	0.5
93.03437	1.1
95.01369	0.8
99.04517	0.9
100.02573	0.5
101.02458	1.6
107.01398	2.1
109.02956	0.7
113.02456	2.2
125.02386	1.0
132.02194	1.2
133.01508	0.6
135.00925	1.1
151.00362	1.5
159.04529	1.6
163.00391	2.0
171.04543	0.9
185.06143	1.1
187.03993	1.6
189.05399	0.5
195.04657	0.6
197.06123	0.9
199.04021	0.7
211.03995	1.6
213.05574	0.8
227.03491	17.8
228.03813	0.7
229.05086	6.9
239.03459	0.8
241.05132	1.2
255.02992	41.7
256.03546	3.3
257.04547	3.4
283.02609	0.9
284.03271	70.4
285.04031	63.9
286.04260	2.8
317.51962	0.7
473.16830	1.3
489.10400	100.0
490.10760	6.8
531.24152	0.8
532.24799	1.1
992.45996	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.5452
Annotation	Unknow
Peak:m/z	Relative Intensity
71.50094	11.1
76.04025	9.4
89.02413	20.8
93.72928	7.6
101.02409	10.9
179.05685	11.1
197.18553	8.9
216.70825	9.7
237.94623	9.0
275.20184	27.0
277.21747	54.2
293.21240	100.0
384.57657	9.3
397.13437	59.2
415.14697	13.9
631.90161	8.9
662.68634	9.9
675.36511	12.1
870.97021	11.0
987.54401	78.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.277
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03465	0.2
69.53469	0.8
71.01377	4.1
72.99326	0.2
73.02943	5.7
79.96570	0.1
83.01386	1.6
85.02959	0.7
89.02451	0.8
101.02441	4.6
107.51814	0.1
113.02449	2.1
119.03497	0.6
125.02441	0.1
131.03506	0.5
132.69519	0.1
143.03502	0.4
149.04503	0.8
161.04567	1.7
174.03218	0.5
181.06656	0.2
183.04506	0.3
183.08118	0.3
185.06128	0.2
187.04079	0.4
197.05971	0.3
199.07619	0.3
203.05594	0.2
206.02245	0.3
211.03992	30.8
212.04517	2.0
221.06555	0.7
225.05592	1.1
227.07120	100.0
228.07454	4.5
229.08670	2.2
245.08167	2.4
257.08267	0.3
259.09842	0.2
278.20062	0.2
287.09296	0.5
317.10376	0.2
322.15680	0.1
371.25836	0.1
407.13434	0.3
449.14496	10.1
450.14743	0.8
616.47491	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.3664
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99810	2.9
69.03471	1.2
71.00978	0.6
71.01379	18.9
71.50298	1.2
72.99319	6.2
73.02948	5.0
75.00874	17.0
83.01370	1.6
84.47849	1.0
85.02951	19.0
87.00886	5.9
89.02448	3.6
91.27859	0.8
93.03485	1.2
95.01375	4.4
99.00888	15.0
101.02444	3.1
102.32024	0.9
103.00385	2.2
111.00869	2.4
113.02461	18.3
115.00388	2.2
117.01953	2.9
121.02966	5.6
122.03758	0.9
129.01965	1.5
134.03711	2.6
135.00977	1.0
135.04495	1.6
135.11821	3.9
136.05313	1.2
143.08623	1.0
147.04494	1.6
149.02431	1.4
150.03227	3.1
153.01904	0.9
157.01375	2.0
159.04506	4.2
159.08073	1.5
160.05281	7.7
161.02335	1.1
161.04552	1.7
161.06056	2.9
161.09709	10.1
164.04834	1.7
165.05609	1.7
172.05344	1.0
173.06139	1.5
175.02446	1.9
175.07622	5.5
177.02011	1.3
177.05559	1.8
178.06425	2.3
178.82297	0.9
179.10780	14.6
182.44858	0.9
195.06631	1.2
228.29735	1.1
240.04353	1.4
245.08305	1.6
249.06190	11.8
267.07196	4.9
267.18024	1.1
269.08197	11.7
270.08786	1.2
274.50394	0.9
281.08151	2.9
283.09824	5.3
298.11813	1.1
299.09274	8.2
307.11835	1.4
311.09299	12.7
311.12720	1.6
312.09692	2.2
314.11597	13.6
315.12338	4.1
325.10876	1.4
326.11548	9.4
327.12097	2.5
329.10007	1.6
329.13901	27.7
330.14713	2.1
332.92856	0.9
341.13910	6.9
411.16525	1.9
435.78253	1.0
455.15726	4.4
471.28677	1.0
617.20862	4.2
664.14130	1.2
724.23035	1.0
959.34790	1.5
977.36560	100.0
978.36920	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
70.31568	0.9
71.01388	3.3
73.02943	1.7
77.32142	0.2
81.03451	0.7
83.01394	0.8
85.02940	1.8
87.00871	0.3
89.02454	1.1
97.02920	0.3
97.65839	0.2
99.00856	0.3
99.04517	23.5
100.04840	0.5
101.01798	0.5
101.02438	5.5
113.02444	2.1
117.03467	6.0
119.03551	0.3
119.05032	0.7
125.02445	11.8
126.02731	0.3
137.09724	0.3
138.06847	2.3
143.03505	1.6
145.02962	3.7
147.04521	1.5
153.09210	6.8
158.42712	0.3
161.04518	1.5
163.03995	1.9
173.02441	3.6
174.02812	0.3
189.01886	0.3
191.03531	0.5
191.05614	0.4
201.01920	100.0
202.02254	3.1
207.13940	0.5
225.14948	9.1
306.35919	0.3
368.02966	0.2
369.19180	4.5
370.19678	0.3
387.20197	4.9
388.20401	0.3
429.21262	8.6
430.21646	0.6
469.24402	1.5
487.25534	2.5
531.24451	24.6
532.24707	2.7
534.22754	0.2
599.15387	0.3
802.72144	0.3
819.81537	0.3
911.71075	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.6106
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	21.6
71.49129	8.5
71.49486	6.7
85.02959	7.6
87.00890	8.7
88.06714	4.9
89.02457	16.9
97.02944	5.9
101.02456	13.9
113.02444	10.0
118.95495	4.9
125.02460	8.7
212.39442	5.5
255.23270	89.2
277.21704	100.0
289.62762	6.3
379.12427	23.1
397.13464	55.8
415.14612	11.7
590.75153	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	976.4755
Annotation	Unknow
Peak:m/z	Relative Intensity
88.98804	5.2
99.13168	4.4
112.98814	8.8
115.00326	7.3
133.01469	5.2
142.99815	9.9
173.00906	10.2
174.01686	14.6
175.02469	14.5
184.08919	4.1
211.13361	100.0
228.59402	5.2
253.09239	7.6
277.21729	98.1
278.22153	5.3
429.21368	8.7
447.22189	11.5
513.30884	11.4
707.43970	21.7
745.41138	7.5
763.42700	9.7
917.95557	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	976.5842
Annotation	Unknow
Peak:m/z	Relative Intensity
86.86166	52.0
96.20507	58.4
98.20682	100.0
120.96331	47.1
133.03935	44.6
203.49190	51.5
869.48010	64.1
906.90387	58.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99803	2.2
69.03448	1.0
69.32404	6.6
71.01384	20.3
72.99298	5.9
73.02946	3.2
75.00873	17.3
83.01382	1.8
85.02951	17.9
87.00875	5.1
89.02420	3.1
93.03444	1.5
95.01408	5.1
97.02934	1.1
99.00281	1.1
99.00883	13.4
101.02426	3.3
103.00355	1.3
105.37051	0.8
109.02934	1.0
111.00840	1.7
113.02446	16.1
115.00344	3.2
117.01894	1.0
120.05887	0.8
121.02984	3.6
122.03762	0.8
123.04497	1.0
124.49673	0.8
129.01933	0.9
131.03476	1.1
134.03731	2.7
135.00883	1.2
135.04526	1.4
135.11787	4.2
137.02429	1.0
143.08559	1.7
147.04489	1.8
150.03227	4.1
153.01956	1.1
157.01491	1.5
158.03738	1.0
159.04463	4.7
159.08089	1.4
160.05307	9.3
161.02455	1.3
161.04663	0.9
161.06056	2.6
161.09718	10.1
163.04010	1.6
164.04778	1.1
165.05556	1.3
172.05347	0.9
173.06024	1.5
175.02438	2.8
175.07663	7.1
177.05597	1.8
178.06303	1.4
179.10777	15.4
183.13956	0.9
187.07617	0.9
195.06700	1.2
203.10855	1.1
205.08731	1.0
223.09755	0.9
229.08565	1.2
245.08130	1.3
249.06136	13.7
255.10146	1.5
267.07062	5.2
269.08167	11.2
275.09406	0.9
281.08179	2.6
283.09741	4.3
298.12003	0.8
299.09271	7.7
307.11786	2.1
311.09241	12.9
312.09537	1.5
314.11584	12.6
315.12329	5.1
325.10562	1.7
326.11548	10.6
327.12314	1.7
329.13922	26.9
330.14355	1.1
339.07587	1.1
341.13950	6.3
403.56995	0.8
411.16748	1.6
455.15674	5.4
460.37994	0.8
473.16968	1.0
617.20819	3.3
959.36340	1.3
977.36572	100.0
978.36786	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.287
Annotation	Unknow
Peak:m/z	Relative Intensity
80.02660	0.3
89.69469	0.2
94.63990	0.2
101.02462	0.3
108.02170	23.9
109.02502	0.3
123.04522	9.7
124.04832	0.2
129.05814	0.2
135.04520	2.1
140.94287	0.2
152.01146	51.8
153.01489	1.2
155.26086	0.2
167.03488	100.0
168.03831	2.5
193.05042	0.3
201.01932	0.2
242.14273	0.2
339.10916	0.6
339.85260	0.2
459.15302	0.6
501.16071	7.2
502.16449	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
67.89033	0.1
81.03461	0.4
82.07623	0.1
89.03976	2.1
90.10242	0.1
93.03465	0.2
95.05035	0.2
98.88894	0.1
101.02425	0.2
104.02692	0.5
105.03468	3.5
106.03802	0.2
108.02176	5.8
121.02943	0.3
123.04532	2.4
124.77932	0.1
133.02968	9.5
134.03250	0.2
135.04494	0.2
138.98634	0.1
148.01645	0.5
149.02419	1.0
152.01155	11.9
153.01479	0.5
167.03500	23.5
168.03867	0.9
176.01143	1.1
176.64726	0.2
177.01933	100.0
178.02274	3.0
229.18207	0.2
338.05789	0.2
339.07172	0.4
381.08276	29.6
382.08606	1.6
501.16193	1.8
502.16809	0.2
504.27377	0.2
689.45508	0.1
720.49316	0.1
939.06653	0.1
986.77612	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.551
Annotation	Unknow
Peak:m/z	Relative Intensity
69.37083	52.3
69.69437	7.2
71.01390	12.8
89.02464	15.3
90.93816	6.7
98.20637	10.5
101.02444	11.7
226.02673	6.6
277.21729	100.0
379.12363	19.4
397.13489	48.7
971.53534	11.3
972.55536	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	971.5499
Annotation	Unknow
Peak:m/z	Relative Intensity
69.77760	28.0
71.01387	11.0
89.02428	9.4
101.02473	8.5
114.06670	5.0
137.99658	5.0
141.18661	5.4
277.21722	100.0
278.22223	6.3
289.84256	5.5
370.47202	5.5
379.12189	13.5
397.13437	32.5
415.14349	9.7
469.45154	5.3
971.54102	12.6
972.54761	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	967.5632
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03455	2.4
71.01385	20.4
71.49907	0.9
72.99311	2.4
73.02949	4.1
80.93105	0.9
81.03481	1.4
83.01380	2.5
85.02946	5.6
87.00883	5.0
89.02444	17.4
95.01382	1.5
97.02954	3.7
99.00885	1.4
101.02447	16.5
111.08182	7.0
113.02453	10.3
119.03470	5.7
125.02458	8.7
131.03467	1.1
143.03510	3.8
159.81294	0.8
161.04579	4.2
164.25171	0.8
169.12331	3.2
171.10243	1.6
179.05592	5.7
181.12320	1.1
183.13739	0.8
193.12183	0.8
197.11821	40.7
198.12207	1.5
199.13426	1.4
209.15494	3.2
211.13390	8.0
221.06590	1.5
223.17036	2.0
225.14879	4.8
235.08243	5.7
251.16479	4.6
253.09229	1.3
263.20279	1.9
273.18536	1.0
277.21710	55.9
278.22046	2.9
287.07721	1.2
291.19656	25.1
292.19852	1.6
302.49005	1.1
305.08783	2.0
309.20700	100.0
310.21130	5.0
323.09802	1.3
365.39435	0.9
379.12488	3.1
397.13495	50.6
398.13672	2.5
412.71045	1.0
415.14551	18.4
557.87750	1.0
675.35974	1.8
689.34326	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	969.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
70.61844	0.2
70.62197	0.6
71.01373	1.5
72.99258	0.3
80.02692	0.4
84.63263	0.2
85.02943	0.5
89.02456	1.3
93.36948	0.2
94.57009	0.2
95.01356	0.3
101.02435	0.7
103.86810	0.2
104.92252	0.2
108.02167	25.2
109.02519	0.4
113.02445	0.5
119.03538	0.5
123.04520	9.7
124.04844	0.3
135.04501	0.5
152.01140	55.3
153.01477	1.5
155.25659	0.2
167.03481	100.0
168.03839	2.4
173.02473	0.3
174.03188	1.2
175.04028	0.3
187.03967	0.7
197.06081	0.6
199.07611	0.3
201.01930	1.7
206.02252	0.6
215.07106	6.4
216.07436	0.3
225.05511	0.8
228.04121	0.6
243.06596	17.8
244.06976	0.9
245.08170	0.9
247.09729	0.3
261.07535	0.3
300.02750	0.4
423.12921	21.7
424.13174	1.4
459.15100	0.6
501.16089	7.9
502.16254	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5631
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99790	0.6
69.03453	2.5
69.57677	1.3
69.58084	3.0
71.01386	24.1
72.99305	2.3
73.02959	3.7
75.00882	0.8
76.67314	0.6
81.03483	1.2
83.01380	2.8
83.69661	0.6
85.02963	5.6
87.00886	4.8
89.02448	23.4
95.01392	1.3
97.02953	4.3
97.56858	0.6
98.20632	0.8
99.00884	1.3
99.77460	0.6
101.01797	1.2
101.02448	19.4
111.04559	0.7
112.81797	0.6
113.02466	9.7
119.03513	7.7
121.02969	0.9
125.02467	9.6
131.58887	0.6
141.01970	0.6
143.03481	3.1
149.04604	0.7
161.04573	5.3
162.04881	0.7
165.12848	9.3
169.05045	0.7
169.16393	0.5
179.05579	4.9
186.39346	0.6
221.06641	1.4
222.18970	0.6
235.08221	10.6
247.20613	4.2
253.09309	3.2
263.07712	1.2
273.18570	1.6
277.21732	59.2
278.22034	3.2
287.07751	2.6
291.19662	30.8
292.19989	1.4
305.08844	4.0
323.09869	1.1
361.11523	0.7
379.12247	0.6
397.13525	100.0
398.13907	4.3
415.14594	33.8
416.14862	1.8
675.36127	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	967.5629
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03440	1.5
71.01382	16.4
71.49780	0.8
72.99310	1.6
73.02943	2.4
81.03450	1.1
83.01375	2.4
83.05029	1.0
85.02946	5.1
87.00879	5.2
89.02440	13.7
95.01391	1.9
95.04963	0.9
97.02946	11.6
97.06577	1.3
101.02438	14.5
111.08151	1.9
111.22166	0.7
112.47894	0.6
113.01818	0.8
113.02464	8.0
119.03504	3.4
119.08594	0.6
125.02453	5.0
131.03468	1.0
137.09717	2.4
141.01926	0.8
143.03456	2.3
149.04486	0.9
161.04518	4.1
163.11375	1.4
165.12889	3.5
171.10240	4.0
179.05591	4.8
180.48795	0.6
183.13852	2.2
193.12306	1.3
195.13782	1.1
197.11807	4.1
209.11777	1.3
211.13283	3.4
221.06584	1.8
227.12856	1.4
233.15370	1.2
235.08232	6.6
247.20653	2.2
251.16374	0.9
253.09145	2.0
255.23599	0.7
273.18661	1.7
277.21704	50.5
278.22015	3.4
287.07632	2.2
291.19641	29.4
292.19934	1.9
305.08826	2.2
309.20685	100.0
310.21042	4.5
323.09857	1.6
333.20825	0.8
379.12149	3.7
397.13474	43.0
398.13937	2.0
415.14548	13.3
675.35565	1.5
689.33618	1.3
707.34760	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	964.5111
Annotation	Unknow
Peak:m/z	Relative Intensity
71.50444	51.3
78.95890	38.4
89.02473	42.3
115.21104	29.9
116.92880	33.8
211.13342	100.0
212.13718	50.8
232.36304	34.3
277.21649	97.4
279.23343	60.7
373.35455	34.2
397.13400	59.7
447.25238	39.6
467.20395	37.6
528.08783	36.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	966.6597
Annotation	Unknow
Peak:m/z	Relative Intensity
69.50480	8.4
69.50900	3.5
69.93513	1.6
71.01384	6.1
73.02924	3.1
83.05054	2.2
86.93860	1.5
87.00842	2.6
89.02431	2.2
101.02445	5.0
113.02441	3.1
127.50903	1.7
133.01376	2.7
133.03023	1.7
135.04495	2.9
139.99121	1.6
141.20891	1.7
149.02414	2.0
161.02414	6.0
165.05589	1.9
166.05025	2.4
167.37831	1.6
177.01904	2.3
193.01451	1.9
208.98628	1.6
215.42380	1.9
425.63855	2.0
557.48999	1.9
766.46478	2.0
904.66870	2.9
905.67987	3.9
906.67419	22.6
966.65979	100.0
967.66321	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	967.4543
Annotation	Unknow
Peak:m/z	Relative Intensity
69.16312	3.5
69.16726	7.7
71.01378	41.0
73.02938	15.4
75.00895	1.7
83.01387	8.9
85.02951	22.5
87.00887	2.1
89.02438	2.6
95.01373	1.9
98.20682	2.1
99.00899	5.7
99.56362	1.1
101.02440	33.8
110.29856	1.1
110.99255	1.1
113.02457	17.7
121.60583	1.1
125.02429	1.8
129.01944	1.5
134.69630	1.1
138.76833	1.1
143.03506	3.8
150.03223	1.1
159.02960	4.3
161.04532	22.2
164.57655	1.2
165.05606	1.6
191.53329	1.3
196.66818	1.2
231.17299	1.2
285.57574	1.2
288.80759	1.2
379.21152	7.5
397.22281	46.2
398.22690	4.2
439.23349	100.0
440.23438	7.5
464.45456	1.3
826.88562	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	963.6862
Annotation	Unknow
Peak:m/z	Relative Intensity
67.67278	0.3
69.19281	3.5
70.51293	0.4
71.01361	1.1
71.35351	0.3
73.02934	0.6
81.03451	7.1
83.05025	16.8
85.02916	0.6
87.04558	0.3
96.95978	0.4
100.07671	0.4
101.02457	0.3
102.43538	0.4
108.04505	0.6
113.02456	0.5
125.07183	0.5
126.05583	0.5
133.01442	0.5
135.04536	0.4
143.08258	0.4
150.03210	0.6
155.10791	0.4
156.21347	0.3
161.02534	0.4
165.05557	0.5
175.22881	0.3
181.04993	0.3
191.45200	0.4
195.06544	0.4
207.15010	1.2
211.01627	0.4
224.17688	2.7
225.16084	9.5
309.21933	0.6
309.78125	0.4
333.23074	0.8
339.48715	0.4
341.29111	1.0
367.27100	1.1
433.32059	1.9
450.34372	1.3
451.32883	7.4
452.33014	0.5
473.16617	1.0
550.43805	0.4
567.45807	0.7
659.48944	0.5
676.50549	0.4
677.49939	1.6
776.60107	0.5
869.70386	0.4
885.64923	0.6
903.66479	100.0
904.66803	22.6
904.85223	0.7
963.36200	0.8
964.38098	0.4
986.15900	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.5382
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	1.2
70.51501	1.9
71.01385	11.5
72.99302	1.2
73.02958	2.6
83.01401	1.9
85.02946	4.3
87.00879	3.7
87.10029	1.0
89.02457	8.8
95.01386	1.3
97.02936	2.4
101.02448	10.7
113.02452	5.4
117.43069	0.8
119.03520	3.6
124.01766	0.8
125.02456	4.7
136.93956	0.8
137.16844	0.9
140.74696	0.8
143.03505	2.7
161.04561	2.5
174.01711	1.1
179.05602	3.4
183.13892	5.6
190.01501	0.9
193.12350	1.5
211.13402	100.0
212.13770	3.7
217.07202	1.0
235.08192	4.4
259.08279	1.5
277.21729	44.9
278.22076	3.3
287.07788	1.7
305.08673	1.3
323.09937	1.2
336.49673	0.9
346.62143	0.8
377.95987	0.9
379.12491	12.0
397.13535	34.3
398.13739	1.4
415.14691	7.0
566.26801	0.9
591.26392	8.6
609.27795	6.9
610.28180	0.9
657.34485	1.5
675.36060	2.2
869.48669	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.5369
Annotation	Unknow
Peak:m/z	Relative Intensity
69.18102	7.7
69.18521	2.8
71.01382	17.9
73.02946	2.6
81.03468	1.2
85.02962	3.7
87.00868	4.3
87.15639	1.1
89.02446	15.1
94.63245	1.2
97.02962	1.1
97.92252	1.1
98.19927	2.0
100.31100	1.2
101.02450	12.7
113.02435	7.4
119.03489	3.4
125.02438	6.1
127.03958	1.1
131.03470	1.3
143.03496	2.8
161.04514	3.6
179.05608	4.1
183.13829	6.7
193.12247	1.8
211.13390	100.0
212.13689	4.1
221.06789	1.2
235.08244	6.8
277.21707	59.4
278.22009	4.4
287.07626	2.8
305.08771	1.8
312.14584	1.1
320.06488	1.1
323.09885	2.2
379.12601	13.8
397.13477	45.2
398.13675	2.3
415.14618	9.8
433.31958	1.2
591.26654	5.9
609.27563	5.3
657.34631	3.2
675.35822	4.2
869.48785	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.564
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	23.9
71.41335	1.8
72.99300	1.9
73.02956	4.8
83.01393	3.1
85.02956	6.0
87.00880	6.3
87.41484	1.1
89.02449	19.9
97.02943	5.7
101.02438	22.9
111.00964	1.4
113.02432	11.0
117.17659	1.1
119.03480	6.4
121.10225	3.7
125.02430	8.5
143.03505	2.4
157.08727	11.1
161.04526	4.4
163.03978	1.4
166.45369	1.1
179.05617	5.2
217.19600	1.4
221.06743	2.0
235.08195	11.2
253.09312	2.5
253.15280	1.2
261.18576	17.6
277.21713	58.7
278.22021	4.4
279.19650	17.0
280.20126	1.4
287.07617	3.4
300.92105	1.1
305.08731	3.4
342.16757	1.2
379.54916	1.2
397.13480	100.0
398.13846	5.2
415.14529	31.5
643.27814	1.3
675.36060	3.5
923.33875	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	959.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
68.85175	1.0
71.49736	1.4
78.17101	1.1
99.04525	1.4
107.01392	1.4
125.02433	1.3
151.00462	1.3
158.91574	0.9
159.04498	1.7
162.38022	1.0
163.00354	1.8
185.83748	1.0
203.03513	1.5
211.03975	1.4
213.05338	1.0
227.03479	13.8
229.04987	7.5
241.05080	1.0
255.02977	29.2
256.03574	2.0
257.04626	3.3
284.03256	38.9
285.04013	53.1
286.04352	3.0
531.24023	1.8
593.15076	100.0
594.15503	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	955.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
69.21337	0.8
71.01376	0.1
73.02961	0.2
93.03445	0.1
93.90763	0.1
96.96006	0.1
98.20628	0.1
101.02422	0.2
116.92867	0.2
122.57629	0.1
130.04239	2.6
132.02182	0.1
133.03018	0.1
145.02968	0.4
146.03722	0.2
157.85484	0.1
159.04405	0.1
173.02435	1.6
174.03212	21.2
175.03554	0.8
177.49942	0.1
178.02731	0.1
206.02193	17.5
207.02505	0.5
213.05565	0.1
213.09215	0.4
214.06361	1.0
215.10651	0.1
225.05602	0.2
227.07352	0.1
229.08682	100.0
230.09021	5.1
236.77438	0.1
241.08740	0.5
243.10298	0.2
253.08641	0.3
264.27933	0.1
271.09686	0.7
413.80789	0.1
667.58789	0.1
674.15942	0.1
818.87439	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	951.5678
Annotation	Unknow
Peak:m/z	Relative Intensity
66.36511	0.6
69.03452	1.0
71.01379	16.6
71.49341	1.1
72.99306	2.0
73.02950	3.4
81.03453	0.7
83.01398	2.1
85.02952	5.4
87.00868	5.3
88.29714	0.6
89.02441	14.9
91.04044	0.6
95.01408	1.1
97.02955	2.9
99.00855	0.7
101.02444	13.9
108.58743	0.5
109.02898	0.6
111.00877	0.7
113.02448	7.4
115.70743	0.5
119.03488	4.9
121.10242	2.4
125.02466	6.1
129.01973	0.6
137.02351	0.5
143.03522	2.6
145.05037	0.5
161.04533	4.2
171.10266	7.0
174.53499	0.6
179.05602	3.8
179.14417	1.1
183.10187	1.0
195.13898	6.0
196.14395	0.7
211.13390	0.8
221.06599	1.7
223.13354	3.6
228.13698	1.0
235.08224	5.4
235.17162	1.0
241.21817	0.7
242.35077	0.6
253.09215	1.6
256.13040	1.1
275.20145	13.8
276.20538	0.6
277.21704	52.8
278.22037	4.0
287.07706	0.9
293.21216	100.0
294.21539	7.7
305.08752	2.6
323.09619	1.3
361.11349	0.6
379.12451	4.9
397.13498	44.5
398.13687	2.1
415.14532	10.2
511.54388	0.5
551.66632	0.5
675.36432	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	951.5675
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03434	1.3
71.01376	16.4
71.07055	1.0
71.07381	0.7
72.99306	1.1
73.02930	2.7
77.68222	0.6
81.03408	0.6
83.01383	2.3
85.02966	3.7
87.00894	5.0
89.02439	16.2
95.01406	1.1
97.02957	2.2
101.02440	13.3
103.39359	0.7
113.02450	7.1
113.11499	0.6
119.03490	4.0
121.10233	2.0
125.02435	6.8
133.05142	0.8
138.40775	0.7
143.03474	2.8
161.04558	3.8
167.03423	1.1
171.10257	9.7
175.83649	0.8
177.16373	0.6
179.05612	4.3
183.10280	1.4
183.13861	0.8
195.13861	4.5
211.13185	0.8
217.07176	0.8
221.06718	1.6
223.13374	3.9
235.08194	6.0
235.17043	1.3
253.09302	1.4
256.13342	0.9
275.20157	14.4
276.20602	0.8
277.21692	56.9
278.22073	3.4
287.07794	2.0
293.21201	100.0
294.21606	6.0
303.47726	0.6
305.08673	2.2
323.09735	1.3
379.12390	6.7
397.13470	43.8
398.13724	2.2
415.09149	0.7
415.14557	13.9
673.34424	1.3
691.35321	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.4802
Annotation	Unknow
Peak:m/z	Relative Intensity
65.97136	2.2
71.01378	14.6
71.04872	4.7
71.05198	2.7
84.03621	2.1
85.02930	2.7
87.00856	2.6
88.98798	3.1
89.02434	10.3
89.06360	2.4
95.01338	2.1
99.67036	2.3
99.92596	4.4
101.02450	6.1
113.02401	3.7
116.92853	22.8
117.92846	7.9
120.28698	2.7
125.02444	3.5
139.24879	2.3
142.99802	2.4
163.44447	2.4
183.13878	29.9
211.13377	10.9
227.49724	2.5
277.21704	41.3
278.22125	3.2
397.13507	6.0
415.14319	2.9
436.47366	2.6
443.88040	3.0
885.48541	100.0
886.49493	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	948.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
69.81596	2.3
71.01382	16.0
71.04681	5.0
72.99272	3.7
73.02974	2.5
83.01347	2.7
83.25510	2.6
85.02953	3.2
88.98787	5.5
89.02446	9.5
93.06152	2.6
93.11536	2.2
101.02438	8.8
111.24754	2.6
111.75850	2.2
113.02435	3.6
116.92842	25.4
117.92842	7.8
125.02428	3.7
165.12843	4.6
175.02441	2.7
183.13892	32.6
211.13431	13.5
277.21704	43.8
278.21909	2.5
366.45685	3.2
397.13275	4.1
453.31781	2.5
602.80481	2.5
682.94635	3.1
683.29791	2.7
778.38367	2.6
885.48505	100.0
886.49017	18.6
917.18127	2.8
948.44281	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	949.4559
Annotation	Unknow
Peak:m/z	Relative Intensity
67.98277	1.2
69.12920	2.3
69.13309	9.8
71.01387	6.6
72.81062	1.0
72.99293	3.4
75.00873	1.2
76.01819	1.0
78.85181	1.1
85.02895	1.1
87.00886	2.7
89.02435	1.9
99.00832	2.7
101.02405	2.0
111.00876	1.8
112.98807	8.9
113.02493	1.1
115.00388	5.9
116.92886	1.4
129.01923	1.8
135.02963	2.9
142.99857	8.9
145.01392	3.7
161.04536	2.0
173.00966	5.7
174.01675	10.4
175.02504	10.7
183.13858	4.4
200.25404	1.1
202.68942	1.2
211.13379	100.0
212.13719	4.7
235.08203	4.2
249.94926	1.1
253.09326	5.8
277.21707	91.0
278.22018	5.4
397.25467	1.6
414.72040	1.3
429.21146	4.9
447.22467	9.0
448.22391	1.7
513.30682	5.6
666.28912	1.4
707.43658	18.7
708.44098	2.5
742.86066	1.2
745.42279	1.2
759.43079	1.3
763.42236	4.2
803.42438	3.8
821.43097	2.9
863.42981	1.7
881.44507	1.7
958.20557	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	947.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
69.17140	11.7
70.91068	1.3
71.01381	68.5
72.01740	1.6
72.99295	4.5
73.02556	2.3
73.02946	36.8
75.00853	2.1
83.01387	12.7
85.02953	20.5
87.00866	3.8
89.02444	39.6
95.01364	6.1
97.02926	1.9
99.00877	2.5
101.02443	47.6
103.25052	1.2
105.96739	1.3
113.02444	31.8
119.03496	13.5
125.02396	2.1
131.03459	3.8
143.03470	5.5
149.04523	5.6
159.03033	1.4
161.04570	18.2
163.11258	1.6
173.09647	2.4
179.05589	4.3
189.12849	20.7
207.13855	3.3
209.35132	1.3
221.06689	4.0
223.16951	3.0
225.14848	2.4
235.17006	1.5
267.15857	1.7
330.59766	1.3
359.82730	1.2
369.19153	21.2
387.20218	40.7
388.20590	2.6
411.20154	11.3
429.21265	100.0
430.21631	10.1
455.19208	1.7
813.19977	1.5
957.73431	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	933.3608
Annotation	Unknow
Peak:m/z	Relative Intensity
80.02702	0.4
85.48349	0.2
86.31707	0.3
108.02173	23.1
109.02504	0.6
123.03631	0.5
123.04524	9.3
124.04868	0.5
148.97182	0.2
152.01151	50.9
153.01466	1.6
167.03491	100.0
168.03842	3.7
169.04030	0.3
177.59784	0.2
235.47064	0.2
237.13429	0.3
359.82648	0.3
378.29031	0.2
459.15274	0.5
501.16129	8.8
501.23492	0.5
502.16492	0.9
553.97443	0.3
889.02759	0.3
934.55927	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.4083
Annotation	Unknow
Peak:m/z	Relative Intensity
107.06573	1.2
132.32253	1.3
140.83456	1.2
151.70663	1.0
324.99210	1.0
325.62582	1.3
438.27365	1.2
496.13727	2.1
510.15555	5.6
511.16263	7.7
523.19800	1.4
538.15106	3.2
544.16425	1.6
567.19006	1.2
570.17651	1.7
583.18231	2.0
643.20459	100.0
644.20740	18.5
931.81500	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	931.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
69.36997	1.2
69.37409	3.6
71.01398	2.9
73.02937	1.2
83.01382	1.2
87.20129	0.6
89.02444	1.7
99.04523	7.4
101.02457	3.8
107.01425	1.3
108.02176	0.8
108.57884	0.8
109.02949	1.6
119.03496	0.7
121.02917	1.1
121.75993	0.8
125.02442	3.3
137.37381	0.6
145.07733	1.6
151.00366	7.9
160.06383	4.1
161.02486	0.9
161.04565	3.3
161.07202	15.1
163.00381	2.0
173.10791	0.8
175.08746	10.3
178.99826	4.3
187.08755	2.0
189.06689	32.0
190.07033	1.9
191.54645	0.6
198.02916	0.7
199.04030	0.7
199.61613	0.6
201.10342	2.7
203.08270	14.4
203.11951	3.9
211.03909	0.6
215.08153	0.7
227.03435	1.5
229.09857	6.3
243.02931	6.4
254.02151	1.7
255.02969	16.8
256.03323	1.2
262.25763	0.6
270.01865	0.7
271.02475	37.2
272.02878	3.4
273.04187	1.1
277.11917	2.1
283.02554	1.1
299.02039	1.2
300.02750	80.4
301.03491	36.4
302.03857	1.9
305.11432	24.7
306.11688	1.8
323.12473	74.8
324.12732	4.6
365.13516	12.7
366.13788	0.7
405.16672	2.1
461.07068	0.8
463.08801	100.0
464.09039	9.4
465.09842	1.0
467.16693	31.8
468.17273	4.0
534.09692	0.8
709.52228	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	1.7
71.49708	1.3
73.67829	1.1
81.03422	2.5
83.01385	5.1
83.05058	1.1
85.02943	5.4
87.00857	1.4
93.03457	6.3
95.04993	2.0
97.02948	4.4
99.04542	1.3
101.02449	1.0
105.00243	1.0
107.05003	1.3
108.02182	2.0
109.02948	22.8
121.02949	3.8
122.03756	1.5
123.04519	15.7
125.02440	100.0
126.02815	3.0
127.03990	1.5
130.63161	1.1
130.83946	1.1
133.02977	8.4
135.04494	5.7
137.02429	25.9
139.03998	2.8
145.02916	1.7
146.03786	1.9
147.04546	1.2
149.02400	6.5
150.03249	1.9
151.03986	13.0
157.06520	1.1
159.04503	3.4
160.05157	1.8
161.02428	34.3
161.06049	4.5
162.03204	1.7
163.00385	2.7
163.04002	3.9
164.01154	5.3
165.01985	6.2
167.03430	1.2
173.04509	1.5
175.03981	12.3
177.01913	8.4
177.05583	1.6
179.03474	7.9
185.06070	1.5
187.03999	9.5
188.04741	2.3
189.05542	1.1
191.03816	2.5
191.05588	47.7
192.05907	2.7
201.05563	1.8
202.06326	2.0
203.03491	1.6
203.07085	9.8
205.01363	2.9
205.05087	7.7
213.05482	1.3
215.03391	1.9
215.07031	1.1
217.05006	2.8
221.08224	2.0
227.03520	1.1
227.07120	1.8
228.04140	2.1
229.05014	3.5
230.05743	1.5
231.02914	2.1
231.06615	1.3
243.02914	2.4
243.06532	1.1
245.04526	9.0
245.08171	15.3
246.08267	1.4
247.06042	1.3
253.05011	1.9
255.02986	11.0
256.03796	4.8
257.04510	1.4
260.16388	1.0
269.04538	2.4
273.03928	3.3
281.04544	4.6
283.02502	2.4
285.04056	3.5
287.05634	15.0
288.05936	1.3
289.07156	72.3
290.07590	6.0
297.04068	1.8
299.05621	7.5
339.08627	5.3
353.08704	3.2
381.09692	2.9
407.02133	2.0
407.07672	66.8
408.07983	8.0
425.08734	70.2
426.09082	6.9
451.04724	1.8
451.10397	22.0
452.10269	2.5
557.99615	1.3
559.12030	3.5
577.13458	54.9
578.13898	7.2
579.13831	3.0
931.81360	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	929.4028
Annotation	Unknow
Peak:m/z	Relative Intensity
67.75044	1.0
69.03461	3.3
71.01383	79.0
72.99305	3.8
73.02950	100.0
74.03300	1.4
75.00873	2.2
76.33987	1.0
81.03471	1.1
83.01393	36.6
83.01895	1.7
85.02958	17.4
87.00885	9.5
87.04527	2.1
89.02451	25.8
95.01376	5.5
96.36775	1.0
96.96021	2.7
97.02938	2.4
99.00866	1.6
99.04511	1.4
101.02448	98.1
102.02776	1.8
111.00838	1.0
111.95032	1.0
113.02457	39.1
119.03495	16.6
125.02438	3.5
126.49485	1.1
129.01979	1.2
131.03499	11.1
135.04524	1.3
136.98082	0.8
137.09731	1.2
141.01892	1.5
143.03514	12.6
149.04567	21.8
150.03323	1.1
153.87717	0.9
155.03519	2.5
159.17270	1.0
161.04564	42.4
161.09738	3.8
162.04948	1.2
165.05527	1.6
167.03938	1.1
175.07597	2.9
176.08414	4.1
179.05585	5.1
187.11290	32.1
188.11575	1.5
189.09279	2.0
190.10039	4.6
191.05615	1.4
203.05612	6.8
203.10757	2.3
204.11595	5.9
205.12340	35.5
206.12651	2.5
215.10681	2.2
221.06667	17.4
221.08762	1.4
223.13390	1.6
233.11829	21.2
234.12151	2.1
259.13373	15.8
260.13864	1.2
277.14478	20.9
278.14859	1.1
289.14645	0.9
293.14404	1.0
295.15445	1.6
319.09616	1.7
330.51843	1.1
349.16449	3.7
367.17722	5.4
385.18649	3.4
407.91644	1.0
409.18814	6.5
427.19724	40.1
428.20081	3.8
498.19022	1.3
664.64014	1.2
712.61597	1.1
929.29022	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	925.5392
Annotation	Unknow
Peak:m/z	Relative Intensity
69.42263	4.8
71.01384	27.4
72.99314	0.8
73.02955	8.5
81.03455	1.0
83.01399	3.8
83.05016	4.1
85.02951	11.3
85.74048	0.6
87.00876	1.7
89.02448	11.8
95.01392	2.9
97.02905	0.8
99.00878	2.0
101.02445	17.8
113.01725	1.3
113.02460	16.6
119.03500	6.2
122.09341	0.7
125.02493	1.1
133.01413	1.3
135.04489	0.8
137.09766	1.5
143.03474	1.8
151.07671	0.9
152.08449	1.8
153.09215	1.0
153.12950	1.0
159.04521	5.2
161.04553	3.2
162.49342	0.7
163.11299	0.9
168.51018	0.7
179.05646	1.0
179.91504	0.7
195.13835	1.5
197.15506	2.3
203.03479	2.5
205.12282	0.9
207.13832	4.1
224.17824	1.1
225.14830	16.8
311.05560	0.8
333.22955	0.7
338.40088	0.7
357.06113	2.1
369.19180	100.0
370.19504	8.4
387.20245	66.2
388.20557	5.0
407.09836	1.1
429.21286	88.3
430.21637	9.4
431.09381	0.9
433.31848	1.5
451.32904	43.3
452.33218	5.3
473.24210	0.8
768.40991	1.0
775.42157	0.8
926.02838	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
64.79562	1.7
69.03477	1.7
71.01397	8.3
71.50864	2.2
73.02964	4.5
80.22861	1.3
81.03456	1.6
85.02942	7.3
87.00896	2.6
87.04518	26.5
93.03484	3.3
97.02966	4.8
99.04519	2.6
101.02460	5.9
104.70797	1.5
111.08162	3.1
113.02466	2.7
119.03600	1.4
121.02178	1.4
121.02962	9.3
121.06625	1.7
122.03766	12.5
122.27034	1.6
123.00918	1.7
123.04571	2.3
125.02486	3.0
127.07667	1.9
133.02954	3.0
135.04544	8.1
135.08170	4.5
136.01666	20.9
137.02440	3.6
137.09715	20.7
139.07648	5.8
146.03737	2.9
149.02440	21.8
149.06065	1.7
150.03239	65.4
151.00417	4.0
151.04042	25.9
151.11282	2.8
155.10783	100.0
156.11118	3.9
159.04526	2.4
161.06079	4.2
162.03261	1.9
163.04083	2.3
163.11282	3.2
164.04793	3.3
165.05576	56.8
166.02692	9.9
167.03461	3.4
167.10835	2.0
169.12326	5.8
175.03981	4.9
177.01927	21.0
177.05588	2.0
177.09425	1.5
179.07262	3.6
179.10776	11.5
180.04282	3.5
181.05061	10.7
181.08688	8.1
190.06355	3.7
191.10832	8.5
193.12349	2.5
195.06703	19.0
195.10298	6.5
199.09775	78.0
200.10178	3.0
209.11891	1.5
213.11357	2.2
225.11195	1.5
227.04108	1.5
227.12888	1.9
237.11440	1.8
241.10843	26.9
242.11226	2.2
253.10870	8.7
255.12436	7.1
283.11880	36.2
284.12296	2.8
320.60440	1.7
335.06366	1.8
343.14001	31.1
344.14047	1.7
356.12732	1.7
357.09641	2.8
357.13501	6.2
358.10364	2.8
371.11227	4.3
372.12146	3.2
373.12967	9.6
387.14505	13.2
391.68268	1.4
442.56516	1.8
535.19708	21.5
536.19580	1.9
539.21393	10.6
569.20074	6.5
583.22040	9.6
717.22235	1.7
883.40332	2.6
927.36469	38.4
928.35876	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	921.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	9.2
72.01656	0.4
72.99317	1.9
88.19144	0.5
89.02454	1.0
95.93597	0.4
97.16119	0.3
105.03492	0.5
107.01391	0.8
107.05005	0.6
109.02973	0.5
115.00379	24.3
116.00741	0.4
120.87754	0.4
121.02931	0.5
133.01436	71.2
133.03032	2.6
134.01752	1.1
134.03699	1.6
135.04532	21.1
136.04910	0.9
151.00369	4.9
171.04523	0.4
175.00331	0.6
177.01913	2.5
178.02255	0.7
178.33527	0.4
179.00032	0.5
179.03505	17.6
180.03842	0.9
199.04047	1.1
226.02760	0.6
226.82860	0.4
227.03488	1.1
229.94940	0.5
243.02974	2.0
255.03011	1.0
260.04398	0.4
268.09341	0.4
271.02472	27.2
272.02890	1.6
295.04663	3.7
299.01971	51.5
300.02606	7.4
301.03549	25.9
302.03922	1.8
313.03653	0.7
343.04495	1.0
425.95724	0.4
462.08017	14.5
463.08823	10.3
464.08957	0.5
625.14099	100.0
626.14484	11.3
759.63202	0.4
805.18530	1.0
921.78918	0.4
949.16583	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.5646
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	1.3
71.18209	1.6
87.00889	1.5
87.17197	1.1
121.10229	16.5
127.99172	1.5
135.08096	1.2
165.06998	1.4
169.55959	1.5
171.10289	38.2
172.10602	2.2
185.11804	1.8
231.21115	3.9
275.20166	72.3
276.20517	5.3
293.21246	100.0
294.21481	7.4
295.48419	1.6
623.34692	11.7
820.47522	1.4
877.57477	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
67.35180	0.3
68.95763	0.3
69.84982	1.0
70.08127	0.3
71.01380	1.2
73.02934	0.7
81.03435	0.4
83.15550	0.3
85.02948	1.0
89.02487	0.5
95.01391	0.8
98.20581	0.3
103.05532	0.6
108.02171	28.4
109.02966	10.8
110.03322	0.5
113.02413	0.3
123.00871	1.0
123.04513	0.7
133.02959	0.5
135.04500	0.4
139.04008	1.1
147.04527	4.2
151.03999	1.3
152.01143	55.6
153.01695	2.0
163.04015	1.6
175.03989	0.3
176.01103	0.6
177.01918	2.7
179.03487	0.5
189.01926	2.4
189.03592	0.3
189.04097	0.3
190.02736	2.7
191.03493	17.7
201.01924	1.2
203.03522	1.3
215.03470	0.6
216.00598	0.3
219.02963	33.9
220.03297	1.4
223.06201	0.5
231.02945	1.3
233.04613	0.3
241.07144	3.3
243.02992	1.3
249.04053	2.1
261.04187	0.8
285.06271	0.9
335.55026	0.3
339.07272	0.8
351.60980	0.3
381.08252	9.5
382.08539	0.9
411.09027	0.7
417.10361	100.0
418.10715	7.8
419.11096	0.6
501.12485	24.5
502.13004	2.0
650.65991	0.3
830.03192	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
69.69598	2.0
70.69790	0.3
71.01385	2.0
73.02962	0.7
73.33931	0.3
73.94521	0.3
77.03980	0.5
82.74126	0.4
83.01371	0.7
84.79502	0.3
89.02425	0.4
93.03486	0.6
95.01871	0.3
97.02975	0.5
101.02422	0.7
107.01408	0.5
107.19116	0.3
107.23955	0.3
107.24688	0.3
109.02961	2.0
113.02416	0.5
119.05017	1.1
121.02940	1.7
125.02424	1.1
133.01920	0.6
133.02939	11.7
134.03639	0.3
135.04520	1.9
137.02415	0.8
147.04536	1.3
148.01622	0.4
149.02414	2.8
151.00429	0.7
152.08401	0.7
153.09219	1.5
161.02435	1.4
161.04520	0.6
163.00359	1.4
163.03999	2.6
164.01155	0.4
164.04729	0.6
165.01892	1.9
165.82838	0.3
169.18967	0.3
173.02455	0.4
175.03961	3.6
177.01912	0.7
179.03522	0.8
191.03513	1.8
193.01439	1.4
199.04001	1.1
199.07668	0.4
201.01949	1.3
203.03456	0.8
205.12338	1.0
211.04048	0.6
212.04825	0.5
213.05661	0.9
215.03494	0.4
223.06105	2.5
225.05588	0.6
227.03474	0.4
231.06532	0.4
237.05464	0.5
239.03296	0.4
240.04279	0.8
241.05051	0.7
253.05049	1.4
255.03049	1.1
255.06541	0.8
256.03702	0.5
257.04520	0.4
269.04575	1.2
281.04620	0.7
283.06186	0.4
284.03235	7.8
285.04044	6.3
286.04468	0.6
297.04028	14.4
298.04779	9.2
299.05582	17.7
300.05948	1.0
309.04156	0.7
311.05487	2.6
324.02658	0.6
325.03549	0.8
327.05075	93.9
328.05423	7.5
339.05026	2.6
341.06580	0.7
357.06137	24.1
358.06445	1.1
367.17694	2.6
367.45386	0.4
369.06204	2.4
385.18860	0.7
393.05930	1.0
427.19754	2.2
447.09296	100.0
448.09647	9.0
938.76630	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4312
Annotation	Unknow
Peak:m/z	Relative Intensity
69.99731	2.9
70.00138	5.4
71.01381	18.5
72.99328	7.8
75.00886	1.8
83.01398	3.4
85.02942	1.8
87.00846	8.5
89.02440	1.9
99.00896	9.8
101.02461	3.3
111.00880	3.8
112.98824	28.0
115.00363	17.7
124.98824	1.9
129.01988	1.9
129.82140	1.5
140.98294	1.6
142.99869	33.6
145.01445	2.0
156.00710	2.3
157.33400	1.5
161.04642	2.2
173.00916	14.5
174.01707	41.8
175.02481	34.2
176.02820	1.7
183.13881	4.6
193.12292	1.9
211.13400	100.0
212.13771	5.0
223.13387	4.2
235.13365	1.9
237.14925	2.0
245.11775	2.7
253.09309	6.8
263.12946	4.5
277.21738	75.3
278.21973	7.3
328.27881	1.5
380.77783	1.5
429.21191	2.7
447.22311	16.2
707.43787	20.5
708.44299	4.1
745.40436	3.5
763.43054	8.1
764.43256	2.7
777.44189	4.4
781.43585	3.7
803.42029	6.1
821.42877	8.4
863.44757	3.6
881.45404	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4752
Annotation	Unknow
Peak:m/z	Relative Intensity
68.65159	1.4
69.75569	6.0
71.01376	15.9
72.99307	2.1
73.02946	3.0
83.01384	2.4
85.02945	4.3
87.00888	4.9
89.02461	11.4
95.01382	1.8
97.02944	4.0
98.20583	1.7
101.02433	10.3
111.08164	4.8
113.02450	7.8
119.03492	3.5
125.02415	2.6
125.09720	1.4
154.73366	1.4
165.12790	9.9
169.12355	3.4
171.10251	2.0
183.13893	48.4
197.11842	15.1
209.11888	2.6
211.13400	5.8
227.13014	7.1
247.20700	3.3
291.19562	12.7
293.21283	4.6
294.21481	1.9
309.20752	11.6
382.55826	1.5
397.13495	7.1
415.14618	2.3
438.69821	1.8
444.82681	1.5
495.27094	1.8
625.26929	1.6
917.47491	100.0
918.47266	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	915.425
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00319	0.4
71.01382	0.9
89.02432	0.7
91.01936	0.3
101.02430	0.9
107.01381	0.8
113.02414	0.4
115.00341	0.9
121.02949	0.5
133.01447	1.8
135.00960	0.4
144.11197	0.3
144.12395	0.3
151.00409	3.6
153.94426	0.3
163.00356	0.9
176.01776	0.7
178.99847	2.9
190.02751	0.7
192.04950	0.4
203.03481	0.5
204.04733	0.4
216.04268	0.5
226.02708	3.8
227.03448	1.6
243.00494	0.6
243.02980	10.5
244.03487	0.5
247.05484	1.6
254.02170	3.9
255.02934	4.6
271.02463	40.1
272.02933	3.7
292.15363	0.4
300.02740	45.1
301.03445	9.6
302.03973	0.6
311.38385	0.3
335.03262	2.3
343.04434	0.6
369.19034	1.3
387.20071	1.1
407.19211	0.4
429.21326	0.9
439.81976	0.4
441.17700	2.1
445.04807	0.3
451.29034	1.1
453.29623	0.4
458.80399	0.3
463.08813	100.0
464.09100	10.6
497.91098	0.4
550.96106	0.4
580.32806	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4603
Annotation	Unknow
Peak:m/z	Relative Intensity
65.55519	3.5
69.48821	3.6
71.01371	13.4
71.49781	5.0
85.02950	4.0
87.00848	7.9
89.02385	4.2
99.00919	3.7
99.04941	3.4
101.02402	5.7
112.98792	5.1
129.01935	4.5
183.13922	7.9
193.12204	5.0
195.13841	13.8
202.24640	3.8
211.13391	75.2
212.13766	6.8
213.14934	14.2
223.13438	10.8
223.37862	3.4
235.08115	6.6
235.13254	3.9
241.14438	42.4
251.12778	11.4
253.09261	22.3
275.20242	3.9
293.21219	100.0
337.21603	3.7
447.22202	9.9
457.22940	4.4
477.23300	9.4
529.30255	7.8
529.71521	4.7
576.32538	4.4
576.68414	3.8
707.25342	3.8
723.44214	5.5
753.44519	23.0
754.43994	4.9
765.43201	5.7
915.45087	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4312
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01390	15.2
72.99310	8.2
83.01385	4.2
85.02937	3.2
87.00883	8.4
88.73743	1.6
89.02452	2.0
99.00893	9.4
101.02406	2.4
102.45792	1.7
111.00864	2.2
112.98814	22.5
115.00381	13.2
124.98762	1.9
129.01959	2.7
129.47227	1.8
142.99869	31.5
145.01454	2.6
156.00595	1.7
162.29115	1.7
173.00937	13.8
174.01701	35.3
175.02475	28.6
183.13763	2.2
192.85486	1.7
199.13379	5.5
205.12447	1.7
205.66373	1.8
209.11819	2.4
211.13390	67.2
212.13748	3.3
219.14000	1.6
221.59776	1.7
223.13602	2.7
235.08208	3.9
253.09242	7.2
263.12830	4.4
277.21722	100.0
278.22003	11.1
331.79373	1.6
385.11365	1.8
397.13647	4.2
447.22424	4.1
513.30566	6.7
617.64886	1.9
707.43829	13.6
708.44916	3.1
725.22681	1.8
745.41913	4.0
763.42780	11.6
777.44550	4.3
781.43768	2.5
803.42053	8.0
821.43353	6.0
863.44141	5.0
881.45197	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	915.4226
Annotation	Unknow
Peak:m/z	Relative Intensity
64.25262	1.2
66.06921	1.4
69.03452	2.2
69.26968	12.5
69.86574	1.3
71.01379	69.8
72.01720	1.5
72.99318	2.6
73.02944	51.7
75.00883	1.5
81.03434	1.7
83.01385	17.3
85.02944	24.7
85.03443	0.9
87.00866	3.2
89.02446	16.1
95.01397	6.6
96.95997	1.4
97.02974	1.4
98.19866	2.6
99.00877	5.7
101.02435	66.2
102.02799	1.7
105.95676	1.5
113.02439	33.2
115.00380	1.6
119.03448	6.5
125.02445	4.2
131.03482	4.2
135.04514	3.5
135.43813	1.5
137.09679	1.3
143.03490	7.7
149.04539	11.7
150.03239	1.5
155.03558	2.1
159.02980	3.1
161.02490	1.6
161.04558	28.8
179.03510	1.9
203.05611	2.6
209.15407	9.0
221.06569	7.3
353.19632	20.7
354.19968	1.5
371.20712	44.1
372.21078	3.4
413.21790	100.0
414.22052	8.3
475.53989	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
67.46424	1.1
98.20747	3.1
121.02916	1.8
148.01724	2.3
151.00418	6.4
153.65341	1.2
159.04507	3.6
163.00407	2.1
178.99873	4.3
203.03497	5.0
227.03549	2.5
229.95909	1.6
243.03117	7.3
243.05244	1.5
255.03020	20.5
256.03488	1.9
271.02490	37.3
272.03024	2.9
300.02753	80.0
301.03473	30.6
302.03683	1.7
391.38110	1.3
463.08600	2.6
505.09891	100.0
506.10275	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	905.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00338	0.3
68.13805	0.3
70.98598	1.0
71.01375	5.3
73.02944	1.3
77.03972	1.4
79.01906	1.0
83.01373	0.6
85.02939	2.1
89.02429	1.9
90.33208	0.3
90.94315	0.3
93.03435	1.6
93.74754	0.4
95.01390	0.7
95.04986	0.5
97.02903	0.3
97.98183	0.3
101.02453	3.2
105.03460	0.8
107.01380	0.5
113.02446	2.6
117.03461	7.1
119.03494	0.9
119.05016	0.9
121.02957	2.0
123.04507	0.4
125.02422	0.4
135.04478	2.4
136.82411	0.3
137.09760	0.4
138.06851	1.1
147.04539	0.4
148.01640	0.5
149.02443	1.2
153.09190	3.9
159.04510	1.5
161.02420	3.1
161.04561	0.8
163.00406	0.4
163.04025	3.5
165.01933	0.8
179.03435	0.9
185.02347	0.4
191.03490	1.2
193.01459	0.6
195.08144	0.5
197.06088	0.6
203.03488	0.8
207.13945	0.8
211.07635	1.0
215.07027	0.7
225.05508	0.5
225.14964	8.1
226.15277	0.5
237.05647	0.5
239.07129	1.3
243.06723	0.5
261.08453	0.3
268.03784	2.1
269.04449	1.3
271.02414	0.8
281.04581	2.8
282.05298	1.4
283.06110	44.4
284.06485	2.9
293.04599	2.1
295.06171	1.1
300.02792	1.6
301.03430	0.7
311.05594	75.3
312.05914	6.0
314.04398	0.9
323.05591	3.2
341.06613	7.1
353.06583	1.0
369.19144	16.5
370.19485	1.9
387.20221	9.2
387.24979	0.7
388.20502	0.9
429.21259	25.2
430.21585	2.9
431.09793	100.0
432.10114	9.3
609.14612	2.9
610.14880	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
63.90777	0.3
65.00320	0.7
71.01381	1.6
83.01367	0.8
93.03486	0.6
97.04131	0.3
101.02435	0.8
107.01398	1.2
108.02188	0.4
109.02926	0.5
109.75692	0.3
113.02472	0.7
115.00332	0.5
117.73538	0.4
119.03527	0.4
121.02935	1.2
132.71150	0.4
133.01414	0.6
148.01683	0.7
151.00363	6.5
157.51964	0.3
159.04520	0.5
163.00400	1.3
168.73708	0.4
169.01300	0.4
175.03999	0.7
178.98460	0.4
178.99864	3.6
179.03473	0.4
199.03918	0.7
205.08556	0.6
211.03987	0.7
219.02583	0.4
226.02760	0.5
227.03453	1.7
228.04037	0.5
229.05037	0.6
229.32950	0.5
230.47162	0.4
243.02950	4.5
244.03499	0.3
245.04594	0.8
254.02234	1.4
255.00238	0.7
255.02965	14.9
256.03479	0.5
271.02460	27.1
272.02878	2.5
273.04169	0.8
281.08075	0.6
283.02554	0.6
299.01999	0.6
300.02731	65.7
301.03455	29.2
302.03812	2.1
325.03513	0.5
431.10089	0.7
441.17551	5.2
442.17841	0.8
463.08795	100.0
464.09082	10.9
464.15710	0.5
517.25769	0.4
609.14789	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00005	0.7
65.00324	1.0
71.01368	4.8
73.02945	1.1
77.03943	2.0
85.02959	1.1
89.02433	1.2
93.03427	1.3
95.05021	3.1
101.02445	1.8
105.03461	10.2
107.01385	2.0
108.02206	1.0
109.02904	0.9
113.02422	1.8
115.00414	1.0
121.02948	1.4
123.04528	2.0
133.02960	60.1
134.03282	2.5
151.00340	7.8
161.04599	0.7
163.00380	1.0
168.30664	0.9
177.01927	47.1
178.02177	1.5
178.99821	3.8
226.02615	1.2
227.03325	1.1
229.04729	0.8
243.02991	6.7
245.04211	0.9
255.00533	1.3
255.02997	15.5
267.16025	1.8
271.02463	30.6
272.02823	2.6
293.02979	1.3
300.02722	64.2
301.03458	27.3
302.03943	1.0
380.89108	0.8
387.20239	1.0
429.21210	4.0
595.90271	0.9
609.14575	100.0
610.14819	12.2
611.14856	1.3
612.15826	0.9
613.15594	1.5
865.19885	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
69.65381	4.0
69.65797	7.1
71.01385	16.2
79.31799	1.6
90.23271	1.5
98.19989	3.1
101.02441	4.5
101.93996	1.7
102.33038	1.7
109.02971	3.0
113.02451	2.2
115.00375	17.6
118.97253	1.5
133.01474	3.4
136.41156	1.6
148.01688	1.6
174.03278	3.2
177.01947	1.9
189.05524	2.5
200.63326	1.6
201.01851	3.2
201.91005	1.8
209.49138	1.9
211.03947	2.2
223.08064	1.7
225.01994	8.7
227.03583	2.4
227.07106	7.3
228.07463	2.4
241.05023	2.3
243.02963	2.0
245.08144	3.6
255.02979	3.2
256.03827	2.1
269.00925	25.6
270.01477	2.6
282.01563	3.9
283.02505	8.7
284.03259	4.9
285.04019	1.8
329.02954	3.1
345.03952	4.9
346.04614	2.2
361.03381	9.4
362.04071	2.9
363.05240	3.5
373.03543	30.2
374.03943	4.8
375.05237	1.7
389.02939	17.1
390.03693	11.3
391.04663	5.5
407.13531	5.0
418.03281	72.5
419.04044	42.8
420.04294	3.4
433.05798	3.2
434.06586	2.1
727.15173	31.1
728.15747	3.3
743.18054	5.4
787.17285	100.0
788.17548	21.6
903.17896	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	903.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
69.17802	4.5
69.18210	1.2
71.01376	6.5
72.99297	1.0
80.68492	0.6
89.28092	0.5
93.03445	1.1
96.12238	0.5
108.02181	0.9
109.02940	1.7
115.00369	11.5
121.02949	2.8
123.00883	1.5
124.01656	1.1
133.01431	12.0
133.02899	1.3
134.03719	1.4
135.04501	1.0
137.02394	1.1
139.04063	0.7
148.01680	1.9
149.02403	1.6
152.01137	3.5
159.04526	1.0
161.02437	0.9
163.03993	1.0
167.03485	5.7
171.04517	1.0
175.03949	1.9
177.01909	4.5
179.03363	0.8
185.06052	0.8
189.01782	0.6
189.05539	0.7
193.05020	3.5
197.06091	1.1
198.03157	0.9
199.04005	2.0
201.01921	0.7
209.06140	0.6
211.03969	1.6
213.01997	0.8
213.05548	2.1
217.05147	1.2
223.03999	5.9
224.04692	0.9
225.05539	2.7
226.02750	1.0
227.03519	1.3
228.04135	0.5
229.05048	0.9
235.03989	0.8
239.03491	4.7
240.04126	2.2
241.05023	7.1
242.05632	1.9
243.02994	1.2
251.03510	2.1
253.05086	1.2
254.02065	0.8
255.03044	3.1
256.00159	1.9
256.03592	0.9
257.04453	0.8
266.02222	2.3
267.02966	10.5
268.03494	1.1
269.00928	3.0
269.04510	8.8
270.04996	1.2
271.02435	0.7
279.02933	3.0
280.03534	1.3
281.04263	0.8
283.02365	0.9
284.03217	3.0
285.03983	8.4
295.02487	1.4
296.02921	0.7
297.04105	3.9
298.04785	1.2
301.05106	1.1
303.06528	0.8
304.07486	0.8
308.03287	1.0
313.03455	2.1
315.06592	1.0
317.04590	0.6
317.08133	0.6
318.05457	0.6
324.02823	0.7
329.04456	1.1
330.05215	0.9
331.05737	0.9
332.06653	0.6
343.06058	1.7
344.07086	0.7
345.07623	0.9
346.04849	0.6
347.05685	4.1
348.05881	0.7
359.05634	2.5
371.05640	2.1
375.04767	0.9
381.08319	0.9
387.05017	2.3
388.05807	2.4
389.06549	1.9
416.05383	16.5
417.05978	6.7
419.04169	2.5
434.06433	29.9
435.07089	13.8
593.15338	1.6
676.45752	0.7
725.17267	14.2
726.17493	2.4
743.18256	100.0
744.18542	15.5
769.15887	4.4
770.16626	0.8
787.17700	1.7
819.00366	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4805
Annotation	Unknow
Peak:m/z	Relative Intensity
70.98140	2.2
71.01383	12.4
71.05026	2.1
72.99304	1.4
83.01363	0.9
83.05025	1.6
85.02938	2.9
87.00876	3.2
89.02443	6.8
97.02962	4.7
97.06618	2.2
97.84225	0.8
99.00889	13.1
101.02430	5.2
109.06647	0.8
110.03715	1.0
111.20576	0.8
113.02429	3.0
119.03481	1.6
123.08144	1.1
125.09704	6.4
135.08258	0.9
136.05269	1.4
145.10184	0.9
153.12839	1.0
161.04552	1.2
163.11287	8.2
171.10326	4.4
177.03334	2.9
179.05472	0.9
181.12344	13.8
199.13402	9.6
207.10271	26.8
207.12215	1.8
208.10574	1.0
215.13097	0.9
221.06636	3.3
223.13490	0.8
225.11340	38.3
226.11649	2.1
241.14368	1.6
243.12393	22.0
244.12581	1.2
277.21744	12.5
397.13239	4.4
415.14352	1.7
445.83078	0.9
512.23730	0.9
623.25586	1.4
641.26971	2.4
901.48071	100.0
902.48505	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	901.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	16.9
72.99281	1.9
73.02946	3.4
73.92567	1.4
83.01379	2.0
83.05018	1.6
84.63400	1.5
85.02950	3.5
87.00867	4.8
89.02444	10.4
97.02934	2.8
101.02449	12.3
111.08128	2.4
113.02434	5.5
113.33637	1.4
119.03474	3.1
125.02406	3.2
142.80391	1.9
143.03526	2.6
143.04607	5.7
143.99094	1.6
155.51443	1.4
161.04573	2.0
165.12756	9.1
172.71587	1.5
177.03418	9.9
183.13889	55.7
184.14201	3.3
195.13872	5.3
221.06638	1.6
223.13435	3.0
227.12842	6.0
235.08043	1.9
275.20096	2.5
293.21240	21.3
294.21606	2.0
345.86496	1.5
397.13510	8.3
411.81030	1.5
415.14639	2.7
609.57825	1.8
774.27228	1.7
792.41779	1.6
901.47937	100.0
902.48358	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	901.4796
Annotation	Unknow
Peak:m/z	Relative Intensity
63.11350	0.9
64.62205	0.6
69.03469	0.9
71.01377	12.3
71.05009	4.4
72.99307	1.0
73.02925	2.5
81.25906	0.7
82.39874	0.8
83.01363	2.1
83.04987	0.8
85.02940	3.4
87.00856	2.6
89.02441	7.2
95.01359	0.8
95.05042	1.2
97.02958	4.1
97.06573	3.2
98.20763	1.3
99.00881	17.4
101.02430	6.8
107.05029	0.8
109.06567	1.3
110.03715	0.8
113.02468	4.2
119.03459	1.4
123.08187	1.5
125.02441	2.6
125.09731	8.0
135.08171	1.4
136.05284	0.9
142.02725	1.3
161.04433	0.9
162.10172	0.7
163.11296	10.5
171.10274	4.6
177.03459	1.4
181.12341	12.8
182.12566	0.9
197.11937	0.9
199.13425	5.7
207.08388	1.3
207.10254	21.6
221.06595	0.8
225.11307	29.4
226.11691	1.8
235.08286	1.3
243.12332	12.6
247.96793	0.7
277.21716	24.4
277.24811	1.3
278.21942	1.6
333.26520	0.9
397.13474	4.3
542.72174	0.7
580.09558	0.9
623.25311	1.2
641.26514	1.9
901.47931	100.0
902.48431	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	899.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01898	0.3
69.03453	0.2
69.61135	0.3
69.61544	0.6
71.01381	0.6
73.02956	0.2
81.03439	0.2
83.05020	0.2
85.01195	0.1
85.02948	6.3
87.00870	1.4
90.70715	0.2
93.03455	3.1
99.04496	0.3
108.02180	1.2
109.02978	0.7
110.46988	0.1
111.04535	0.7
117.40916	0.1
117.61583	0.1
123.04520	0.6
125.02450	0.5
127.04005	1.6
129.74020	0.2
133.02954	1.1
135.04570	0.4
137.02452	0.4
151.03931	0.2
152.01138	2.6
159.04449	0.2
161.02429	2.7
167.03485	4.3
168.03836	0.2
171.02985	0.6
173.04588	1.3
173.05923	0.2
177.01926	0.5
179.03441	0.5
191.05598	100.0
192.05934	3.3
193.05005	0.2
203.07129	0.2
235.60469	0.1
271.06125	0.2
272.50925	0.2
289.07141	1.0
337.09314	0.6
353.08734	19.8
354.09067	1.5
407.07687	0.2
435.10413	0.3
501.16397	0.3
515.99323	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00291	0.6
71.01385	0.7
83.01395	0.5
89.02476	0.4
106.06461	0.4
107.01382	1.8
108.02177	0.7
109.02943	0.8
121.02928	0.9
135.00887	0.5
148.01659	0.7
151.00365	7.2
153.54321	0.4
161.02452	3.7
163.00328	1.3
165.02086	0.5
174.17766	0.5
178.99857	3.2
190.99748	0.5
211.03995	0.8
226.02711	1.2
227.03444	1.6
235.60001	0.5
243.03000	4.1
244.03462	0.6
245.04645	0.7
245.09436	0.6
254.02185	1.3
255.02972	15.6
256.03308	1.3
271.02460	29.2
272.02905	2.7
300.02731	57.7
301.03452	26.1
302.03790	2.0
429.20758	0.6
456.77588	0.5
609.14575	100.0
610.14880	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	897.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03459	1.8
69.26192	8.6
69.26608	2.8
71.01382	100.0
72.99308	5.8
73.02944	48.2
75.00862	2.1
83.01390	13.1
85.02950	23.5
87.00874	3.9
89.02444	85.3
90.02759	1.8
95.01397	8.4
97.02947	2.7
98.19935	3.1
101.02441	71.6
113.02448	46.8
119.03498	41.0
125.02413	3.0
131.03520	6.8
143.03487	15.4
149.04515	7.2
149.58173	1.2
161.02544	7.4
161.04552	29.9
173.09727	1.8
175.03955	2.8
179.05609	37.1
185.02376	2.4
189.01944	20.0
189.12868	10.4
190.13132	1.3
203.03540	3.4
203.05510	2.8
207.13992	2.6
216.21742	1.5
221.06653	3.2
223.17017	1.8
225.14940	2.0
243.06583	15.5
261.07623	22.2
357.06314	2.1
369.19302	8.8
370.19107	1.6
387.20242	24.1
388.20486	1.9
405.11646	2.9
411.20255	4.5
423.07153	3.2
423.12936	64.0
424.13327	5.5
429.21301	46.3
430.21729	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	897.339
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01369	10.3
71.08999	2.1
73.02930	4.0
78.87881	2.3
81.03486	3.5
83.01312	2.3
85.02935	5.9
89.02426	4.3
99.04514	100.0
99.43920	2.1
101.02436	24.8
113.02438	7.6
124.89181	2.0
125.02444	63.5
138.06813	7.5
143.03470	9.0
153.09227	18.8
159.04556	3.9
161.04558	5.2
165.07498	2.5
198.39137	2.4
207.13904	3.4
225.14932	33.8
294.58389	2.0
294.61734	2.3
336.97046	2.2
369.19098	17.0
387.20212	24.7
429.21298	38.3
430.21426	5.2
469.24600	3.0
487.25656	14.9
488.25861	2.6
531.24457	99.4
532.24841	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	895.5435
Annotation	Unknow
Peak:m/z	Relative Intensity
68.66483	0.7
69.03442	1.9
69.16171	7.2
71.01385	41.7
72.99306	2.7
73.02955	9.1
75.00883	2.2
83.01389	11.4
84.02151	0.7
85.02957	13.2
87.00879	58.9
89.02445	28.9
95.01389	5.2
97.02953	2.5
99.00887	2.2
101.02443	23.6
111.00876	1.4
113.02454	31.0
115.04005	1.7
119.03508	9.9
121.10195	1.6
125.02438	2.7
129.01929	2.1
131.03511	3.1
139.07599	1.1
141.01961	3.4
143.03499	9.2
148.41257	0.7
152.27255	0.8
154.27452	0.7
159.03003	1.0
161.04567	12.9
171.10303	3.7
179.05612	13.4
194.42194	0.9
209.59285	0.7
232.85841	0.8
255.21167	1.1
261.22192	0.7
273.22296	4.7
275.20129	7.1
277.21725	100.0
278.22098	6.6
291.23318	23.6
292.23642	1.8
293.21204	8.9
301.21658	2.4
319.22787	14.5
320.23126	1.3
323.09827	43.0
324.10239	2.0
341.10883	88.3
342.11160	4.8
349.23926	2.2
379.24673	0.8
442.60928	0.9
469.53159	0.9
579.27002	0.8
601.32288	23.2
602.32770	2.7
624.68414	0.9
634.47363	0.8
905.66132	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	892.455
Annotation	Unknow
Peak:m/z	Relative Intensity
62.84058	40.9
71.01385	43.9
71.41839	49.8
87.16523	41.2
119.75016	39.0
171.10307	99.3
205.15923	71.9
277.21896	100.0
355.66339	40.1
397.13327	52.5
424.55078	51.7
687.82532	41.6
731.46973	44.7
737.82202	50.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02388	0.7
65.00315	0.7
67.92976	0.5
71.01384	1.0
71.50304	0.8
72.23158	0.5
83.01408	0.7
85.02964	0.4
89.02449	0.8
106.06686	0.6
107.01389	1.5
108.02146	0.7
109.02973	1.0
113.02406	0.7
115.00348	0.5
121.02930	1.6
122.06107	0.7
124.07660	0.7
130.04182	1.1
132.04564	5.6
133.01450	0.5
133.05301	1.0
134.06075	0.9
148.01671	0.6
151.00363	6.6
156.00581	2.5
159.04523	8.4
160.04839	0.8
161.02399	0.6
163.00365	1.9
165.04303	3.4
174.01683	3.1
178.99857	2.9
189.01808	0.6
198.42891	0.4
203.03510	7.1
204.03925	0.7
205.03896	0.5
209.03258	0.7
211.04265	0.7
214.12343	0.6
215.11884	1.5
226.02589	0.6
227.03474	1.6
229.04933	0.6
243.02922	6.4
245.04414	0.6
254.02280	0.9
255.02957	14.1
256.03287	0.6
257.12924	2.9
271.02457	30.6
272.02942	2.7
283.02176	0.8
287.16611	0.5
299.02051	0.6
300.02731	69.4
301.03455	27.6
301.11780	1.1
302.03812	1.5
332.61295	0.5
333.80716	0.4
345.10880	10.2
346.11176	1.5
365.08734	1.3
421.89798	0.6
463.08856	2.0
505.09848	100.0
506.10153	11.6
506.17575	0.7
529.22919	0.5
622.47260	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.5162
Annotation	Divinylchlorophyll a
Peak:m/z	Relative Intensity
61.98824	6.5
65.01694	1.3
71.01381	18.9
71.33805	2.9
73.02954	3.1
83.01376	2.4
85.02934	4.3
87.00857	3.0
89.02444	12.3
95.01379	1.7
97.02962	2.8
99.00895	3.0
101.02455	10.8
105.47786	1.5
113.02444	5.6
119.03474	3.5
125.02448	3.3
127.78708	1.3
140.27760	1.5
161.04465	2.5
165.12830	5.1
172.94429	1.5
179.05606	2.1
183.13890	46.7
184.14229	2.6
191.56331	1.4
201.50114	1.3
208.67766	1.6
209.11844	2.1
227.12871	4.5
235.08148	1.8
235.11496	1.4
271.81131	1.7
281.24835	60.9
282.25125	4.4
332.16534	1.4
338.15863	1.6
397.13651	8.4
415.14532	2.3
889.51563	100.0
890.51965	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	891.5322
Annotation	chlorophyll a
Peak:m/z	Relative Intensity
65.16832	1.1
69.22455	2.8
69.22859	10.0
71.01377	18.2
73.02952	3.1
83.01369	2.4
85.02930	4.1
87.00880	2.7
89.02449	12.7
97.02962	1.5
99.00878	1.8
101.02440	14.2
113.02435	5.3
119.03466	3.4
125.02455	3.6
143.03436	2.3
161.04532	1.5
162.41138	1.3
165.12862	6.9
183.12219	2.3
183.13873	46.0
184.14217	2.8
199.16516	1.5
221.06543	2.1
227.12820	2.2
235.08038	1.6
252.65080	1.4
266.98706	1.5
283.26416	67.1
284.26727	4.8
397.13672	8.5
415.14410	2.8
645.96478	1.5
873.75281	1.5
891.53168	100.0
892.53790	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	892.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01391	12.5
71.50155	13.4
78.95906	33.5
89.19066	9.0
92.54878	8.2
110.98548	12.9
113.36584	10.5
130.94926	10.8
152.66711	10.5
161.02489	11.1
167.01131	26.8
171.10315	15.3
172.10562	11.7
244.48364	11.1
277.21725	100.0
278.22073	41.7
280.72180	8.9
380.12314	10.0
381.31693	10.6
400.70624	10.6
445.23737	51.4
446.23962	40.0
486.52191	9.6
611.79077	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	889.4799
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	4.2
71.01381	18.1
72.99309	1.1
73.02940	3.6
81.03477	0.9
83.01376	2.2
85.02943	4.5
87.00875	5.3
89.02447	14.7
97.02926	2.4
98.20776	2.1
99.00787	1.0
101.02436	11.9
112.18972	1.0
113.02445	7.7
114.73212	1.1
116.92841	1.2
119.03474	3.6
125.02453	8.3
125.11174	1.1
127.11233	2.2
132.48811	1.0
143.03439	2.5
159.19427	1.1
161.04535	5.3
171.10255	100.0
172.10568	4.1
179.05553	2.9
235.08237	6.7
277.21695	76.4
278.22083	6.7
287.07693	2.4
305.08563	1.6
323.09860	1.9
336.05539	1.2
379.12372	18.7
397.13474	49.6
398.08340	0.9
398.13736	4.3
415.14548	9.5
491.14188	1.0
551.23315	2.2
569.24298	2.6
580.03271	1.0
657.34924	2.4
675.35590	3.6
689.42175	1.0
769.05804	1.1
806.93579	1.2
889.50208	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	889.4803
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	5.0
69.03430	1.2
71.01387	15.1
71.20315	1.5
73.02944	3.0
77.09818	0.8
81.03474	0.8
83.01402	2.3
85.02945	3.8
87.00901	4.9
89.02448	13.1
89.62297	0.9
95.01414	1.3
97.02956	1.8
101.02438	11.5
103.24421	1.0
113.02459	6.7
115.04010	1.1
116.92860	2.4
119.03523	2.9
125.02442	7.1
125.09734	1.1
127.11282	1.8
139.04091	0.8
143.03476	2.0
147.17474	1.0
161.04561	4.0
171.10274	100.0
172.10612	3.4
179.05620	4.4
183.13939	1.0
217.07150	1.3
221.06731	1.1
221.23340	0.9
235.08279	4.7
253.09315	1.2
277.21732	61.8
278.16412	0.9
278.22107	3.9
287.07721	3.3
305.08777	2.8
323.09897	1.3
379.12436	15.1
397.13519	42.5
398.13681	2.4
415.14545	7.9
551.23352	3.4
552.73004	1.0
562.39905	1.1
569.24506	3.5
627.82367	0.9
675.36151	2.3
889.49243	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	887.4994
Annotation	astaxanthin dirhamnoside
Peak:m/z	Relative Intensity
61.98831	100.0
69.03445	1.3
69.69769	3.2
69.70177	1.8
71.01383	16.2
72.99312	1.2
73.02936	2.9
79.95731	1.9
80.96503	2.4
81.11620	1.0
83.01369	2.1
85.02953	4.5
87.00876	4.4
87.99760	0.9
89.02442	12.2
95.01363	1.4
97.02958	2.5
101.02451	11.9
111.08134	0.9
113.02412	4.9
119.03495	2.6
125.02435	2.7
143.03502	1.5
159.23143	0.9
161.04462	2.2
165.12805	5.9
179.05620	1.2
183.13901	41.0
184.14256	2.2
186.70195	0.9
221.06732	2.0
227.12885	3.2
235.08189	2.1
246.70575	0.8
279.23285	57.7
280.23648	4.4
297.32895	1.1
299.02618	1.0
369.64178	0.9
397.13440	9.1
398.13602	1.8
415.14572	1.2
607.26324	1.7
869.50586	1.0
887.50031	97.6
888.50336	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	886.5173
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
63.62100	0.1
69.72535	0.5
69.72945	0.2
71.01394	0.6
80.96506	0.2
89.02450	0.3
101.02476	0.2
107.17746	0.1
135.84015	0.2
151.39923	0.1
183.13890	1.6
187.56459	0.1
227.13107	0.2
253.79977	0.1
279.23306	0.9
373.73999	0.1
394.46222	0.2
397.13605	0.3
887.50067	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	887.356
Annotation	Unknow
Peak:m/z	Relative Intensity
64.71826	1.5
68.83504	1.3
70.25352	4.0
71.01008	2.2
71.01388	28.8
73.02960	7.2
81.03440	2.4
83.01382	3.1
85.02946	10.9
87.00887	1.7
89.02434	7.6
93.05858	1.4
95.01389	2.8
97.02947	1.5
98.19969	1.6
99.00902	3.1
99.04524	100.0
100.04831	1.8
101.02448	38.2
113.02454	16.4
119.03474	2.5
125.02454	57.8
126.02734	2.2
137.09688	1.5
138.06920	6.2
143.03497	9.3
153.09216	21.7
159.03032	1.4
161.04576	7.6
201.12755	1.4
205.37912	1.4
207.13951	3.0
225.14955	35.1
226.15486	1.7
253.55191	1.3
269.10257	11.5
311.11383	25.5
351.14386	3.6
369.19211	59.6
370.19565	7.3
387.15305	1.5
387.20184	29.2
388.20563	4.0
413.09149	2.9
413.14517	45.6
414.14920	3.0
429.21283	87.9
430.21606	9.9
651.98682	1.5
738.87952	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4853
Annotation	Microtoenin A
Peak:m/z	Relative Intensity
61.98834	9.2
62.28114	0.6
69.03458	1.8
70.91004	1.4
70.91360	1.0
71.01009	1.2
71.01385	19.1
72.99307	1.5
73.02943	3.6
83.01396	2.4
83.05011	0.8
85.02956	4.1
87.00883	3.7
89.02446	14.0
95.01404	1.3
95.05006	0.6
97.02927	1.8
99.00880	1.8
101.02444	11.8
111.08163	0.8
113.02447	6.2
119.03527	3.5
125.02482	3.5
131.03470	0.7
143.03505	1.5
152.10190	0.7
161.04535	1.8
165.12875	7.3
179.05621	2.9
183.13904	48.7
184.14232	2.4
209.11836	1.4
219.04521	0.7
221.06657	2.9
227.12880	3.8
235.08206	2.1
277.21735	48.3
278.22049	4.6
297.57385	0.6
379.12671	1.0
397.13525	12.5
398.13809	0.9
415.14514	2.5
440.12314	0.7
440.39597	0.8
551.09674	0.8
587.69720	0.7
607.26068	1.4
625.27185	1.0
885.48523	100.0
886.48828	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	883.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
61.60995	4.7
69.22323	42.2
101.02451	4.9
114.55556	4.5
117.03417	9.9
135.04535	9.2
159.04526	32.2
203.03500	27.5
211.60703	4.4
283.06134	33.2
291.55542	5.0
311.05573	71.2
312.05936	6.3
323.05661	8.5
341.06659	12.7
348.40274	4.6
395.21487	5.1
413.08792	15.6
473.10913	100.0
474.11313	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	883.5426
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
71.01385	13.1
85.02938	4.9
87.75301	5.0
142.99876	7.9
150.01344	4.8
150.91621	3.9
171.10252	15.6
173.00990	5.7
174.01657	7.2
175.02493	5.7
184.76530	4.1
211.13414	17.0
235.08298	20.1
245.07791	4.9
253.09261	25.9
277.21698	78.5
278.22244	5.7
279.23322	20.2
309.20584	9.4
316.39801	5.0
327.21783	58.3
368.79028	4.5
392.35156	4.5
503.51978	4.6
513.30939	5.1
545.30115	9.7
765.44580	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	885.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
69.46196	0.8
69.46606	0.4
71.01379	11.3
72.99302	2.4
87.00876	0.5
88.39697	0.2
89.02441	1.6
98.20630	0.4
107.05045	0.5
115.00369	36.3
116.00729	0.6
117.03439	0.2
129.01920	0.5
133.01425	100.0
134.01749	1.8
134.03772	1.8
135.04517	27.0
136.04895	1.1
136.25092	0.2
147.02959	0.3
161.02451	3.3
170.24771	0.2
177.01930	0.4
177.29738	0.2
179.03488	38.1
180.03859	1.5
193.05048	2.1
295.04562	23.4
296.04932	1.4
309.06110	4.3
310.06461	0.3
368.13528	0.3
409.20026	0.2
473.23038	0.8
589.23987	12.5
590.24341	2.2
638.23505	0.2
823.52161	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4846
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98799	0.8
62.40295	0.7
63.98418	0.8
67.03531	0.6
69.79211	3.6
71.01379	16.9
72.99296	1.9
73.02932	3.3
75.00843	0.8
83.01379	1.8
85.02933	4.7
87.00860	3.4
89.02437	14.8
95.01372	1.3
97.02938	2.1
97.06619	0.9
98.20693	0.7
99.00855	0.8
101.02432	12.2
113.02463	5.4
119.03477	2.9
125.02447	3.7
143.03448	2.1
161.04523	2.0
165.12849	7.8
179.05585	1.6
183.13885	65.2
184.14214	3.8
221.06673	2.7
227.12851	5.5
235.08151	2.2
257.68811	0.9
268.80563	0.7
277.21707	28.2
278.21991	2.9
296.51950	0.7
379.12457	1.2
396.41412	0.7
397.13474	8.3
415.14691	2.1
592.36218	0.8
607.25702	1.5
625.26843	2.9
885.48468	100.0
886.48889	21.6
913.19128	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.4537
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01882	0.9
68.74432	0.7
69.03461	1.3
70.97947	2.2
71.01383	18.0
72.99308	10.0
73.02955	1.7
75.00877	1.4
83.01401	4.2
85.02936	1.8
87.00869	10.4
89.02435	3.4
96.99298	1.5
99.00880	8.7
100.31315	0.8
101.02420	3.2
111.00871	4.7
112.17419	0.8
112.98802	21.6
113.02447	1.8
113.99628	0.7
115.00370	15.8
120.76072	0.7
124.98798	3.0
129.01915	2.0
142.99854	28.1
144.00262	0.9
145.01402	2.2
156.00627	3.3
157.01352	1.3
161.04494	1.6
173.00897	9.9
174.01671	38.5
175.02460	25.3
176.02812	1.2
183.13867	3.3
193.12343	1.5
205.12311	1.6
211.13376	77.3
212.13684	3.4
219.13904	1.0
223.13329	3.9
225.15065	0.9
233.11853	1.6
235.08186	6.8
235.13571	0.8
237.14951	1.3
239.12730	1.1
245.11839	2.7
251.12877	1.6
253.09225	10.6
261.11383	1.0
263.12863	4.4
277.21701	100.0
278.22098	9.5
322.33063	0.8
429.21179	2.6
447.22363	5.0
448.22827	0.9
468.30579	0.9
513.30701	2.2
555.33624	0.8
641.44318	0.8
707.44049	2.0
708.44098	1.2
735.42975	1.3
745.41583	2.8
746.42126	1.3
747.43365	1.1
759.42694	1.7
763.42834	9.7
764.42523	1.0
777.44659	1.2
781.43250	1.0
803.42645	4.5
804.41565	1.3
821.43402	4.9
845.43787	0.9
863.45636	1.9
881.45502	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	877.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
69.54515	0.2
71.01404	0.3
71.50447	0.3
82.98813	0.2
83.01385	0.2
83.85970	0.2
95.05006	0.2
117.03458	1.0
123.04465	0.9
130.04228	0.3
133.02950	4.0
149.64760	0.2
159.04492	2.0
161.02431	100.0
162.02774	4.6
167.03609	0.2
203.03468	1.6
252.68111	0.2
557.05585	0.2
669.93201	0.2
724.65338	0.2
761.42358	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
69.54515	0.2
71.01404	0.3
71.50447	0.3
82.98813	0.2
83.01385	0.2
83.85970	0.2
95.05006	0.2
117.03458	1.0
123.04465	0.9
130.04228	0.3
133.02950	4.0
149.64760	0.2
159.04492	2.0
161.02431	100.0
162.02774	4.6
167.03609	0.2
203.03468	1.6
252.68111	0.2
557.05585	0.2
669.93201	0.2
724.65338	0.2
761.42358	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.4954
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	5.5
65.67757	1.3
70.70844	3.4
71.01384	10.3
71.05003	2.2
73.02967	1.9
80.88422	1.4
85.02961	3.6
87.00870	2.2
88.45084	1.7
89.02455	8.3
97.02944	4.3
97.06622	1.8
99.00870	16.5
101.02431	6.7
109.32816	1.5
113.02428	2.1
123.08145	3.0
125.09714	8.6
131.24591	1.4
132.54883	1.4
142.02718	1.8
163.11272	10.9
181.12325	14.9
199.13347	6.4
207.10223	23.1
222.14238	1.3
225.11295	26.8
226.11769	2.3
243.12323	11.1
255.23283	35.7
256.23630	3.5
256.56354	1.6
268.53830	1.5
273.61826	1.7
316.39871	1.5
397.13202	3.5
445.91501	1.7
447.80551	1.7
511.05594	1.7
879.49640	100.0
880.49731	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	881.4536
Annotation	Unknow
Peak:m/z	Relative Intensity
61.82037	0.8
61.98823	7.6
69.12583	0.8
71.01381	17.7
72.99306	11.5
73.02946	0.9
75.00871	2.4
83.01385	2.8
83.05033	1.3
85.02932	1.8
87.00874	11.3
89.02448	3.2
94.75681	0.9
99.00878	11.2
101.02444	3.1
111.00883	3.0
111.29831	1.0
112.98811	23.9
113.02438	1.8
113.99598	1.1
115.00372	18.9
124.98840	2.3
127.00437	0.9
129.01950	1.9
142.99858	29.5
145.01402	2.0
155.67250	0.9
156.00615	3.1
173.00916	11.6
174.01683	40.4
175.02458	28.8
179.05627	1.0
183.13863	5.1
199.85477	1.0
205.12302	2.1
207.14021	1.0
211.13385	100.0
212.13757	5.4
223.13341	5.7
225.14909	1.1
229.44392	1.3
233.11827	1.5
235.08160	1.7
237.11363	1.3
237.14897	2.8
239.12816	1.1
245.11783	2.8
251.13042	2.0
253.09235	8.0
253.14491	1.4
263.12875	4.9
266.16360	0.9
277.21713	71.8
278.22086	6.4
291.70444	0.9
429.21246	1.9
447.22281	11.3
475.38727	1.0
485.20184	1.0
499.22211	1.2
513.30957	1.6
707.44104	1.9
735.43134	1.4
745.41962	3.5
759.43646	2.1
763.42700	6.9
764.43768	2.0
777.44128	2.7
781.44604	1.2
801.44189	1.2
803.41864	6.1
804.42645	1.6
821.43176	3.5
845.43469	1.1
863.44391	2.6
881.45624	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	873.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	1.5
71.01400	2.9
71.51675	0.9
73.02943	1.7
83.01382	1.0
89.02456	1.0
95.01392	0.9
96.96016	2.1
99.00887	0.7
100.83394	0.6
101.02428	1.9
101.93191	0.5
112.37704	0.6
113.02470	0.9
115.00391	1.2
119.69966	0.6
130.04187	0.8
131.28029	0.5
133.02962	0.9
137.06029	0.7
146.03712	0.7
147.04524	3.5
158.17172	0.6
159.04518	3.9
160.58194	0.6
161.04396	0.5
166.39684	0.5
172.05302	1.8
173.06046	6.0
174.06688	1.4
175.04024	3.4
178.02686	1.8
185.06081	4.0
186.06839	0.8
187.07620	3.2
189.09180	2.4
199.07703	0.9
203.03545	0.8
213.09221	1.1
225.06050	0.6
315.10239	2.4
317.08228	1.4
331.09680	4.1
332.10498	5.1
333.10757	0.7
347.12869	100.0
348.13232	8.3
375.15988	4.5
376.16251	0.9
381.08273	1.1
401.13937	0.8
430.67770	0.7
445.12955	26.1
446.13242	2.4
450.44193	0.8
463.14090	4.4
505.15485	0.7
607.18201	20.6
608.18506	3.9
625.19165	30.0
626.19513	4.4
667.20251	3.2
668.20508	1.3
854.90472	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
61.35299	0.8
61.48982	1.1
61.98831	10.4
69.03442	3.6
69.22887	8.3
70.91133	0.8
71.01380	87.6
72.01687	1.4
72.99301	5.0
73.02944	100.0
75.00886	1.2
82.16145	0.8
83.01382	34.6
84.01773	1.0
85.02949	10.6
87.00882	2.9
89.02436	15.6
93.38266	0.9
95.01393	2.3
96.95995	3.2
97.02961	1.7
101.02441	91.1
102.02755	2.0
113.02449	30.4
119.03517	9.4
125.02449	5.1
131.03497	8.5
132.32677	1.1
136.05362	1.0
143.03503	9.6
147.04480	3.4
149.04547	15.4
155.03468	3.6
157.02931	4.8
159.04538	5.0
161.04552	23.7
165.09149	2.4
172.05305	1.9
173.06076	1.8
178.02795	1.3
185.02454	1.6
185.06010	4.0
187.07697	1.8
203.03522	2.5
203.05568	4.1
221.06667	6.4
311.79065	1.0
315.10208	1.9
317.08093	1.2
331.09839	3.2
332.10480	3.9
347.12845	79.0
348.13266	8.7
445.12909	70.9
446.13290	10.0
550.80695	1.1
625.19244	12.3
625.39844	1.7
626.19501	1.7
655.16376	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	873.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	12.8
62.69432	0.9
69.03443	4.9
69.13916	10.0
71.01381	97.0
72.01723	1.6
72.02280	0.9
72.99313	4.0
73.02945	99.2
74.03297	2.0
75.00872	3.5
81.03455	1.7
83.01387	35.4
85.02946	10.7
85.99969	1.1
87.00864	3.0
89.02441	16.5
95.01386	3.5
96.96006	2.7
97.02945	3.1
98.20701	1.8
99.00852	1.7
101.02441	100.0
102.02805	1.6
113.02450	32.6
114.02779	1.0
119.03496	9.3
125.02415	6.7
131.03520	9.9
135.04552	1.9
136.05258	1.1
143.03500	9.1
147.04536	2.5
149.04573	12.4
149.05807	1.7
155.03496	4.0
157.02913	5.1
159.04501	5.1
161.04538	23.8
162.04840	1.3
165.09233	1.4
172.05249	1.7
173.06035	1.9
178.02698	1.1
185.02438	2.2
185.06100	4.0
186.06866	1.3
187.07661	3.0
197.05936	1.1
203.03583	2.3
203.05550	3.4
221.06633	5.4
253.05031	1.2
315.10184	1.7
331.09619	2.8
332.10486	2.9
333.10950	1.1
347.12833	84.4
348.13187	7.9
375.15714	1.1
401.13791	1.4
445.12903	68.3
446.13223	8.0
455.31033	1.1
625.19177	14.7
625.39966	1.6
626.19733	2.2
769.45258	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	3.0
71.49900	0.7
71.50253	0.8
85.02946	0.7
99.85711	0.6
115.00375	1.8
117.03467	4.7
120.04252	0.7
133.01442	1.5
133.02950	1.2
134.03746	15.6
135.04546	1.0
137.02405	0.8
149.02521	1.1
149.06075	1.1
161.02386	1.1
167.03487	0.8
175.03984	0.9
178.02696	1.1
191.03529	1.0
193.05051	20.2
201.01848	0.9
203.03418	1.1
210.04825	0.6
221.04504	0.8
223.05826	0.7
233.04718	0.8
276.09555	0.7
283.06015	1.1
295.06216	1.6
296.06992	0.7
297.07675	8.7
298.07758	0.8
307.06091	1.1
309.06546	1.1
311.05551	2.4
323.05463	1.2
325.07220	4.0
327.05417	0.9
328.05814	1.5
335.05478	1.3
337.07217	1.8
353.06635	22.5
354.07153	1.4
365.06653	2.2
383.07654	15.3
384.08389	1.5
395.07574	1.3
413.08789	2.5
425.08762	0.9
443.09729	3.5
447.09018	1.0
473.10818	3.6
563.14014	100.0
564.14526	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	871.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	1.9
67.57969	0.7
68.70213	0.7
69.24812	0.6
71.50603	0.7
75.75434	0.5
96.96012	1.1
130.03404	0.6
130.04222	3.6
149.94156	0.6
173.02414	2.0
174.03210	17.7
175.03450	1.1
185.03717	0.7
186.79192	0.6
206.02196	19.9
211.13368	2.4
229.08673	100.0
230.08983	7.5
235.23662	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
64.33748	0.2
64.86422	0.3
71.49834	0.3
75.39651	0.2
82.84496	0.2
157.21832	0.3
184.70361	0.2
221.51588	0.2
446.52930	0.2
872.49365	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
71.49869	0.4
80.70646	0.2
85.64588	0.2
93.56177	0.2
163.97284	0.2
243.12875	0.2
277.21786	0.3
281.62650	0.2
343.41309	0.2
374.14944	0.3
873.47772	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	17.3
71.49801	1.6
72.99305	3.1
81.03465	1.1
83.01389	2.9
87.00861	1.0
89.02431	2.7
95.05025	1.8
97.02937	2.4
105.03445	1.6
107.05015	1.6
109.02958	9.9
115.00375	40.8
121.02953	2.1
123.04550	6.4
125.02452	53.6
130.15721	1.0
133.01439	100.0
133.02905	10.1
134.01762	1.9
134.03691	3.2
135.04533	30.3
136.04813	1.3
137.02457	11.6
139.03960	1.8
149.02437	3.0
151.04013	6.8
159.04483	2.2
161.02438	16.4
161.06088	3.2
162.03293	1.1
163.04015	3.0
164.01085	2.1
165.01874	3.4
167.03448	1.2
175.04004	5.4
177.01955	9.1
178.02293	2.8
179.03523	24.0
180.03790	1.1
187.04015	3.7
188.04677	1.4
189.05672	1.0
191.05600	9.7
202.06438	1.0
203.07115	5.1
205.01369	1.4
205.05029	5.0
217.05115	1.4
229.04988	1.6
243.02902	1.0
245.04527	4.9
245.08151	6.8
255.02982	5.9
256.03729	2.6
269.04633	1.9
269.68958	0.9
273.04095	2.1
281.04535	2.1
284.03152	1.2
285.03842	1.4
287.05676	7.1
289.07187	35.2
290.07446	3.0
295.04535	3.7
299.05594	3.5
339.08710	3.1
381.09604	1.0
407.07748	34.2
408.07941	3.6
419.71329	0.9
425.08804	37.5
426.09094	5.6
451.10345	12.8
520.44696	1.0
559.12354	1.7
566.65112	0.9
577.04126	1.6
577.13422	29.2
578.13593	4.9
598.25452	1.0
653.10114	1.0
776.71844	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	873.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
62.63921	0.9
71.01381	15.2
72.49693	1.1
72.99313	1.6
73.02946	1.4
89.02429	1.8
93.03444	1.4
101.02433	1.4
115.00367	30.4
117.03451	4.9
119.05028	17.3
124.92252	1.1
133.01428	94.7
134.01718	1.6
134.03741	18.7
135.04483	1.2
137.02522	1.2
149.06087	2.4
159.04532	3.4
163.03999	25.9
175.04025	1.9
191.03386	1.2
191.05513	1.4
193.05043	26.8
199.49561	1.0
201.01976	1.6
203.03473	2.1
269.10837	1.2
279.05042	3.5
282.05399	1.5
283.06067	2.7
285.04080	2.1
295.06113	2.3
297.04001	4.5
297.07660	8.6
298.04874	14.4
309.04031	5.5
309.07275	1.4
311.05658	2.4
325.07138	2.4
327.05127	6.6
337.07025	1.8
339.05051	1.8
345.10992	1.3
353.02795	2.6
353.06680	19.0
354.07117	2.6
357.06158	2.9
358.05560	1.2
365.06409	2.2
383.07739	15.4
384.08163	1.4
413.08862	1.5
429.08215	1.2
443.09827	5.3
473.10669	9.4
563.14014	100.0
564.14331	10.8
593.15088	44.7
594.15265	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	871.3822
Annotation	Unknow
Peak:m/z	Relative Intensity
61.05366	0.4
61.98824	1.4
65.60141	0.4
69.03445	0.8
71.01385	10.4
71.50150	0.4
72.99313	0.5
73.02956	4.4
75.00916	0.5
80.53625	0.4
83.01379	1.6
85.02953	3.7
87.00886	2.1
89.02456	2.8
95.01418	0.7
96.96009	1.3
97.02958	0.6
99.00903	0.4
101.02448	5.9
104.81497	0.4
106.47704	0.4
113.02463	3.2
119.03529	0.8
124.01682	0.5
125.02430	1.2
128.54787	0.4
135.04475	0.4
137.02449	0.5
137.76398	0.4
144.05663	0.4
157.12329	0.4
169.12282	0.4
177.01917	0.7
185.11771	0.6
227.07184	0.4
228.65909	0.4
329.23337	1.2
357.26431	4.9
358.26660	0.6
373.26019	0.9
375.27515	13.2
376.27899	1.3
387.27859	0.4
389.29034	0.5
417.28625	0.5
450.22992	0.4
501.30658	1.5
511.22870	0.4
519.31757	10.2
520.32281	1.3
537.32782	18.8
538.32947	2.3
561.32678	7.4
562.33044	0.8
577.32538	1.3
578.32574	1.5
579.33826	100.0
580.34149	14.1
621.35089	0.5
827.41229	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.3814
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	3.5
64.59332	0.6
65.33440	0.5
69.03457	1.0
69.13612	2.0
69.14033	4.6
71.01378	10.2
72.99297	1.3
73.02948	8.3
73.85188	0.6
75.00851	0.8
83.01376	1.3
85.02965	3.9
87.00875	2.6
89.02454	3.1
95.01382	0.9
96.96013	1.4
99.00879	1.2
99.04459	0.5
101.02444	5.9
111.34038	0.5
113.02435	4.0
116.92841	1.6
119.03509	0.7
124.01627	0.6
125.02456	2.2
143.75290	0.7
160.15053	0.6
161.04556	0.9
165.01967	0.7
169.12247	0.8
171.10286	0.6
177.01935	0.7
180.04285	0.6
185.11795	1.2
227.07155	1.4
286.82861	0.7
329.23395	1.2
339.25449	1.0
357.26337	7.2
358.27014	0.7
373.26144	0.7
375.27512	12.5
376.27823	1.5
501.30554	1.6
519.31702	11.2
520.31909	1.6
537.32727	15.1
538.33252	2.2
561.32678	7.6
562.33051	1.2
579.33820	100.0
580.34155	16.1
621.34784	1.5
663.34949	0.8
871.31055	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	0.8
69.03444	1.4
69.11771	0.5
71.01374	9.0
71.50654	0.7
72.99285	0.7
73.02948	4.8
75.00861	0.6
82.73658	0.5
83.01382	1.7
85.02952	3.5
87.00868	2.1
88.98830	0.6
89.02435	2.8
95.01382	0.7
96.96027	1.0
97.02914	0.6
98.18178	0.5
99.00846	0.6
101.02431	5.7
113.02428	2.4
125.02467	1.1
125.09740	0.7
126.46951	0.6
127.38240	0.6
155.10780	0.7
159.04567	0.8
161.04651	1.2
161.06046	7.9
171.10228	2.4
185.11827	1.3
187.03917	1.0
205.05025	7.6
215.12825	1.6
238.83080	0.5
254.46797	0.6
272.75589	0.7
272.94522	0.6
285.20575	0.6
343.24838	1.1
355.24905	5.3
357.26340	0.9
373.25821	9.5
374.26260	1.6
396.12515	0.6
499.28915	1.5
500.29041	0.6
517.30139	7.2
518.30548	1.2
533.69037	0.6
535.31177	14.0
536.31458	2.0
559.31274	7.1
560.31586	0.9
577.32220	100.0
578.24402	0.5
578.32483	14.8
619.33240	1.9
698.80066	0.7
707.24005	1.0
717.94965	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.506
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
78.56796	0.2
81.21636	0.2
90.66499	0.3
156.22769	0.2
173.38121	0.2
177.18555	0.2
210.05147	0.2
211.13371	0.3
277.21805	0.3
279.23517	0.3
527.83051	0.2
851.69690	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
61.01812	3.1
61.41728	2.2
61.98830	3.2
63.79169	2.1
71.01384	75.6
71.50290	4.8
72.01740	5.3
73.02948	57.3
74.03266	3.6
75.00906	3.1
83.01394	12.9
84.01733	2.9
85.02966	23.7
87.00880	5.6
89.02454	28.6
95.01402	5.8
97.02941	3.2
99.00903	3.5
101.02451	70.1
102.02806	4.6
107.05033	5.0
113.02460	41.7
119.03519	9.6
125.02447	4.4
131.03497	3.1
133.01520	3.1
137.09749	4.2
143.03522	5.2
149.04564	6.7
149.06020	3.2
161.02408	2.7
161.04561	20.5
163.11305	5.3
173.02463	11.4
174.03230	35.0
177.85132	2.3
179.05630	2.9
181.12242	2.3
187.11275	3.8
189.05542	20.9
196.17915	2.3
201.01936	7.1
205.12329	18.0
206.12679	10.3
207.13863	6.5
219.13718	2.3
221.06769	3.6
225.15021	15.6
233.04552	59.2
234.04903	7.3
261.38647	2.7
315.53098	2.1
369.19183	100.0
370.19470	10.1
387.20172	38.4
388.20651	2.3
395.09964	3.5
408.01102	2.4
429.21265	95.5
430.21478	9.8
710.16589	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	866.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
64.77668	0.3
71.01391	0.3
98.20685	0.5
102.28381	0.3
190.15091	0.3
229.01968	0.3
316.23840	0.3
318.04434	0.3
408.72037	0.3
618.89520	0.3
711.23206	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03460	3.8
69.33672	7.9
71.01389	69.0
72.01714	1.6
72.99322	2.7
73.02951	100.0
75.00884	0.9
83.00920	1.9
83.01394	30.4
85.02956	9.8
85.06596	1.3
85.25318	0.9
87.00881	3.0
89.02451	15.7
90.67944	1.1
95.01388	3.0
97.02962	1.9
97.06548	1.3
98.19860	1.7
98.46763	1.0
101.02449	91.8
102.02764	2.4
107.05035	12.0
109.02950	1.1
111.00857	1.2
111.04497	1.3
113.02459	28.7
117.85925	1.0
119.03496	7.4
123.04527	1.2
123.08112	1.8
125.02476	4.6
131.03497	8.9
135.08208	1.7
137.06065	2.4
143.03491	7.3
147.08171	2.6
149.04631	11.7
149.05933	8.0
155.03490	4.0
157.92108	1.2
161.04576	23.6
162.06834	1.2
163.11285	15.7
173.02466	7.1
174.01764	1.6
174.03214	20.9
177.12880	2.5
187.11261	5.8
189.05585	11.8
201.01930	8.5
203.05624	3.5
205.12334	85.6
206.12653	3.6
221.06657	3.0
223.13441	5.1
233.04544	35.0
234.04895	2.0
385.18777	2.1
395.09827	1.8
423.20840	1.0
427.19629	2.0
575.30786	1.4
802.80817	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	864.3861
Annotation	Unknow
Peak:m/z	Relative Intensity
60.54501	0.1
61.98828	100.0
62.98534	0.2
63.55357	0.1
71.01404	0.2
83.40856	0.1
96.96009	0.2
118.63824	0.1
174.01654	0.2
211.13516	0.5
213.15013	0.2
288.35373	0.2
523.44446	0.2
610.90570	0.2
645.75848	0.2
657.35132	0.2
658.35962	0.4
864.46558	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.5318
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	3.7
69.03464	0.8
71.01372	4.2
74.37981	0.7
79.95742	1.2
79.97316	0.8
80.96515	2.9
83.05056	0.7
84.94427	0.6
85.02949	1.6
87.00902	1.6
89.02434	3.0
97.02941	3.5
98.20744	1.8
101.02435	3.5
113.02429	2.3
118.96338	0.8
123.15550	0.8
125.02383	0.8
137.09674	1.2
150.02194	0.7
161.04553	1.6
165.12848	3.1
171.10300	4.2
171.89441	0.8
179.05630	0.9
181.12306	1.4
209.11780	1.0
211.13364	1.7
223.13385	1.0
227.12872	2.7
235.08215	7.0
247.20700	2.5
253.09288	12.8
264.29007	0.7
273.18652	1.4
277.21710	100.0
278.22040	8.8
291.19653	30.7
292.20013	2.5
309.20685	58.9
310.20932	4.9
504.16748	1.0
513.30908	0.9
516.14246	0.8
527.28821	1.0
545.29858	1.8
569.41937	1.0
578.92957	0.8
586.87769	0.8
590.57727	0.7
865.49677	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	861.413
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01706	8.9
68.18288	1.9
69.02026	1.7
69.03437	2.1
69.53360	3.2
69.53770	9.0
69.57174	2.0
71.01389	55.5
72.99309	2.7
73.02951	38.6
77.98633	2.1
78.95675	2.0
83.01379	9.8
85.02962	20.6
85.91614	2.1
87.00893	3.0
89.02455	29.9
95.01375	6.3
96.13604	2.2
96.96021	9.9
98.20631	3.8
101.02451	50.7
113.02454	32.0
119.03531	14.5
131.03488	4.1
138.01976	4.1
138.05618	3.0
139.02122	2.4
140.63382	2.1
143.03473	5.9
148.01527	2.1
149.04532	6.1
161.04550	23.8
167.27779	2.2
179.05539	3.0
189.12820	6.0
203.05565	3.7
221.06635	7.9
225.14929	7.4
369.19055	13.5
387.20239	100.0
388.20615	8.4
429.21259	46.6
430.21698	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	863.5004
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98810	1.8
69.03457	1.3
69.40461	1.2
69.40865	3.5
71.01381	20.0
72.99291	1.9
73.02951	3.3
73.12023	0.5
83.01380	2.1
83.05025	0.8
85.02963	4.7
87.00887	3.4
89.02444	15.0
95.01371	1.6
97.02933	2.5
98.20677	0.6
99.00880	2.4
101.02444	13.2
111.08225	0.7
113.02451	7.0
119.03495	3.3
125.02467	4.5
143.03474	1.1
149.04436	0.8
151.16974	0.8
154.24763	0.6
161.04559	2.7
165.04327	0.5
165.12846	6.4
179.05565	1.9
183.13895	64.3
184.14244	3.8
190.29776	0.6
199.13248	0.9
209.11804	0.7
221.06660	3.2
224.62814	0.5
227.12892	6.3
235.08263	1.3
255.23271	36.7
256.23639	3.4
379.12326	2.0
397.13498	10.0
398.14044	0.7
415.14551	2.5
558.68762	0.7
607.25818	1.6
625.27094	1.8
734.88141	0.6
863.50055	100.0
864.50366	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5011
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03447	1.3
71.01384	18.1
71.18522	0.8
72.99328	1.1
73.02950	2.9
75.00890	0.5
81.03457	0.6
83.01395	2.3
85.02956	4.9
87.00890	3.5
89.02454	15.9
95.01411	1.2
97.02963	2.2
99.00897	0.7
101.02444	11.6
111.08193	1.0
113.02463	6.6
117.16833	0.5
118.37476	0.6
118.68080	0.5
119.03504	3.4
125.02433	3.4
131.03529	0.5
143.03487	1.1
144.62381	0.5
161.04430	1.2
165.12823	6.3
175.02087	0.5
179.05647	2.5
183.13908	45.5
184.14198	2.5
190.36583	0.6
209.11903	0.7
221.06618	2.2
227.12881	2.4
235.08189	1.7
255.23297	58.3
256.23599	4.6
379.12610	1.2
397.13553	9.9
398.13641	0.7
415.14609	2.0
607.26166	1.4
625.26788	0.7
845.49310	0.8
863.50098	100.0
864.50531	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	858.5366
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	4.5
63.15160	2.2
71.38628	2.9
73.12254	2.4
79.40307	2.2
80.96481	2.7
82.95422	23.2
84.00909	100.0
84.86113	1.9
84.95125	9.0
89.39681	2.2
122.97578	4.5
217.59895	2.6
277.21698	62.8
278.21985	3.3
329.05789	2.3
375.37808	2.8
617.04388	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	859.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
69.15460	6.8
70.97491	7.5
70.97827	10.6
71.01359	7.4
74.37612	7.2
116.92895	7.1
130.42166	6.4
171.10304	8.5
211.13347	16.9
235.08163	18.6
253.09283	29.3
276.79800	7.6
277.21710	92.4
278.22223	8.7
309.20718	14.3
327.21707	100.0
328.02890	7.2
328.22110	10.4
335.96249	7.3
545.29028	9.0
563.30768	14.8
859.49780	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	855.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
69.20693	11.3
71.01386	14.6
72.99302	1.2
88.55129	1.0
89.03999	1.3
98.20747	1.5
101.02401	1.3
108.01469	2.0
108.02171	21.3
110.82739	1.3
115.00381	11.8
117.03456	2.4
123.04539	8.7
133.00476	1.7
133.01430	26.2
134.03740	49.2
135.04045	1.9
136.75931	1.2
149.06041	3.8
151.59398	1.2
152.01158	39.0
153.01503	1.8
156.60667	1.2
167.03494	100.0
168.03824	3.8
178.02638	3.2
193.05051	72.6
194.05370	4.8
309.06064	4.2
327.04889	1.8
447.09247	2.1
501.16058	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	855.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	0.9
69.03432	0.7
69.24226	1.3
69.24634	3.2
71.01382	13.0
72.01724	0.6
72.99315	0.9
73.02943	3.8
75.00865	0.5
83.01385	2.3
85.02944	5.5
87.00874	2.7
89.02425	2.6
95.01386	1.4
96.96028	0.6
97.02913	0.9
98.19826	1.0
101.02441	5.7
113.02436	3.8
119.03499	0.9
124.01651	1.2
125.02425	1.2
141.12923	0.5
161.04599	0.7
174.49278	0.5
188.69829	0.5
194.51892	0.5
207.53253	0.5
295.11105	0.5
313.23932	3.0
341.26993	3.7
342.27356	0.9
357.26288	0.8
359.27988	14.7
360.28281	1.6
453.82281	0.6
503.32227	9.9
504.32483	1.5
521.33289	22.5
522.33539	3.2
534.93066	0.7
545.33130	5.7
546.33582	1.4
562.33252	0.8
563.34320	100.0
564.34656	16.1
605.35309	1.7
647.36938	0.7
665.37872	1.0
707.38678	1.3
725.39764	1.7
767.40649	15.3
768.40826	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	857.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
66.91586	0.1
68.16206	0.1
71.01385	11.2
71.32665	0.1
71.49934	0.2
72.01740	0.2
72.99312	2.1
81.03447	0.1
83.01366	0.3
87.00886	0.4
89.02446	1.6
89.03997	0.1
91.05546	0.2
93.03481	0.3
95.01391	0.1
95.05042	0.3
97.02956	0.4
105.03439	0.3
107.05027	0.4
108.02162	0.1
109.02959	1.8
115.00379	33.2
116.00709	0.7
117.03473	0.3
121.02973	0.4
123.04532	1.1
125.02446	2.1
133.01439	100.0
134.01776	2.4
134.03783	2.2
135.04530	25.3
136.04863	0.9
137.02444	1.5
139.04044	0.3
146.03757	0.2
149.02443	0.3
151.04019	0.6
159.04546	0.3
161.02466	0.4
161.06102	0.5
162.03175	0.1
163.04001	0.2
164.01155	0.9
165.01938	0.5
167.03481	0.1
168.91222	0.1
175.03978	0.2
177.01949	1.3
178.02316	0.4
179.03506	26.1
180.03841	1.0
185.06111	0.1
187.04031	0.3
188.04771	0.2
195.03136	0.1
202.06248	0.1
203.07176	1.1
205.01370	0.2
205.05086	0.6
212.04884	0.1
221.08260	0.1
227.07173	0.2
245.08144	1.5
246.08467	0.1
271.06137	1.6
273.07660	0.3
289.07184	12.2
290.07602	0.8
295.04581	3.3
296.05035	0.3
329.06763	0.1
358.11746	0.1
407.07675	1.0
409.09464	0.2
425.08853	0.4
435.10849	1.3
543.13110	0.4
561.13989	2.5
562.14850	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	0.7
62.27452	0.3
62.53536	0.3
69.03465	0.6
69.33204	1.5
69.33640	1.7
71.01380	8.4
72.99306	0.6
73.02943	4.1
75.00858	0.5
83.01405	1.8
85.02945	3.5
87.00883	1.4
89.02434	1.5
95.01384	0.6
97.02950	0.7
98.19865	0.7
99.00856	0.7
99.79292	0.4
101.02441	5.1
105.64409	0.4
113.02465	2.4
124.01608	0.8
125.02438	1.2
131.35181	0.4
139.11307	0.5
161.04486	0.6
162.02126	0.4
170.61057	0.4
174.03223	1.0
206.02284	0.9
229.08676	5.5
229.66997	0.4
309.24216	0.8
311.22214	1.2
311.25668	0.5
321.24121	0.4
323.25873	0.6
325.23990	0.5
327.25342	3.8
334.91998	0.4
339.25354	5.6
340.25500	0.6
341.27036	2.5
357.26440	16.8
357.30887	0.8
358.26724	1.7
371.28497	0.6
399.27588	0.6
489.30481	0.4
501.30698	6.3
502.31015	1.5
519.31683	18.7
520.31927	2.3
543.31610	7.0
544.32129	0.6
561.32751	100.0
562.33063	14.7
603.33728	1.2
785.16699	0.5
826.95703	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.43408	0.6
61.98816	2.5
69.03443	0.9
70.51167	0.9
70.51507	1.2
71.01382	9.8
72.99284	1.6
73.02949	5.1
81.03459	0.6
83.01386	3.2
83.04999	0.9
83.07272	0.7
85.02963	3.2
87.00876	2.9
89.02453	2.9
96.95999	2.4
97.02961	1.1
99.00887	0.9
101.02448	5.9
112.12486	0.7
113.02457	4.5
116.92860	1.0
119.03489	1.2
125.02464	1.2
133.01411	0.9
159.04507	1.6
161.04642	0.8
176.85574	0.6
185.11795	1.3
210.89607	0.6
288.83362	0.6
297.24081	0.7
299.01889	2.4
309.24277	0.9
325.23914	1.0
327.25424	3.7
339.25342	7.7
340.25781	0.9
357.26431	14.6
358.26868	1.5
494.86136	0.9
501.30719	9.0
502.31165	1.4
519.31702	16.7
520.31982	2.7
543.31836	5.7
544.32416	0.8
561.32751	100.0
562.33179	13.6
603.33588	1.7
765.39490	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.4883
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98843	2.4
63.96239	2.3
70.56592	2.1
71.01391	7.9
73.02957	3.0
73.09720	1.0
78.98598	6.6
79.95740	18.2
80.96522	100.0
81.03412	1.6
82.96086	1.3
85.02938	3.9
87.00858	3.5
93.97299	1.5
94.98093	26.6
96.96007	1.9
101.02434	3.7
106.98100	2.8
122.97599	6.0
125.02417	2.5
134.97557	5.9
136.99121	1.7
145.41914	1.3
148.99181	9.8
152.98663	8.5
164.98647	13.5
206.99689	1.7
225.00746	20.4
255.23314	2.0
537.27399	1.4
591.24548	1.9
847.48755	93.9
848.49200	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	850.4953
Annotation	Unknow
Peak:m/z	Relative Intensity
60.38895	0.3
61.98826	100.0
71.49865	0.5
76.50062	0.3
80.96526	0.4
93.65602	0.3
130.17461	0.3
155.45483	0.3
161.88666	0.3
189.44904	0.3
222.69299	0.3
229.09978	0.3
284.86200	0.3
343.84799	0.3
393.05441	0.3
423.23434	0.3
759.47784	0.4
787.39471	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.511
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
62.98513	0.1
71.36088	0.2
92.06025	0.1
111.30037	0.1
179.45068	0.1
196.79765	0.1
262.94022	0.1
501.28806	0.1
667.65674	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	852.5111
Annotation	Unknow
Peak:m/z	Relative Intensity
61.41997	0.2
61.98827	100.0
69.14895	1.0
69.15319	1.3
79.95757	0.3
80.96507	1.4
94.98134	0.3
106.66978	0.2
122.01747	0.2
196.72824	0.3
225.00876	0.3
337.74384	0.3
385.47415	0.3
517.03156	0.3
517.84839	0.3
537.09985	0.3
771.07648	0.3
845.83160	0.3
853.47839	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	36.0
71.01373	3.6
73.02929	1.3
77.03979	1.5
81.03484	0.8
83.01363	0.8
85.02927	1.2
93.03458	1.8
96.96005	0.9
97.02905	0.8
98.20681	1.9
99.04519	33.2
100.04812	0.8
101.02432	9.7
102.20274	0.8
105.03469	1.0
113.02472	1.6
116.01767	1.4
117.03465	9.2
119.05030	1.5
121.02943	3.3
123.04527	11.5
125.02445	16.2
126.02708	0.8
133.03020	0.8
135.04514	3.0
137.02446	0.9
143.03505	1.8
145.02945	1.0
147.04607	1.1
149.02434	2.9
159.04520	2.2
161.02441	3.5
161.04613	0.7
163.04018	3.7
165.01868	1.1
178.01785	2.0
179.03529	1.2
191.03424	1.9
197.06151	0.9
203.03534	0.8
209.05995	1.1
211.07628	0.8
215.06996	0.9
225.14964	1.4
239.07156	1.8
256.66605	1.0
268.03815	2.2
269.04495	2.5
269.10300	3.2
278.75308	0.7
281.04532	2.9
282.05292	2.4
283.06125	46.6
284.06451	3.0
293.04605	2.6
311.05606	84.3
311.10812	6.2
312.05975	5.4
323.05585	3.9
327.10666	1.0
341.06708	6.4
351.14377	1.3
369.19229	2.6
387.20184	1.5
390.66943	0.8
413.14548	8.0
429.21268	3.0
431.09814	100.0
432.10175	10.4
433.09744	0.8
566.62518	0.8
718.34369	0.8
772.38098	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	21.5
61.98835	6.6
71.01393	24.5
71.49515	3.1
76.51384	2.6
80.96516	7.0
85.02962	6.3
87.00881	7.9
88.98800	3.9
89.02438	16.0
97.02967	3.7
101.02446	9.6
113.02442	4.6
119.03540	2.7
125.02462	4.4
143.49176	2.6
161.04617	3.6
179.05571	4.5
187.33553	2.3
263.07733	2.5
275.16858	2.5
315.27066	3.2
325.25146	4.1
341.24597	3.1
359.25934	5.2
369.24426	5.7
387.25513	10.5
397.13321	7.9
405.26611	22.0
686.06891	2.7
785.39612	100.0
786.39868	17.7
845.53705	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	845.5127
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.8
61.98830	100.0
63.90881	0.6
71.01391	2.4
72.81048	0.5
80.96520	1.3
85.03040	0.5
89.02457	1.5
97.06599	2.2
98.19932	1.3
99.00943	0.6
101.02465	1.3
103.92027	0.5
113.02442	0.8
117.01893	0.6
123.08162	0.9
125.09720	13.5
132.15594	0.7
162.78056	0.6
180.54753	0.5
187.09752	10.9
193.61501	0.6
216.08723	0.5
222.75923	0.6
277.21774	1.9
585.24249	1.5
782.51465	4.5
783.52252	1.0
845.44983	12.9
846.45618	4.2
876.97174	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.3
61.22854	0.1
61.98795	0.1
65.00315	0.2
77.60464	0.1
85.79104	0.1
89.02493	0.1
94.38072	0.1
101.03973	0.2
111.10677	0.1
115.00474	0.1
117.03463	5.3
118.03816	0.2
118.86182	0.1
119.05034	0.6
120.80740	0.1
127.86227	0.1
129.03452	0.2
145.02937	2.9
146.03325	0.2
147.04515	1.5
157.02913	0.4
163.04016	1.8
173.02432	3.8
173.03918	0.2
174.03224	1.0
189.01900	0.3
189.05679	0.5
191.03519	0.5
199.10976	0.1
201.01918	100.0
202.02251	6.1
202.04146	0.2
206.28616	0.1
233.04527	1.4
243.02975	0.2
326.65393	0.1
830.66663	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	843.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	2.3
65.17019	0.6
67.83292	0.5
71.01376	6.2
72.14008	0.6
72.99311	1.4
73.02933	0.9
78.14400	0.5
93.03453	0.6
102.89288	0.6
111.07677	0.5
115.00369	12.6
117.03461	2.0
119.05012	9.9
121.41757	0.5
133.01430	38.0
133.06535	0.6
134.01735	0.8
135.04521	1.3
147.04517	0.6
161.02492	1.1
163.04001	9.0
177.05577	0.8
191.03464	1.4
193.04919	0.6
203.03535	0.8
220.56604	0.6
225.05719	0.6
279.05099	1.0
282.05353	1.1
283.05936	1.8
295.06125	1.9
296.06854	1.8
297.07651	9.6
298.08051	0.7
301.74426	0.8
307.06165	0.8
309.07825	1.4
311.05637	2.0
312.06418	0.7
323.05536	2.3
324.05942	1.0
325.07056	4.5
328.05948	1.6
328.09998	0.7
335.05829	0.7
337.07111	1.8
353.06635	20.4
353.10358	0.7
354.06979	2.1
365.06622	3.3
383.07706	13.2
384.07986	1.4
389.62793	0.7
395.07748	2.1
395.86157	0.6
413.08752	2.3
425.08725	1.5
443.09860	7.4
444.10052	0.8
472.38849	0.7
473.10901	4.3
563.14032	100.0
564.14398	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.0
67.64522	0.5
71.49583	0.8
76.34104	0.4
77.03960	0.7
83.01369	0.8
105.03462	0.9
107.01384	0.8
109.02956	2.1
119.05013	1.0
121.02929	1.3
123.00865	0.7
125.02460	1.1
133.02950	11.4
134.03720	0.6
135.04507	1.4
145.02950	0.6
147.04509	0.8
148.90192	0.5
149.02420	2.4
151.04015	0.6
161.02428	1.4
163.00336	0.9
163.04008	2.4
164.04778	1.0
165.01927	1.8
171.04510	0.5
173.02373	1.0
175.03954	2.2
177.01892	1.0
191.03430	1.4
193.01382	1.7
199.04018	1.7
201.01888	3.0
205.55942	0.5
211.03941	0.5
213.05513	1.2
223.06104	2.1
225.05424	0.7
227.03403	0.9
227.07043	0.6
229.05070	0.6
240.04181	0.9
241.04990	1.3
242.02142	0.6
243.06482	0.5
253.04993	1.5
255.02917	0.7
255.06590	1.4
265.05096	0.6
269.04443	1.0
270.05606	0.4
281.04492	0.6
284.03247	9.0
285.03986	7.1
297.04025	14.7
298.04721	9.7
299.05582	17.8
300.05951	1.9
309.04047	0.7
311.05594	2.0
325.03433	1.1
327.05060	100.0
328.05423	10.4
328.09158	0.9
339.04980	3.5
341.06738	0.9
345.01172	0.5
357.06122	26.2
358.06519	3.0
369.06006	2.4
393.06134	1.5
447.09283	94.0
448.09616	9.8
511.79587	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01707	1.3
65.80566	0.6
69.59258	2.6
71.01377	24.2
72.99300	1.3
73.02940	15.8
74.00016	0.5
83.01381	4.8
85.02939	6.1
87.00868	0.6
87.50547	0.5
89.02441	10.7
95.01409	2.0
97.02950	0.6
98.19961	0.7
99.00894	1.3
101.02438	17.0
102.02807	0.6
107.95293	0.6
113.02441	13.0
114.70983	0.6
119.03519	3.4
123.37576	0.5
125.02463	0.6
129.24910	0.6
130.04266	1.2
131.03540	1.3
143.03526	1.6
149.04582	2.0
153.09239	1.3
159.04498	7.3
160.04915	0.8
161.04544	5.9
164.87514	0.6
165.12830	0.7
179.05630	0.9
203.03528	6.8
221.06720	1.1
225.15022	0.7
227.16539	5.6
369.19305	0.9
371.20700	34.9
372.21152	3.1
387.20691	0.6
389.21823	8.1
430.21667	1.1
431.22800	34.2
432.23380	3.8
489.31110	0.6
551.04071	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4869
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98808	26.7
70.44999	21.5
70.45329	44.8
80.96508	20.5
93.56429	20.5
108.52431	17.8
112.78658	19.6
168.83459	21.0
244.07356	20.9
277.21753	100.0
278.21860	21.8
279.18213	22.3
293.21133	21.4
309.20642	54.9
841.49182	55.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.204
Annotation	Unknow
Peak:m/z	Relative Intensity
64.14787	0.5
70.25056	1.0
71.01379	10.7
72.99310	2.5
89.02473	1.4
107.05104	0.6
108.02173	21.9
115.00367	31.0
116.00731	0.9
119.05005	1.2
123.04530	9.1
133.01427	92.2
133.03018	3.3
134.01790	2.3
134.03716	1.8
135.04520	23.3
136.04877	0.7
152.01144	47.1
153.01492	2.2
162.30507	0.5
163.03967	1.8
167.03487	100.0
168.03821	3.8
177.01933	1.9
178.02235	0.8
179.03496	20.8
180.03784	0.9
208.27022	0.6
295.04520	2.4
339.17007	0.6
501.16141	6.1
502.16296	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	841.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	38.8
61.98830	4.1
63.05111	0.6
69.12979	5.2
71.01381	8.8
72.99306	0.8
73.02953	10.3
74.47893	0.5
83.01408	3.0
85.02975	1.4
89.02443	2.0
95.01385	0.7
98.19930	1.1
99.34657	0.6
101.02449	8.0
113.02443	3.1
119.03481	1.4
131.03589	0.7
133.01419	0.9
143.03523	0.8
149.04611	1.7
159.04442	1.2
161.02475	0.6
161.04555	3.5
174.03239	0.9
177.01860	0.6
181.61024	0.5
211.04001	28.3
212.04449	2.3
221.06641	1.3
225.05580	1.5
227.07146	100.0
228.07498	7.2
229.08650	2.7
245.08138	2.2
295.16953	0.7
378.79349	0.6
449.14532	8.2
450.15109	1.1
517.15204	0.6
540.94836	0.7
737.17499	0.8
846.97552	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01699	1.0
70.13477	0.6
71.01376	16.2
71.50363	1.0
72.99306	1.3
73.02941	17.3
74.03304	0.5
75.00893	0.5
83.01395	4.4
85.02946	5.0
87.00868	1.1
89.02436	4.6
95.01402	0.8
97.02903	0.7
97.16696	0.5
99.00892	1.3
101.02442	19.3
111.06769	0.6
113.02438	8.3
113.03145	0.8
118.90091	0.5
119.03519	2.8
125.02485	0.7
130.04271	2.0
131.03534	1.2
135.59601	0.6
143.03500	1.9
149.04581	2.8
149.06020	0.8
155.03470	0.7
159.04509	11.3
160.04918	0.7
161.04550	8.0
163.11302	1.2
178.70308	0.5
179.05533	0.7
179.10777	0.7
181.12485	0.6
203.03548	9.7
203.05655	2.0
204.03816	0.6
205.12387	0.8
207.13942	1.9
221.06763	1.5
223.13490	0.6
225.14931	3.3
249.06192	0.7
259.85214	0.6
365.08987	1.4
369.19125	5.6
370.19467	1.0
387.20224	9.0
408.00131	0.6
429.21335	15.0
430.21820	2.4
473.16797	2.0
716.56757	0.6
839.27405	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.8
61.98833	5.9
62.95256	0.4
63.96236	2.6
71.01382	11.3
72.99316	0.5
73.02944	1.7
78.98587	7.6
79.95358	0.3
79.95734	19.8
80.96516	100.0
81.03452	1.0
85.02934	3.0
87.00873	3.3
94.71275	0.5
94.98085	20.8
95.01434	0.5
96.96010	1.8
97.02959	2.1
99.00901	0.7
101.02443	3.1
105.66638	0.5
106.98088	4.1
122.97573	5.3
125.02441	3.8
127.04027	1.1
134.97600	6.7
136.99133	1.5
143.03526	0.5
148.99142	7.8
152.98637	6.7
164.98628	14.2
175.63890	0.5
206.99632	2.5
208.76926	0.5
225.00735	17.3
226.01117	0.5
277.21677	2.2
418.15024	0.6
559.25739	2.7
578.60541	0.6
837.48242	96.4
838.48511	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	838.5318
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98547	0.2
71.01419	0.2
78.95910	1.3
79.95726	1.1
80.96523	0.7
85.45219	0.1
94.98077	0.9
115.92130	0.1
117.63467	0.2
122.19297	0.1
122.97584	3.3
122.98407	0.2
125.19003	0.2
125.20998	0.2
152.99586	0.1
172.37164	0.2
179.89262	0.3
180.65369	0.1
180.89995	0.2
181.23994	0.1
196.89502	0.4
280.43872	0.2
346.43045	0.2
373.35675	0.2
392.79437	0.1
405.40503	0.2
449.87280	0.2
838.43933	0.7
839.49628	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.413
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00596	2.2
59.01382	47.3
61.98828	5.6
68.24071	1.0
69.03462	2.8
69.65047	6.3
71.01382	52.2
72.99324	4.4
73.02946	10.6
75.00873	1.6
83.01389	8.2
85.02953	12.5
87.00880	17.7
89.02450	39.2
91.18141	1.1
95.01407	4.2
97.02953	4.5
99.00887	1.7
101.02448	41.7
103.87319	1.2
113.02458	26.9
118.63324	1.1
119.03512	9.1
123.51378	1.2
125.02457	16.9
131.03505	4.7
133.05090	1.5
143.03510	8.3
144.21036	1.1
149.04494	1.7
155.03531	1.1
161.04565	16.8
179.05609	13.8
203.05687	2.1
221.06573	7.2
235.08194	3.9
251.86821	1.3
253.09305	9.2
254.09775	1.4
277.21738	32.9
278.22122	2.5
305.08408	1.2
309.20676	1.2
323.09698	5.4
379.12598	1.3
383.11713	1.9
397.13550	51.7
398.13821	3.2
415.14670	19.4
439.14801	1.5
485.15280	2.6
559.18793	100.0
560.19159	12.3
577.19916	33.5
578.20496	2.3
837.41376	3.3
838.42120	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	836.5161
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
70.24693	0.2
70.25108	0.3
89.96811	0.1
123.21597	0.1
129.04295	0.1
131.77745	0.1
190.29097	0.1
663.78217	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	837.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	61.3
63.70142	0.5
69.03454	0.8
69.76141	0.5
70.80025	1.1
70.80360	0.8
71.01376	13.0
72.99303	0.7
73.02945	11.6
75.00875	0.6
83.01398	4.4
85.02949	3.2
87.00877	4.1
89.02442	3.5
91.72017	0.5
93.03486	0.8
94.37875	0.6
95.01392	1.2
97.02953	0.6
99.00873	1.5
99.04524	1.2
101.02440	14.2
109.02940	0.8
113.02436	5.6
115.03897	0.6
119.03481	2.4
121.06585	0.6
123.08220	0.8
123.46790	0.5
125.02388	0.7
130.04207	3.3
131.03540	1.3
133.01410	0.6
137.09689	0.7
143.03500	2.0
149.04581	2.8
149.06061	2.3
150.06866	0.8
153.09155	1.6
159.04509	17.2
160.04935	1.0
161.04553	5.5
161.06044	2.5
161.09712	1.8
163.11235	0.8
165.09200	8.2
167.98375	0.6
175.07645	8.5
177.12834	11.4
178.06320	2.0
178.13104	0.6
179.10770	4.4
187.11250	2.2
189.09123	0.9
190.09972	5.0
195.06575	0.8
203.03513	19.0
203.05580	2.3
204.03850	1.6
205.12320	100.0
206.12671	6.1
221.06595	1.5
223.13388	42.0
224.13763	2.5
295.15530	1.6
365.08694	1.7
367.17636	6.3
368.17615	0.8
371.20648	0.7
385.18680	6.9
427.19699	40.9
428.20105	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00595	1.3
58.38551	0.5
59.01377	54.9
60.72414	0.6
61.98811	2.6
70.91707	0.5
70.92048	1.3
71.01377	20.1
72.99300	2.0
73.02943	11.0
79.77558	0.6
81.03472	0.6
83.01393	3.1
85.02949	7.6
86.97546	0.6
87.00870	1.4
89.02440	9.6
95.01360	1.8
96.95981	1.5
99.00902	1.4
101.02431	13.7
107.66515	0.5
113.02436	8.0
115.00350	0.6
119.03536	2.9
124.90275	0.6
125.02424	1.4
131.03488	0.8
143.03510	1.1
149.04514	0.8
150.03169	0.8
159.04503	0.6
161.04506	1.5
177.01900	1.0
203.05618	0.6
226.34357	0.6
439.77887	0.6
501.30612	2.7
525.30585	2.5
543.31702	100.0
544.31952	16.3
567.31641	1.4
568.32111	0.8
585.32788	1.8
645.35608	0.8
789.98932	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00582	2.0
59.01076	1.3
59.01377	26.5
61.98826	8.1
62.47971	0.7
69.03433	2.2
71.01383	18.7
71.06002	2.0
72.99298	1.4
73.02924	3.9
79.42645	0.9
81.03468	1.0
83.01385	2.7
83.05012	1.2
85.02957	4.6
87.00859	3.5
89.02444	12.8
95.01378	1.8
96.95997	2.6
97.02930	2.0
99.00873	2.0
101.02447	13.0
111.04543	1.1
111.08201	1.3
113.02441	5.6
119.03535	1.8
125.02440	3.2
143.03452	1.5
161.04593	1.6
165.12846	12.9
179.05658	1.3
183.13902	100.0
184.14211	5.8
209.11789	2.0
221.06648	3.4
227.12885	9.0
253.09435	1.0
261.61020	0.9
354.42105	1.0
397.13559	1.3
607.26099	1.8
625.27045	4.4
724.23175	0.9
782.21997	0.8
791.41351	5.3
817.38104	3.0
835.39691	86.9
836.40118	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	831.5022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.6
61.98842	0.6
62.96400	0.6
70.47972	1.6
70.48305	0.6
72.80418	0.5
78.95898	87.0
79.95703	0.7
80.96516	5.4
83.05045	0.7
92.92891	0.7
94.98093	0.6
96.96956	17.6
122.97562	1.6
123.41370	0.7
152.99562	22.7
155.81790	0.5
189.81339	0.6
193.13463	0.5
223.00110	9.1
240.04189	0.6
241.01160	33.9
242.01410	0.9
255.23270	63.2
256.23538	4.7
259.02173	2.5
260.23492	0.6
275.19836	0.6
277.21689	37.9
278.22165	3.1
297.03693	2.4
315.04791	0.8
391.22537	8.8
392.22934	1.1
413.21198	1.2
553.27722	8.1
554.27576	0.8
571.29047	1.1
575.25983	2.2
831.50153	100.0
832.50525	27.2
832.66486	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	833.5422
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66005	0.2
59.01375	14.9
61.98825	7.0
70.80943	0.5
71.01375	1.5
73.02938	0.2
78.95877	0.5
80.28654	0.2
83.01385	0.3
85.02939	0.3
85.86741	0.2
89.02435	1.0
101.02426	1.1
105.82959	0.2
113.02442	0.6
119.03532	0.3
145.05064	0.2
161.04521	0.4
228.97864	0.2
233.22748	0.3
235.08130	1.4
253.09251	4.5
255.23199	0.4
277.21695	100.0
278.22037	10.4
279.23297	0.3
330.76462	0.2
513.30762	0.5
540.22327	0.2
833.50763	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.1
71.01374	1.7
71.49748	0.7
85.02946	0.9
95.01392	0.9
96.96059	0.7
101.02445	0.7
105.58111	0.6
108.02172	31.3
109.02962	12.0
118.04158	0.7
121.03066	0.6
123.00848	1.4
133.01413	1.8
135.04575	0.8
137.06021	0.6
151.03958	2.1
152.01144	62.9
153.01746	2.7
163.04001	1.6
164.01128	1.1
164.37764	0.5
179.03593	1.2
202.30464	0.6
241.07153	4.3
272.06732	0.7
273.97537	0.6
285.06009	0.8
417.10352	100.0
418.10620	8.2
459.93335	0.6
541.34900	0.7
689.14355	0.6
769.05182	0.7
810.09399	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01718	0.9
61.98828	0.4
63.35679	0.4
70.40929	0.4
71.01378	10.6
72.99274	0.3
73.02947	8.0
83.01398	1.8
83.88994	0.4
85.02946	2.9
87.00886	1.0
89.02429	3.6
95.01431	0.9
99.00931	0.7
99.18105	0.3
101.02439	9.7
102.02782	0.5
108.12943	0.3
112.94176	0.3
113.02458	4.3
119.03476	1.8
125.02480	0.4
131.03537	0.6
142.12956	0.3
143.03519	0.9
149.04584	1.1
154.97809	0.3
161.04581	3.9
161.05928	0.5
189.12920	0.9
201.02002	1.1
203.05699	0.4
204.69078	0.3
221.06793	0.9
229.14885	0.3
243.06844	0.3
269.10336	2.7
311.11349	2.0
369.19312	0.7
387.20206	2.3
423.13168	0.6
429.21225	4.0
430.22244	0.5
767.69214	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	5.1
59.01378	24.3
67.01881	1.1
68.99820	2.4
69.03456	1.9
69.29831	3.6
69.30250	5.0
71.01008	2.2
71.01384	32.0
72.98234	1.1
72.99318	9.2
73.02932	7.0
75.00874	22.5
76.01218	1.1
81.03474	1.0
81.15437	1.4
82.97115	1.0
83.01372	2.9
84.93812	1.5
85.02952	23.3
87.00875	10.0
89.02434	5.6
93.03486	2.0
95.01389	7.9
98.19904	2.3
99.00887	17.2
101.02453	3.6
103.00351	1.6
108.02164	2.5
109.02913	1.5
111.00873	1.9
113.01714	2.1
113.02448	24.5
115.00361	1.8
117.01934	3.0
120.05859	1.3
121.02939	3.8
122.03751	2.4
123.04506	3.5
129.01903	1.1
135.04578	2.5
135.11809	5.8
137.02449	2.0
138.70132	1.0
143.08679	2.3
145.02924	2.2
147.04572	1.5
149.02409	9.7
150.03229	69.7
151.03670	3.4
159.04541	2.7
159.08171	2.4
161.02428	2.3
161.09727	16.4
162.03293	2.6
162.10054	1.2
163.04022	2.2
164.04776	4.1
165.05573	51.7
166.05862	3.4
175.02524	2.4
175.03986	1.4
179.03569	1.6
179.10791	21.1
180.04283	4.2
181.49216	1.5
187.07645	1.4
191.05647	1.2
194.05983	1.3
195.06638	9.8
201.01990	6.7
203.03465	1.4
231.05206	1.1
240.09254	1.2
249.06157	14.4
267.07233	4.5
348.24887	1.1
411.16367	1.7
455.15402	2.3
570.50903	1.3
813.28674	6.2
814.29279	1.3
831.29291	100.0
832.29675	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4924
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98809	100.0
71.39774	41.3
117.57362	20.7
141.29210	21.1
155.02583	18.1
195.50803	20.1
217.76300	19.1
224.01224	19.7
277.21765	79.6
293.21118	94.2
303.77481	22.3
330.81216	22.0
334.86923	18.6
465.37881	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	827.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	9.8
71.49599	0.6
72.01707	0.4
72.99319	2.1
85.02938	0.4
85.21198	0.3
86.56941	0.3
87.00866	0.5
89.02449	1.8
89.11240	0.3
94.07116	0.3
109.02924	0.6
115.00379	32.3
116.00706	0.5
127.39457	0.3
131.45602	0.3
133.01436	100.0
134.01799	2.0
134.03822	2.0
135.04533	22.4
136.04871	1.0
139.03981	0.4
152.01216	0.5
152.21339	0.4
157.01299	0.4
161.02455	0.4
163.04091	0.3
177.01912	1.0
179.03503	26.5
180.03851	1.5
187.39381	0.3
191.03717	0.4
191.05614	1.2
193.05133	0.3
219.03058	0.6
234.05270	0.3
235.74834	0.3
294.64539	0.4
295.01569	0.6
295.04626	6.2
295.07736	0.6
307.08359	0.8
315.15451	0.3
343.10345	0.6
417.10498	0.4
439.08771	0.7
469.13336	0.5
501.02658	0.4
803.56165	0.3
804.85266	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17358	0.7
59.01379	4.2
61.98829	4.1
63.02388	0.9
63.33458	0.8
64.48376	0.9
65.00310	1.5
71.01367	1.8
73.02942	0.8
82.30165	0.8
83.01330	1.0
91.79705	0.8
96.95980	0.8
98.15437	0.7
101.02434	1.2
107.01371	2.0
109.02915	1.7
115.00343	0.7
121.02924	0.9
133.01450	1.4
133.18512	0.7
135.00838	1.2
148.01651	1.0
151.00343	6.3
153.22978	0.7
163.00377	1.8
178.99889	5.2
191.05612	1.1
211.03908	1.0
215.03366	0.9
227.03615	1.5
228.94501	0.8
243.02965	5.9
254.02193	1.5
255.02972	15.3
271.02454	28.2
272.02924	3.7
283.02371	0.8
300.02725	67.1
301.03452	31.2
302.03790	2.2
330.05591	0.8
463.08777	100.0
464.09164	12.5
512.62939	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.7
69.25798	3.9
71.01378	9.1
72.99300	0.8
80.02686	0.6
87.00872	0.6
89.02457	0.8
93.03455	1.4
107.90170	0.4
108.02172	19.9
109.02478	0.6
115.00371	11.7
119.05028	28.7
120.05352	1.6
123.04524	9.2
133.01433	30.1
134.01678	0.6
135.04523	0.7
137.02446	1.0
138.45709	0.5
152.01149	45.9
153.01509	1.6
159.04530	1.4
161.02432	1.4
161.04599	0.5
163.04008	41.8
164.04346	2.2
167.03491	100.0
168.03848	3.5
177.01726	0.5
191.05635	0.8
193.05070	0.5
203.03470	0.6
279.05206	2.7
295.09726	0.5
427.58548	0.4
501.15955	5.0
502.15881	0.8
691.14880	0.9
844.64069	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.21
Annotation	Unknow
Peak:m/z	Relative Intensity
58.32069	0.4
59.01372	1.7
71.01387	9.2
71.16606	0.8
72.99311	0.7
85.02965	0.4
85.75555	0.4
89.02452	0.8
89.59801	0.4
91.23127	0.4
95.73880	0.5
108.02176	19.2
108.02922	0.9
115.00371	11.8
116.73028	0.4
119.05029	26.2
119.29282	0.4
120.05370	0.9
123.04526	8.0
126.89301	0.4
133.01430	26.8
133.70279	0.5
135.04549	1.1
137.02432	1.3
152.01152	44.6
153.01479	1.5
159.04520	1.6
161.02441	1.7
162.02858	0.4
162.93402	0.4
163.04007	43.4
164.04343	2.0
167.03494	100.0
168.03841	4.7
175.25781	0.4
193.05031	0.8
195.06604	0.5
203.03528	0.8
211.42014	0.4
279.05115	2.7
295.09821	0.8
306.20483	0.4
382.03409	0.5
399.90860	0.4
459.14517	0.6
501.16055	4.4
502.16830	0.8
541.82220	0.5
547.13983	0.5
630.75079	0.5
665.17346	0.5
691.15790	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.5209
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00580	0.4
59.01377	6.5
59.96302	0.3
61.98820	0.9
69.03452	1.7
71.01379	6.9
71.07414	0.8
72.99312	0.6
73.02936	2.1
76.31837	0.3
81.03425	0.3
83.01394	1.3
83.05043	0.4
84.02168	0.3
85.00140	0.3
85.02952	7.1
86.00144	0.4
87.00876	2.5
89.02438	4.3
95.01368	0.6
96.95996	0.6
97.02958	1.1
97.06583	1.4
99.00887	0.6
101.01797	0.5
101.02442	6.6
107.90799	0.2
111.04533	0.3
113.02441	3.3
119.03500	1.6
119.08572	0.4
125.02461	0.7
125.09698	0.8
127.11274	0.8
133.05067	0.9
137.09698	2.1
143.03474	1.0
145.05078	1.8
152.99640	0.4
155.10793	0.7
157.05038	0.9
161.04573	2.9
165.12883	0.4
171.10265	18.6
172.10608	0.9
175.11221	0.3
179.05641	1.0
183.13893	2.8
185.11835	0.5
195.13889	0.3
197.11812	0.4
201.11299	1.2
209.11795	1.0
211.13391	7.2
212.13782	0.4
221.11824	1.2
229.14441	4.5
233.22624	0.3
235.08217	21.2
236.08592	0.8
239.12863	0.9
243.32433	0.3
247.20555	0.4
253.09268	23.6
254.09587	1.0
259.20697	0.5
275.20193	0.4
277.21704	100.0
278.22079	8.7
291.19592	2.7
293.21185	0.4
295.22739	0.8
309.20688	10.6
310.20935	0.8
327.21744	65.1
328.22101	5.1
351.21515	0.3
383.53577	0.3
513.30457	0.8
514.31750	0.3
542.99829	0.3
545.29517	2.6
563.30579	2.1
587.42993	1.2
822.78125	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68118	0.6
59.01374	1.0
61.98827	1.9
64.37962	0.7
69.03452	0.8
71.01380	4.8
72.99306	2.7
86.07808	0.6
87.00869	1.7
90.35034	0.7
96.96014	9.3
97.02956	1.0
98.20702	1.1
98.95580	2.9
99.00879	4.9
99.92582	58.5
100.92596	2.5
100.93374	4.1
111.00838	1.6
115.92075	59.3
116.92857	100.0
117.92887	4.7
126.94918	1.8
127.00361	1.9
128.04755	0.7
141.93628	2.2
142.94417	1.7
152.99614	1.3
156.95970	4.3
166.36656	0.6
168.96008	1.8
169.93044	0.8
170.93901	2.8
171.94624	0.7
173.96236	1.2
183.13925	5.2
185.54755	0.7
198.93381	0.8
198.97156	1.1
226.96568	1.6
237.33347	0.8
242.95985	2.0
244.97583	1.7
252.10599	0.8
253.09151	1.0
259.96249	1.6
265.05453	0.8
270.53201	0.7
277.21698	7.1
279.03354	0.9
281.04822	1.7
282.05536	0.8
285.00769	2.6
286.01236	1.0
286.98727	1.3
293.56412	0.8
303.98898	2.3
309.04385	1.7
310.05096	3.0
311.05750	1.3
316.99738	1.5
318.00458	6.0
327.05212	0.8
327.21634	1.3
351.84348	0.9
353.07089	2.2
364.06189	1.0
367.08533	7.8
368.08667	1.1
381.06268	1.0
393.13889	1.2
453.08566	1.7
497.10968	3.4
498.11816	1.1
515.12360	5.6
621.27661	1.0
645.31152	1.9
723.43298	3.9
761.35913	2.0
769.32611	1.2
775.33911	1.4
787.33630	21.2
788.33533	6.4
805.34973	1.8
823.35626	19.7
824.36005	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	822.5
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71812	0.3
58.50806	0.4
61.98827	100.0
65.83984	0.3
79.95758	0.4
80.96515	1.4
106.36620	0.5
112.82094	0.4
122.97636	0.5
142.66734	0.4
180.24855	0.4
310.94873	0.4
360.77499	0.4
476.02045	0.4
508.77594	0.5
823.45947	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.4
61.98825	1.9
70.34141	0.7
70.64266	0.8
70.64615	1.3
71.01376	4.3
72.99310	2.4
73.02934	0.7
73.58388	0.5
75.78421	0.6
78.95921	0.8
87.00866	2.7
96.95994	7.2
97.02968	1.5
98.95585	2.8
99.00868	3.8
99.92583	50.5
100.92593	2.6
100.93366	3.5
111.00876	1.0
113.02453	0.9
115.91230	1.4
115.92075	56.2
116.92857	100.0
117.92862	4.6
122.87833	0.7
126.94924	1.8
127.00369	2.0
141.93652	2.4
142.94383	2.1
155.95204	0.8
156.96002	3.6
158.85139	0.6
168.95975	1.8
170.93987	1.7
172.95511	0.7
173.96211	1.4
181.12268	0.8
183.13861	3.8
196.95464	0.9
198.97086	1.1
226.96527	1.7
242.95944	0.9
244.97594	1.3
259.96356	0.7
274.98584	1.0
277.21646	8.6
281.04712	1.0
285.00787	1.4
286.98572	1.5
303.98730	1.6
307.06372	0.7
309.04355	2.1
310.05157	1.9
316.99652	1.5
318.00494	6.9
327.05399	1.0
327.21661	1.2
353.06833	1.2
364.05801	1.1
367.08606	2.4
393.13870	1.9
483.37219	0.7
497.11261	2.3
498.11850	0.8
515.12311	3.6
577.21002	0.7
587.26996	1.1
595.22485	1.0
645.31195	2.0
723.43091	3.1
743.36017	0.7
761.35791	0.9
769.33868	1.0
775.33600	1.3
787.33521	15.2
787.46997	1.0
788.33923	5.6
799.70532	0.7
805.35822	1.5
823.35522	11.8
824.35089	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	821.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.3
59.01381	100.0
61.98829	9.5
69.03456	1.9
69.30717	9.9
71.01381	40.7
72.99304	1.9
73.02943	9.2
75.00904	1.5
83.01386	3.3
85.02950	16.5
85.06599	1.1
87.00874	4.5
89.02448	16.6
89.48443	1.2
95.01385	3.8
96.96017	4.0
97.02973	1.6
98.20600	2.0
99.00887	2.8
101.02453	20.5
111.42290	1.1
113.02446	33.2
115.00352	1.4
119.03477	5.8
124.01646	2.4
125.02441	4.2
143.03505	6.8
159.04523	1.7
161.04565	7.3
179.05627	3.1
183.13936	1.7
211.13255	2.0
469.31589	8.3
487.32556	1.8
565.33649	1.3
613.35931	14.1
614.36383	2.7
631.36981	45.7
632.37543	6.3
649.38055	14.7
650.38910	3.0
673.38013	8.3
674.38275	2.0
691.39093	15.2
692.39337	3.1
733.39465	1.5
821.40961	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	821.5057
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.3
59.01638	1.1
61.98829	13.0
66.24656	0.8
69.03455	1.2
71.01388	5.4
71.62040	0.8
85.02940	1.5
87.00865	1.1
89.02447	6.1
90.40417	0.7
96.96005	0.9
97.02949	2.1
97.06562	1.0
101.02444	4.1
111.08140	5.7
113.02443	3.2
115.00314	1.1
119.03459	1.6
133.01419	1.1
134.66551	0.8
143.03381	0.8
161.04527	3.5
165.12854	1.6
169.12323	3.2
171.10248	2.8
179.05669	1.0
181.12315	1.2
193.12256	0.8
195.13870	8.6
197.09984	1.6
197.11812	32.3
198.12212	1.9
198.14247	0.7
199.13405	2.2
209.11931	0.8
209.15523	0.9
211.13374	7.9
223.13429	4.3
227.13037	0.9
228.13773	0.9
235.08255	1.6
237.14899	0.8
244.19373	0.8
247.20555	1.3
253.09267	27.1
254.09734	1.5
256.13171	1.6
263.13058	0.8
263.20145	1.5
265.18411	1.0
265.21799	0.8
275.20117	6.8
277.21753	2.5
278.37897	1.0
291.19659	18.8
292.19943	2.3
293.21216	100.0
294.21545	9.5
309.20691	58.0
310.21063	5.4
321.83267	0.7
368.18546	0.8
368.89963	0.9
529.29578	1.2
545.30023	1.4
585.41748	1.5
586.42896	1.1
710.07373	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.21
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.9
71.01379	11.8
71.49403	0.2
72.01730	0.2
72.99300	3.2
75.00872	1.5
85.02970	0.6
87.00890	0.6
89.02438	2.3
89.03933	0.2
91.05524	0.2
96.96011	0.6
101.02449	0.8
105.03428	0.2
107.05033	0.6
108.79248	0.3
113.02445	0.4
115.00370	31.4
116.00694	0.5
116.05070	2.4
117.03426	0.4
120.01244	2.0
128.05060	0.2
130.06664	0.4
133.01427	100.0
134.01779	1.8
134.03773	1.9
135.02908	1.0
135.04521	25.3
136.04852	0.9
158.06126	3.1
159.04501	0.9
161.02431	0.4
161.04530	0.6
175.02534	0.5
177.01939	0.6
179.03493	26.1
180.03818	1.0
184.07645	0.5
210.05583	3.6
211.06126	0.2
226.05038	0.3
236.09512	0.2
243.06638	2.5
244.06998	0.3
246.07753	0.3
295.04572	4.8
296.04935	0.4
298.85303	0.2
320.11560	0.3
364.13901	0.5
390.11850	1.1
406.11255	0.4
408.12979	8.9
409.13168	1.0
466.13327	0.3
488.65674	0.2
526.14313	0.6
527.14020	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.2
58.00583	1.1
59.01376	100.0
61.41146	1.0
61.98829	6.3
69.03424	1.6
71.01376	41.1
71.50219	1.6
72.99296	2.8
73.02949	12.4
74.78965	1.1
83.01371	5.5
85.02949	16.0
87.00855	4.7
88.98802	1.2
89.02447	21.0
89.31544	0.9
95.01388	4.4
96.96000	2.5
97.02950	1.5
99.00887	3.0
101.02442	22.4
101.51247	1.0
112.21709	1.0
113.02448	32.2
115.00364	1.2
116.92860	1.4
119.03483	7.7
124.01643	2.3
125.02439	5.7
131.03532	2.3
133.01442	1.0
143.03529	6.1
143.04436	1.3
149.95872	1.0
155.03369	1.0
159.04507	1.9
161.04543	6.9
174.01657	1.1
175.02470	1.1
179.05615	3.4
211.13353	1.4
306.07626	2.3
467.29910	4.5
485.31265	2.5
508.48563	1.2
611.34161	15.9
612.35175	2.6
629.35382	44.8
630.35699	8.2
647.36407	19.0
648.36725	3.6
670.03876	1.2
671.36627	9.3
672.36371	3.0
689.37543	22.3
690.37994	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	821.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.2
57.45993	0.7
59.01378	100.0
60.01715	1.0
64.28335	0.7
64.68958	0.8
68.93340	0.8
70.47403	2.6
70.47760	0.8
71.01372	10.0
71.04994	0.8
73.02940	3.3
77.54610	0.8
83.01406	0.9
85.02946	3.6
87.49634	0.7
89.02437	3.2
95.01385	1.3
99.00880	0.9
101.02432	6.1
113.02442	5.6
115.00331	0.9
119.03487	1.8
126.69403	0.8
129.42485	0.8
135.04501	1.7
138.06834	4.4
153.09196	13.5
153.55019	0.7
161.02507	1.0
161.04529	2.3
161.05977	1.3
173.82764	0.8
179.03365	0.9
199.03932	1.4
207.13806	1.6
225.12747	1.6
225.14932	20.6
226.15236	2.0
227.70938	0.8
227.84738	0.9
297.20609	0.9
311.05786	1.5
369.19122	25.7
370.19501	3.9
372.51547	0.9
372.56311	0.9
387.20102	12.3
388.20239	1.0
429.21252	44.8
430.21362	4.1
431.09622	1.4
760.50909	0.9
821.25220	1.6
822.26202	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	819.3658
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.5
59.01379	100.0
61.40487	0.7
61.98838	4.7
69.03447	1.3
70.99068	1.4
71.01381	48.1
72.99316	2.9
73.02948	11.6
83.01378	5.4
85.02949	19.2
87.00866	5.9
89.02441	23.4
95.01372	5.6
96.96028	1.7
97.02969	2.2
98.68938	0.8
99.00890	3.5
101.02440	22.2
102.74055	0.8
113.02448	32.0
114.02757	0.9
115.00391	1.4
115.68392	0.7
119.03495	8.3
119.98872	0.7
124.01718	2.1
125.02457	7.2
131.03532	1.5
141.01898	0.9
143.03496	5.8
149.04587	1.0
151.34070	0.7
155.03558	1.2
161.04558	8.4
175.02542	1.8
178.47003	0.8
179.05562	3.6
201.57787	0.7
203.05681	0.9
211.13382	1.7
265.73022	0.8
315.22894	0.8
427.82126	0.8
467.30057	5.4
468.30865	1.2
485.31613	2.6
575.32349	1.2
593.33636	1.2
611.34290	14.8
612.35071	2.2
629.35382	48.2
630.35785	7.7
647.36444	16.7
648.37286	3.1
671.36279	9.3
672.37347	2.1
689.37482	19.0
690.38556	3.2
715.45648	1.0
731.39044	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01720	1.0
60.81156	0.7
61.98828	5.8
63.81586	0.6
70.05517	1.6
70.05917	1.2
71.01383	3.1
73.28718	0.6
78.02658	0.7
78.28957	0.6
79.95753	1.4
80.96510	7.0
82.96117	0.8
85.02965	1.4
87.00880	1.2
89.02462	2.4
94.48601	0.6
94.98128	1.3
96.99326	0.9
97.02949	1.7
101.02450	2.7
106.98092	0.6
113.02454	0.9
125.02444	2.1
139.02136	0.7
141.01697	58.4
142.02031	1.0
142.05106	3.3
142.20476	0.8
156.79823	0.7
235.08415	0.9
277.21698	6.7
330.40897	0.7
359.22119	4.5
397.13486	12.4
398.14243	0.8
415.14597	2.8
419.11816	2.8
437.12668	3.5
469.06573	2.6
490.01123	0.7
675.35596	0.9
697.34399	2.5
816.50787	2.5
817.51544	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	817.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98829	14.4
69.03481	0.7
71.01373	3.6
71.50018	0.7
73.02979	0.8
73.26752	0.7
76.98530	0.7
79.95744	1.3
80.96504	6.2
82.96125	0.8
85.02959	0.9
89.02440	2.2
90.20736	0.6
94.98055	1.6
96.99317	1.5
97.02967	1.9
99.00838	0.7
101.02466	2.0
115.49413	0.6
122.97581	0.9
125.02465	1.2
131.24002	0.6
141.01703	57.8
142.02063	1.0
142.05081	3.7
152.98657	0.8
153.01726	0.7
183.13857	0.8
277.21716	6.1
280.22119	0.9
357.04095	0.7
359.21918	5.4
397.13489	12.0
398.14084	1.5
415.14285	3.4
419.11658	2.4
437.12799	3.2
469.06564	3.1
640.67657	0.9
697.33484	1.7
721.60938	0.8
755.41602	1.0
816.50873	3.0
817.51630	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	815.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.5
59.66563	0.3
71.01379	0.6
103.05569	0.3
105.19931	0.4
117.03475	4.8
119.05019	0.8
121.06087	0.3
130.04228	0.6
132.71739	0.3
135.04576	0.5
145.02937	2.9
147.04527	1.0
149.06050	0.5
159.04535	4.8
159.71127	0.3
163.04012	1.3
173.02460	3.3
191.05630	0.4
201.01930	100.0
202.02269	6.0
203.03503	6.4
204.03906	0.7
259.15591	0.3
300.50793	0.3
512.11401	0.3
809.83820	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4981
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.8
59.72187	0.5
63.84863	0.5
63.96236	2.9
69.03458	1.3
69.21143	0.9
69.21548	4.3
71.01380	10.2
73.02937	1.9
78.98582	8.8
79.95735	19.1
79.96207	1.1
80.96516	100.0
81.03471	0.9
85.02956	3.9
87.00863	3.6
94.98084	21.2
96.96011	2.1
97.02948	2.4
99.00928	0.9
101.02432	3.6
106.98091	4.5
122.97573	5.8
125.02443	4.1
129.66092	0.6
134.97578	7.3
136.99133	2.1
148.99136	7.9
152.98625	6.9
164.98624	14.3
202.57745	0.5
205.03407	0.7
206.99664	2.8
225.00735	19.7
226.01123	0.9
255.23273	1.9
283.05112	0.8
504.80917	0.6
537.27185	1.2
559.25635	1.7
815.49811	90.0
816.50177	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	809.4972
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66909	37.5
61.98838	49.1
64.07001	46.6
64.44855	39.6
70.80623	100.0
70.80986	57.3
130.13782	40.7
145.91945	50.2
201.15131	44.6
277.21457	59.7
295.03296	48.9
467.27448	45.4
625.59381	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.4
59.25983	0.4
71.01379	5.4
71.49483	0.4
85.02948	3.6
85.49197	0.3
87.00881	1.0
93.03451	2.2
101.02467	0.4
107.05035	0.5
109.02927	0.7
111.04534	0.6
111.94593	0.3
115.00360	4.8
127.04069	0.8
133.01425	6.8
133.02898	1.8
134.03755	2.3
135.04523	66.2
136.04832	3.3
137.02412	0.5
142.62685	0.4
161.02425	4.1
173.04526	1.1
177.01884	1.1
179.03491	100.0
180.03825	4.5
191.05605	58.4
192.05925	2.2
323.07663	2.0
341.08746	40.1
342.09143	3.2
343.09506	0.4
351.07181	0.6
353.08670	8.1
420.85803	0.4
457.09750	1.4
515.13867	4.8
516.14148	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.5321
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
69.54135	0.6
69.54549	1.7
79.72412	0.3
80.96526	2.7
94.98080	0.5
98.19916	0.7
121.83753	0.4
122.97559	0.5
210.10075	0.3
727.73041	0.5
815.49811	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	815.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.5
59.66563	0.3
71.01379	0.6
103.05569	0.3
105.19931	0.4
117.03475	4.8
119.05019	0.8
121.06087	0.3
130.04228	0.6
132.71739	0.3
135.04576	0.5
145.02937	2.9
147.04527	1.0
149.06050	0.5
159.04535	4.8
159.71127	0.3
163.04012	1.3
173.02460	3.3
191.05630	0.4
201.01930	100.0
202.02269	6.0
203.03503	6.4
204.03906	0.7
259.15591	0.3
300.50793	0.3
512.11401	0.3
809.83820	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51938	0.7
59.01377	2.1
61.98830	100.0
71.01393	1.1
80.91694	1.0
81.34008	0.7
82.95414	4.3
84.95132	1.1
96.06458	0.7
96.41101	0.8
101.02417	1.2
123.24283	0.8
165.12868	2.1
183.13902	15.3
184.14143	0.8
192.62686	0.6
209.11926	0.8
223.13191	1.0
227.12656	0.8
230.30341	1.1
249.11156	2.6
253.09210	1.0
277.21719	18.9
278.22192	1.1
287.58652	0.8
459.74521	0.8
553.36829	0.8
723.43207	23.9
724.43646	5.4
808.40955	5.9
809.41614	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	808.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98814	1.9
63.00426	1.0
65.99851	6.7
68.01405	4.0
68.99821	16.4
69.10239	1.1
70.00479	5.7
71.01385	6.2
73.02955	1.3
83.00092	2.1
85.92517	1.1
96.00910	4.7
96.99300	6.9
98.02497	2.5
99.00879	90.2
100.01186	1.9
112.03987	1.1
124.00405	17.4
140.03516	1.8
151.99921	3.7
156.03076	1.6
159.02966	9.8
184.00978	1.9
184.02472	10.6
229.73476	1.2
244.04588	4.8
419.18469	3.3
433.20062	1.5
443.18875	2.6
457.20306	1.9
458.20941	3.1
459.13803	1.3
462.20700	1.3
473.19589	13.1
474.16232	7.1
475.17230	3.4
483.21887	10.1
485.19800	4.7
486.20285	11.5
487.20807	3.2
489.19244	2.8
490.19867	4.5
491.20935	1.7
499.20517	2.1
500.22021	5.4
505.22339	4.8
512.18842	2.7
517.22705	1.7
521.25507	3.5
527.20642	4.6
528.21729	1.8
544.21338	2.5
549.21545	6.2
559.23450	100.0
560.23755	21.8
565.24695	3.0
576.23627	10.0
577.24335	3.5
591.26050	28.5
592.26276	5.6
635.25055	62.9
636.25629	13.3
637.26483	4.7
672.24597	26.9
673.25275	7.2
716.23273	7.1
732.26318	7.6
733.27209	2.7
764.29517	6.1
790.27002	4.5
808.28882	6.1
809.29382	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	807.235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	2.1
59.01380	20.5
71.01384	18.2
73.02913	1.6
82.15652	1.2
84.54036	1.2
85.02952	3.9
86.49004	1.3
87.00806	1.5
89.01933	1.4
89.02402	6.0
101.02438	8.0
103.05533	3.7
109.02915	1.9
113.02434	4.3
115.00359	5.5
118.33103	1.3
119.03524	1.9
119.05048	10.1
121.02937	5.1
123.04517	2.8
130.04237	11.8
131.05048	1.4
133.01382	4.3
133.02940	7.1
134.03741	2.1
135.04500	8.0
145.06645	1.3
146.03705	4.0
147.04515	12.4
148.05249	1.6
149.06087	8.9
159.04517	100.0
160.04849	5.1
161.02348	2.1
161.06064	10.9
163.04016	21.2
171.04526	7.4
173.06070	10.4
174.03255	1.6
174.06529	1.5
175.03899	2.0
175.07574	2.4
178.02695	3.1
185.06003	1.7
187.03964	3.1
191.07088	3.7
199.04012	14.6
203.03497	30.1
203.07094	3.9
209.08495	1.2
211.04094	1.8
215.07088	1.4
217.08644	3.3
235.09813	3.0
243.06682	3.2
251.07123	2.2
291.06622	2.0
293.08197	28.3
294.08606	3.5
321.11288	14.7
322.11591	2.5
347.09250	8.9
349.10788	3.9
367.11920	1.9
371.09933	1.7
377.13788	4.6
395.14795	2.5
403.11694	7.1
407.76630	1.4
421.12653	2.2
423.12878	2.0
527.13611	1.6
529.17047	2.8
557.20087	5.3
583.18445	2.4
601.19403	3.3
616.72662	1.3
627.17157	72.6
627.84906	1.7
628.17676	15.4
705.12103	1.9
789.22351	2.9
790.24548	1.7
807.23486	62.3
808.23956	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	807.235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.4
59.01381	9.5
65.38094	0.4
69.32733	0.8
69.33138	2.5
71.01382	6.8
72.99319	0.5
73.02954	0.8
74.44043	0.4
78.28194	0.4
83.01377	0.6
85.02950	1.7
87.00869	0.5
89.02447	4.0
91.05577	0.5
93.03448	0.4
95.01407	0.5
96.95955	0.5
101.02430	2.9
102.90713	0.4
103.05537	2.1
108.02175	0.4
109.02948	0.7
113.02465	1.7
115.00340	0.7
115.05529	0.5
117.07066	0.5
119.03486	1.2
121.02970	1.3
123.04488	1.1
128.54262	0.4
130.04231	9.3
131.05026	0.8
131.48131	0.5
133.01422	0.8
133.02953	3.2
134.03729	0.8
135.04536	3.4
137.06041	0.6
143.05023	0.5
146.03732	1.2
147.04532	4.8
148.05327	0.8
149.06073	5.6
155.05006	1.2
159.04509	66.2
160.04855	3.5
161.02443	0.9
161.04779	0.7
161.06049	4.4
163.04002	1.0
171.04526	4.0
173.02505	0.6
173.06075	3.2
174.03212	0.5
175.04012	1.5
175.07651	1.0
178.02699	1.4
183.04514	0.5
185.05995	0.6
187.03984	1.6
188.04811	0.6
189.09282	0.5
191.05672	0.4
191.07161	0.6
198.03262	0.7
199.04001	9.4
199.07703	0.4
200.04654	1.3
201.05563	1.3
203.03503	15.9
203.07170	1.2
204.03841	0.7
211.04007	1.1
213.05515	1.4
214.06290	0.4
215.07144	0.7
217.08701	0.9
221.04536	0.5
225.05598	0.6
235.09613	0.6
242.05852	0.4
243.06583	2.1
251.07063	0.4
256.07413	1.5
266.57706	0.5
275.07123	0.7
279.06708	1.0
291.06583	0.9
293.08194	17.0
294.08478	1.7
303.10367	0.7
321.11221	2.1
331.09708	1.3
333.07764	0.5
347.09229	6.3
348.09836	0.9
349.10718	2.6
367.11819	0.6
377.14108	0.9
383.09668	0.8
385.10815	0.8
403.11725	4.1
421.12851	1.6
423.12964	1.4
511.16055	0.7
529.17126	1.1
557.20282	1.6
583.18286	1.8
601.19391	1.0
627.17163	100.0
628.17474	16.2
789.22260	5.7
790.22638	1.0
807.23383	4.4
808.24377	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	805.5102
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.1
59.01385	0.6
61.98822	0.8
71.01378	0.8
71.50476	0.3
71.50835	0.4
80.96496	0.6
83.04994	0.2
85.02950	0.4
89.02434	0.6
93.07095	0.7
95.38102	0.3
97.06585	0.9
99.00876	0.4
101.02422	0.5
107.08655	0.7
121.10232	7.5
123.08167	0.8
125.09722	4.0
139.11327	0.4
141.12869	0.6
147.08124	0.4
165.12814	0.3
183.10236	0.3
185.11826	10.1
186.12180	0.4
197.11876	2.1
199.13368	0.4
209.11789	1.1
211.13390	1.5
223.13388	0.9
225.00824	0.3
228.23494	0.3
235.08441	0.2
247.13435	0.4
247.20662	0.9
253.09319	1.6
273.15811	0.3
273.18658	1.0
277.21725	12.6
278.22144	1.2
289.18005	0.4
291.19659	100.0
292.19992	9.2
311.64273	0.3
360.05493	0.3
426.29724	0.3
481.79108	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5108
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.3
59.01375	3.2
61.98833	1.3
64.16769	0.3
71.01389	2.8
71.49982	0.5
73.02942	0.4
78.91910	0.5
80.91685	4.4
83.01385	0.4
85.02930	0.9
87.00891	0.4
89.02445	1.9
95.01376	0.5
95.39494	0.3
101.02428	2.7
109.13908	0.3
111.08151	0.4
113.02458	1.4
119.03478	0.7
161.04556	1.3
167.10825	0.5
179.05577	0.7
179.14421	0.9
181.12367	1.2
183.13887	1.8
195.13916	8.0
196.14511	0.8
203.10522	0.7
205.12259	1.2
205.16029	0.5
223.13344	7.7
228.13689	0.9
231.10167	0.3
231.21222	0.4
235.08264	1.1
237.11082	1.4
249.11089	13.5
250.11429	1.1
253.09297	17.0
254.09608	1.1
256.13193	1.1
265.21716	0.5
267.12189	1.9
268.12622	0.4
275.20160	4.9
276.20636	0.6
277.21579	0.4
293.21240	100.0
294.21545	8.8
323.14651	0.4
445.20734	1.1
467.18900	2.1
485.19986	1.8
486.19458	0.4
492.22305	0.5
529.29962	0.6
569.41443	1.5
610.42792	0.3
723.43506	0.9
724.44415	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.7
58.99168	0.4
59.01377	12.7
61.98827	1.2
65.85979	0.4
69.03452	1.8
70.55824	1.3
71.01382	11.5
72.99310	1.1
73.02938	2.0
77.15099	0.5
81.03448	0.6
81.36752	0.5
83.01380	1.2
85.02919	2.4
87.00886	2.7
89.02444	8.9
96.95995	0.6
97.02960	1.4
100.33675	0.4
101.02435	8.6
113.02442	4.5
119.03488	1.9
125.02465	3.5
132.28458	0.4
143.03479	1.1
149.04604	0.7
153.16844	0.5
161.04575	2.2
161.85922	0.5
167.14403	0.8
179.03676	0.4
179.05614	3.0
183.13885	6.9
193.12262	2.2
211.13383	100.0
212.13712	6.3
221.06694	0.7
235.08249	2.5
253.09152	0.6
253.14435	0.5
263.07788	0.4
287.07761	1.0
303.25702	0.4
305.08960	0.7
323.09818	1.0
351.25937	0.5
379.12372	3.8
397.13492	20.3
398.13876	2.2
415.14587	5.0
591.26453	4.7
592.26538	0.7
609.27527	4.9
610.28949	0.6
730.03345	0.5
753.28009	0.6
785.39899	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	804.4387
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
67.09328	0.3
67.36407	0.3
71.50356	0.5
78.74766	0.3
80.96556	0.6
112.62498	0.3
113.48892	0.3
116.92880	0.4
117.72372	0.3
118.32738	0.4
135.83026	0.3
548.38721	0.3
741.43164	1.4
804.42102	0.5
805.41406	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	3.1
59.01373	16.2
61.98833	13.0
69.03457	1.5
71.01386	12.8
71.50636	1.9
71.51051	1.9
72.44453	1.8
72.99321	1.7
78.17082	1.5
85.02942	4.0
87.00883	4.0
88.98799	1.4
89.02434	5.6
95.05041	1.4
96.96011	10.1
99.00866	2.4
100.80989	1.5
101.02428	9.6
108.46636	1.4
111.08146	3.2
113.02446	5.8
115.00375	1.8
119.03479	2.1
159.04489	2.8
161.04497	3.2
165.12840	12.3
183.13885	100.0
184.14182	5.2
193.12170	2.3
199.29524	1.4
209.11797	2.8
211.13365	63.2
212.13666	2.5
213.14951	10.9
216.50011	1.7
223.13354	4.6
227.12880	6.0
241.14388	16.2
251.12917	7.6
253.09196	6.4
253.14632	1.6
259.13367	3.1
263.12833	2.1
463.22064	2.1
513.22650	1.5
585.39740	1.6
643.35016	1.5
657.34827	84.0
658.35492	16.0
685.33655	1.6
687.35828	31.5
697.34448	13.7
698.34735	3.7
699.35431	6.5
700.36560	1.8
709.35266	3.2
715.35632	3.2
723.35779	6.0
727.34723	2.3
739.35028	2.6
741.37323	2.6
751.35754	2.1
769.36255	3.2
805.27094	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	802.4229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.0
61.98829	100.0
70.09106	1.9
70.09483	1.0
71.01388	0.9
76.89982	0.6
78.75491	0.5
89.09204	0.5
89.13628	0.5
93.90401	0.5
99.00868	3.0
101.02473	0.6
117.91579	0.5
125.09753	1.1
147.74579	0.6
163.11311	0.8
181.12250	2.3
199.13425	1.8
207.10242	3.7
225.11342	6.5
243.12343	4.3
277.21689	2.3
278.22241	0.8
479.21469	1.4
739.42682	24.4
740.43054	6.2
803.40918	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	802.4593
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76315	0.1
61.98828	100.0
62.98547	0.3
69.77892	0.6
69.78259	0.2
74.21441	0.1
77.24886	0.1
95.90707	0.1
161.43211	0.1
177.89224	0.1
211.13403	0.4
212.13803	0.3
213.14111	0.1
229.94984	0.1
258.40921	0.1
277.21765	0.4
278.22159	0.2
374.75671	0.1
386.40021	0.1
561.92273	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	803.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00591	0.6
59.01378	12.5
59.90799	0.4
61.98808	1.4
65.59603	0.4
69.03444	1.2
71.01009	0.8
71.01379	9.1
72.99299	0.6
73.02944	1.7
75.73289	0.4
81.03462	0.4
83.01383	1.2
85.02939	3.1
87.00883	2.2
89.02428	7.2
89.86452	0.4
95.01368	1.0
97.02959	1.3
98.19890	1.3
99.00868	1.2
101.02434	6.9
113.02432	4.2
116.92833	0.5
119.03499	1.8
120.70105	0.5
125.02428	3.4
131.03532	0.4
132.96646	0.4
137.02367	0.4
141.01982	0.4
143.03470	1.2
157.48744	0.4
160.32623	0.4
161.04552	2.4
167.14409	0.6
179.05560	1.8
183.13893	7.5
193.12349	2.1
211.13383	100.0
212.13712	6.0
217.07159	0.4
221.06535	0.5
235.08176	2.8
236.95866	0.4
253.09428	0.8
281.92920	0.5
287.07843	0.7
305.08777	0.6
323.09833	0.7
333.04858	0.5
365.35526	0.5
379.12463	3.4
397.13474	20.4
398.13794	2.2
415.14627	4.1
571.69098	0.5
591.26593	3.3
592.26971	0.5
609.27612	4.3
610.28064	0.6
771.30365	0.4
785.40472	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.6
58.00584	2.9
59.01378	55.7
59.04264	1.3
61.98825	9.2
65.03957	2.2
68.99815	1.2
69.03430	3.1
70.71177	3.0
71.01379	49.2
72.01694	1.3
72.99284	4.9
73.02954	6.0
75.00857	2.5
81.03439	3.2
82.57401	1.0
83.01393	6.9
83.05016	6.8
85.02937	13.5
85.06535	2.1
86.00073	1.0
87.00876	10.6
89.02445	30.5
91.05539	1.8
95.01375	3.1
96.96011	2.1
97.02942	5.4
97.06583	5.8
99.00877	3.1
101.02441	28.0
105.07101	1.4
109.03038	1.3
109.06597	2.0
111.00867	1.6
111.08123	3.7
113.02448	17.4
115.00375	1.9
119.03472	4.8
119.04962	1.4
121.02886	1.4
123.08115	2.6
125.02450	8.3
125.08839	1.2
125.09701	16.9
131.03442	1.4
133.01407	3.3
135.08116	1.7
137.09752	1.8
141.01859	1.2
143.03438	2.5
161.04576	7.4
163.11299	1.5
171.10263	30.8
172.10686	1.1
173.09807	1.1
179.05646	8.3
185.11751	1.5
187.09772	1.9
189.16469	1.4
201.12741	2.3
205.15901	3.3
207.48169	1.1
209.11832	12.5
211.13377	15.5
212.38519	1.1
215.14417	13.3
221.06702	6.0
221.15440	1.4
231.13817	2.9
233.15450	54.2
234.15761	4.5
235.08125	3.9
235.13348	1.4
242.08292	1.1
249.14958	18.5
251.16463	2.9
257.17523	2.0
299.33170	1.2
331.26187	4.8
341.24734	4.6
367.22699	2.5
375.25296	4.1
379.12454	2.2
385.23868	20.8
386.24088	2.6
393.26517	1.6
397.13513	19.1
403.24838	34.3
404.25229	3.5
415.14468	4.6
421.25961	14.1
422.25998	2.4
475.60562	1.2
477.28287	1.4
495.29922	1.3
773.39813	2.4
783.38000	100.0
784.38367	26.5
801.38940	55.0
802.39600	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	801.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	22.0
61.98824	2.3
69.00929	1.7
69.82498	1.3
71.01392	11.4
72.00899	2.5
73.02979	1.8
74.02471	21.0
75.00906	1.7
82.01699	1.7
83.01405	2.2
83.02530	4.2
83.05034	1.9
85.02955	6.1
85.04067	1.7
86.02484	3.6
87.00864	2.8
87.05628	4.2
89.02446	4.3
93.03465	6.4
97.04092	5.0
98.20676	2.7
99.01987	2.0
99.04546	2.3
99.05646	16.1
100.00408	4.7
100.07689	5.3
101.02443	5.6
104.03516	7.5
107.05073	4.2
109.02953	1.8
111.02024	1.5
112.02753	1.5
113.02446	4.7
113.03567	4.6
115.05161	1.5
115.08835	1.8
116.05067	6.5
117.03432	2.2
118.06648	5.0
119.03580	1.7
119.05027	28.1
125.02419	2.1
125.03526	2.2
125.07215	8.5
127.08760	3.2
132.05719	3.0
133.01401	2.3
133.03015	1.5
134.03683	1.9
134.06152	2.4
135.04587	8.5
137.02483	2.6
137.07181	7.1
139.08833	3.1
141.10313	1.8
144.11412	9.7
145.09897	1.8
146.06133	4.9
146.75558	1.7
149.02432	1.5
150.03178	3.8
151.00381	1.7
152.03551	2.0
153.06784	1.7
154.09840	3.7
156.11435	3.1
161.04601	3.6
161.07307	7.4
162.05608	3.4
165.05545	2.2
166.09787	3.7
167.08237	5.4
168.07768	2.1
169.09862	1.8
170.09358	28.4
174.05594	2.4
176.07158	12.2
177.01918	2.0
179.03450	4.1
180.06641	4.4
181.05031	1.4
182.09302	2.1
184.10901	19.9
186.05626	1.5
187.05141	15.6
188.07162	14.2
189.06618	7.0
191.05614	2.2
200.10625	1.4
201.04207	1.7
206.08241	3.2
215.11900	2.9
215.15182	6.8
217.13416	1.8
227.11885	6.1
227.15138	19.2
227.42160	1.4
228.15106	3.2
229.13466	4.4
237.08809	3.2
239.11949	2.0
241.13129	7.2
245.16318	2.7
253.13145	3.8
257.12885	2.1
260.14066	2.2
272.14084	6.2
273.12292	2.8
274.15366	1.7
284.14063	3.1
290.15210	1.7
301.16321	1.6
302.15118	2.4
321.19437	1.7
333.03998	2.0
333.19382	2.5
347.17203	1.9
357.19543	2.7
359.16833	1.5
365.18155	2.4
372.20334	3.8
418.03268	2.0
419.04074	12.4
420.96548	1.6
493.07867	6.9
553.32684	4.3
594.29529	4.0
595.32214	2.2
619.32776	2.3
621.32556	8.4
651.31323	10.9
652.32025	2.2
663.31238	4.1
681.32581	69.8
682.32770	12.7
711.33960	5.1
712.34045	1.9
714.33777	4.1
727.15186	3.0
771.35858	4.8
783.36407	2.4
798.89246	1.8
801.37079	100.0
802.37610	20.2
817.60529	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	799.4846
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25140	0.3
57.29425	0.3
59.01378	17.4
61.44062	0.3
64.00424	0.3
64.83477	0.3
67.89645	0.3
69.78338	1.6
71.01378	2.1
71.74721	0.3
73.02931	0.6
81.14126	0.3
83.01393	0.4
85.02943	0.5
88.47459	0.3
89.02432	1.8
95.35425	0.4
101.02448	1.9
103.42245	0.4
113.02448	0.9
145.05049	0.4
161.04518	0.8
167.14473	0.6
172.55565	0.3
173.79140	0.3
183.13860	5.5
184.76616	0.3
193.12364	1.7
208.80591	0.4
211.13371	100.0
212.13716	5.4
231.83017	0.3
235.08209	2.8
253.09276	6.8
277.21689	70.8
278.22058	6.5
429.21265	1.0
447.22244	6.8
448.22839	0.7
496.91254	0.4
513.30774	1.0
707.44171	1.0
712.41388	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.7
58.00600	1.2
58.68748	1.2
59.01382	100.0
61.05432	1.1
61.98825	7.0
71.01010	2.2
71.01386	34.8
71.50227	1.7
72.99306	2.5
73.02954	8.3
79.36742	1.0
83.01389	3.9
85.02964	12.0
87.00861	2.8
89.02457	16.2
94.17075	1.5
95.01393	3.2
96.95982	2.6
97.02974	2.2
99.00886	2.1
101.02448	16.4
107.54001	1.2
113.02451	25.6
119.03481	5.6
124.01646	3.4
125.02430	4.4
133.01482	1.7
143.03494	4.9
149.04524	1.3
161.04608	8.4
179.05550	4.9
229.27032	1.2
271.83078	1.3
293.18506	1.4
593.33331	7.7
611.24701	2.4
611.34375	39.5
611.44250	2.2
612.34735	6.1
629.35333	14.9
630.35852	3.4
653.35211	5.0
671.36340	8.6
672.36353	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	799.3307
Annotation	Rediocide F
Peak:m/z	Relative Intensity
59.01374	19.7
61.98829	16.0
71.01376	9.2
71.50598	6.1
72.00918	7.3
73.02945	6.6
74.02479	23.7
83.02502	6.1
85.02969	5.8
87.00899	4.3
87.04516	7.8
89.02413	3.7
93.03474	9.2
96.95992	10.6
99.01994	4.0
99.05624	9.2
100.00406	6.2
101.02425	5.8
104.03539	22.5
109.04102	4.1
112.02811	3.4
113.02489	4.0
113.03555	8.3
115.00388	6.9
116.05055	15.0
116.92855	6.0
119.05032	24.0
125.03561	7.4
133.01408	9.1
135.04543	9.5
138.39398	3.7
143.04604	4.4
144.11342	5.9
147.03294	7.1
149.02396	5.5
154.09972	4.8
157.02557	7.7
159.04506	8.3
161.02489	19.1
162.03273	8.1
163.03993	5.5
170.09358	35.7
174.01929	8.2
175.02724	11.8
176.03528	33.0
176.07115	12.5
180.11395	3.9
184.10890	22.6
187.05112	71.7
188.07170	13.0
189.04260	52.8
189.06729	12.6
201.03101	10.3
215.11894	7.5
216.06645	11.6
227.15161	12.4
229.02501	12.3
229.13432	4.7
230.08197	7.4
231.08951	4.9
232.09758	61.3
233.10208	4.9
241.12935	4.0
251.07289	4.0
253.13133	5.5
255.11398	12.9
272.07977	35.8
272.13959	12.1
273.08487	6.2
284.22876	3.8
297.13431	7.5
311.14841	5.4
321.08002	4.1
334.14343	5.0
372.20239	4.6
391.16153	8.6
403.12912	7.1
419.23300	3.3
420.15714	7.4
421.17282	86.1
422.17535	11.0
504.22433	8.3
536.21271	5.5
538.23059	5.9
540.24689	5.9
566.22577	57.1
567.22784	12.4
568.24152	29.1
569.24005	4.7
637.29614	14.5
691.69336	3.7
756.32330	4.0
769.31323	4.4
781.32373	10.1
782.32532	3.8
799.32953	100.0
800.32965	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	797.5573
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	1.0
59.01378	1.3
61.98827	3.3
63.75297	1.0
69.03444	1.5
71.17223	0.9
71.49643	0.9
71.50024	1.4
83.05001	0.9
84.50400	0.9
96.96012	1.2
97.02934	4.7
102.25483	0.9
125.09694	1.1
137.09698	1.9
149.62715	0.9
151.72293	0.9
160.35390	1.0
163.11230	1.1
165.12866	4.2
171.10260	4.2
186.99886	0.9
193.12346	2.4
209.11809	1.7
223.13316	1.1
227.12933	1.4
247.20660	2.0
272.18588	1.0
273.18454	1.0
291.19681	29.3
292.20041	2.5
308.11761	1.0
309.20694	75.4
310.20984	9.0
439.32587	1.1
443.69830	1.1
444.64609	1.0
487.34274	100.0
488.34573	15.3
701.66931	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	797.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
69.40064	0.4
69.40478	1.1
71.01381	11.0
72.99303	2.0
87.00872	0.7
89.02437	1.2
97.72442	0.2
98.20714	0.4
107.05045	0.6
115.00369	33.5
116.00689	0.8
133.01428	100.0
134.01752	1.9
134.03786	1.7
135.04520	25.1
136.04829	1.0
177.01855	1.1
178.02354	0.3
179.03491	24.4
180.03780	1.3
191.03426	0.3
219.02901	1.3
295.04572	4.7
296.04947	0.4
326.39746	0.2
346.46417	0.2
363.49872	0.2
381.08347	0.5
501.12384	0.7
606.41388	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.2
59.01377	1.9
61.98823	1.0
66.28440	0.2
69.03443	0.4
71.01381	2.1
71.50220	0.3
72.99324	0.6
73.02943	0.5
75.00876	1.4
78.95912	0.4
81.03467	0.6
83.04661	0.3
85.02940	1.4
87.00852	0.7
89.02446	0.6
89.03963	2.6
93.03499	0.3
95.01419	0.5
96.96029	0.6
99.00861	2.3
99.31077	0.3
101.02453	0.6
104.02687	0.4
105.03464	4.9
107.35554	0.3
109.02934	0.4
113.02460	1.2
115.00338	0.6
116.92873	0.3
130.04263	0.3
133.02953	10.4
134.03339	0.4
135.04498	0.8
148.01613	0.3
149.02492	1.2
152.99648	0.4
153.05495	0.3
154.18951	0.3
159.04501	2.2
176.01158	1.2
177.01920	100.0
178.02258	5.1
179.03557	0.4
181.12288	2.4
201.01881	0.4
203.03496	1.1
225.11324	1.2
227.07126	1.7
249.06133	0.5
339.07187	1.8
377.61548	0.4
387.12628	0.4
413.18008	0.4
457.17126	1.1
458.16852	0.3
475.18347	0.7
593.16022	0.5
594.17108	0.3
619.22211	2.4
620.22498	0.3
621.23224	0.3
779.24475	0.4
797.25049	18.1
798.25446	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	797.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.8
71.01382	6.4
72.99303	1.4
89.02432	1.3
103.05542	1.6
109.02921	0.8
113.40916	0.5
115.00373	16.8
116.00678	0.8
116.75668	0.4
119.05012	1.6
123.04540	1.1
124.30202	0.5
133.01425	48.2
133.02867	3.2
134.01765	1.9
134.03668	0.8
135.00826	0.6
135.04518	11.9
136.04829	0.8
147.04520	10.6
148.74191	0.5
152.01161	1.1
161.02463	0.9
163.03992	0.6
175.03976	1.1
177.01927	8.0
178.02306	1.0
179.03481	11.3
180.03833	0.8
187.03900	0.7
189.01901	5.2
190.02710	6.6
191.03496	44.8
192.03809	2.5
201.01886	3.3
203.03549	3.7
204.06700	0.6
215.03513	2.0
216.00537	0.6
218.02271	1.0
219.02969	100.0
220.03323	6.4
231.02919	3.4
243.02986	3.9
249.04044	6.6
261.04071	1.4
295.04657	2.3
339.07147	2.2
381.08261	38.6
382.08603	4.0
397.42059	0.5
411.09299	1.4
417.10406	0.8
450.53030	0.5
501.12479	77.4
502.12805	8.9
611.34503	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.6
61.98827	1.2
71.01376	2.8
72.99317	0.6
73.02956	0.5
75.00883	1.8
81.03470	0.7
83.01397	0.4
84.49601	0.4
85.02944	2.1
87.00867	0.6
89.02417	0.5
89.03982	3.0
96.96009	1.5
98.20619	0.7
99.00890	1.5
101.02432	0.4
104.02689	0.4
105.03460	4.9
111.00848	0.4
113.02439	1.8
115.00357	0.5
123.04474	0.4
133.01399	0.8
133.02950	11.6
135.04495	0.7
149.02458	1.6
159.08154	0.5
161.06050	1.3
161.09758	1.1
176.01170	0.8
177.01920	100.0
178.02261	5.4
179.03516	0.7
179.10774	1.6
205.05048	0.7
249.06107	0.8
267.07208	0.7
339.07242	3.8
455.15701	1.0
473.16306	0.9
617.20734	2.5
795.23395	12.7
796.23785	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	795.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87112	0.8
59.01380	100.0
60.01734	1.7
61.98824	3.2
62.54635	0.8
71.01379	3.4
71.50706	1.0
77.14451	0.9
84.76228	0.8
86.34743	0.8
89.02448	2.6
93.05759	0.8
96.99330	1.6
97.02938	1.0
98.01508	0.8
101.02451	2.4
141.01709	60.7
142.05084	3.9
171.10304	2.2
211.35843	0.9
235.08141	1.0
254.74547	0.9
255.23337	6.9
277.21799	4.0
306.40579	0.8
337.23553	4.5
344.49139	0.9
384.12842	1.0
397.13474	13.1
415.14523	2.8
419.11731	3.3
437.12689	4.7
469.06464	2.2
628.00586	1.0
653.37122	1.6
675.35352	3.2
735.52332	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	795.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72179	0.4
59.01385	5.4
61.98827	5.8
66.65489	0.4
69.03454	0.9
71.01380	3.6
71.50591	0.7
73.02950	1.5
85.02940	2.4
87.04512	2.6
88.98797	0.8
89.02438	0.6
96.96000	0.9
97.02949	0.6
99.00918	0.5
101.02454	2.4
102.04757	0.7
103.05530	4.0
108.02222	0.5
113.02433	1.5
115.00350	0.6
117.82491	0.4
125.02425	0.5
130.04243	18.4
131.05019	2.0
133.01433	0.5
133.20526	0.4
135.08167	0.6
137.09706	2.5
149.06079	7.7
155.10774	11.1
156.11111	0.5
157.02930	0.5
158.80649	0.5
159.04509	100.0
160.04854	5.8
169.12349	0.6
169.91386	0.5
179.03598	0.7
179.10812	1.3
181.08691	1.5
185.02541	0.5
191.10780	0.8
195.06580	0.6
195.10263	0.9
199.09749	11.4
201.01952	0.7
203.03500	69.8
204.03801	5.0
213.11208	0.7
223.09770	0.9
241.10786	3.7
245.04662	1.1
253.10774	1.0
255.12340	0.8
283.11862	6.1
343.13956	11.9
344.14319	0.6
347.07803	0.8
547.18182	34.4
548.18506	5.5
589.19464	0.6
649.37897	0.7
715.47473	0.5
746.13654	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.6
59.01385	7.2
61.79595	0.5
61.98832	7.7
69.03459	1.2
71.01393	4.1
71.50641	0.6
72.99338	0.7
73.02952	2.0
77.66936	0.6
85.02950	1.1
87.04513	3.5
88.98801	0.8
89.02435	0.9
95.01411	0.6
96.96015	1.9
97.02964	1.2
99.00864	1.1
101.02469	2.5
102.04767	1.1
103.05549	3.9
113.02464	1.3
113.23061	0.5
115.00337	0.7
118.51437	0.6
121.06673	0.9
121.52161	0.6
125.02464	0.9
130.04254	20.5
131.05013	1.0
133.01413	0.7
133.02963	0.8
135.04489	0.8
137.09717	2.4
139.07680	0.6
149.06088	7.4
155.10789	10.5
159.04529	100.0
160.04877	6.3
161.04614	0.6
163.11372	0.5
174.01691	1.0
179.10800	0.8
181.08704	1.1
191.10739	0.7
195.10208	1.7
199.09767	12.6
203.03514	71.8
204.03827	4.1
213.11322	0.5
224.39276	0.5
226.30870	0.6
241.10811	4.6
245.04640	1.4
253.10706	1.1
255.12325	0.8
283.11859	6.2
329.45523	0.5
343.14005	12.2
344.14053	0.8
405.00128	0.6
547.18207	35.9
548.18445	5.1
589.19177	1.2
649.37762	1.1
762.89490	0.6
795.36890	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.5
61.98833	0.4
69.03481	0.4
69.70747	1.3
71.01391	1.8
72.99305	0.6
73.02948	0.3
75.00869	1.4
77.03983	0.3
81.03471	0.6
85.02955	1.6
87.00905	0.6
89.02453	0.5
89.03976	3.6
93.03449	0.4
95.01366	0.3
95.04993	0.3
96.95987	0.3
98.19981	0.3
99.00887	1.3
101.02480	0.3
104.02682	0.5
105.03470	4.6
106.03817	0.3
107.01401	0.3
109.02982	0.3
113.02453	1.5
115.00358	0.4
133.01448	0.5
133.02965	11.7
134.03252	0.4
135.04591	0.3
135.11781	0.4
148.01663	0.6
149.02469	1.5
157.01399	0.3
161.09720	0.8
176.01163	0.8
177.01935	100.0
178.02255	4.4
179.10783	1.2
200.49585	0.2
249.06165	0.8
257.09610	0.2
333.73306	0.2
339.07141	1.1
473.16724	0.3
617.20941	2.4
618.21094	0.5
619.20447	0.5
777.22101	0.5
795.23499	17.6
796.23608	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	793.511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.1
61.98824	9.0
71.01359	2.9
71.04964	2.5
75.30418	2.3
79.95742	4.8
80.25483	2.8
80.96520	25.0
84.72717	2.4
94.98086	4.6
101.02451	2.9
102.35682	2.4
116.92843	9.4
121.10238	17.1
127.57236	2.3
134.97536	2.6
153.04393	2.5
164.98584	3.9
171.10257	50.3
191.05621	3.9
231.21182	5.7
253.09158	4.4
256.61865	2.8
263.20129	23.4
263.67255	2.5
275.20160	86.5
276.20529	8.9
293.21216	100.0
294.21521	7.9
383.74930	2.4
387.00507	2.5
534.80109	2.4
691.27515	3.2
793.51587	26.8
794.50836	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	793.5137
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98818	9.6
67.68134	3.3
68.99574	4.3
70.42551	4.5
70.42903	9.5
71.01361	12.6
78.98573	11.6
79.95332	3.2
79.95739	21.3
80.96507	97.4
85.02930	4.7
86.51512	3.5
94.98084	27.9
98.19928	3.5
101.02484	5.0
106.98099	4.1
122.97557	7.7
134.97571	6.9
148.99181	6.3
152.98593	6.5
159.71935	4.4
164.98651	19.2
171.64050	3.8
209.00397	3.2
225.00754	23.8
279.23611	4.0
365.26852	5.5
537.27545	5.0
540.73822	4.3
699.34674	4.0
793.51373	100.0
794.52148	25.6
804.03699	3.8
827.67871	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	793.5429
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	0.1
61.98829	100.0
62.98536	0.2
68.81184	0.1
69.90940	0.4
71.01389	0.1
79.95732	0.6
80.96516	1.4
94.98105	0.5
100.01345	0.1
122.97592	1.1
143.11430	0.1
152.98660	0.2
157.67119	0.1
164.98653	0.1
196.89523	0.1
225.00745	0.1
227.53883	0.1
346.53287	0.1
408.27576	0.1
417.93109	0.1
467.71960	0.1
793.52966	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98818	4.9
65.99839	5.9
68.01380	1.8
68.99830	2.0
70.68750	4.9
71.01378	4.5
73.90828	1.8
75.63948	1.5
78.98542	1.6
79.95731	2.6
80.05019	2.1
80.96515	13.2
82.99265	1.4
94.98088	3.9
96.00881	3.4
99.00879	73.1
111.91620	1.8
112.03981	1.6
114.01955	2.6
116.92898	2.3
124.00394	16.0
127.04234	1.4
134.05086	1.6
159.03008	9.0
163.43428	1.7
184.02539	8.3
188.06348	1.9
192.26408	1.7
195.32748	1.4
244.04582	5.7
255.00450	1.5
270.40533	1.5
277.21625	2.0
415.19287	1.7
428.16220	2.1
443.18692	4.2
444.19467	2.5
445.19766	1.9
457.20197	3.5
458.20993	4.1
459.21967	7.9
460.22382	2.8
461.23770	1.9
471.18326	6.3
472.22278	2.2
473.23404	5.0
485.19772	6.0
486.20581	41.1
487.21027	9.2
501.22934	100.0
502.17905	1.6
502.23511	19.2
514.22742	2.1
518.23230	4.5
533.25574	20.7
534.26056	4.3
545.21844	17.8
546.22241	3.3
551.22943	2.1
577.24756	10.4
614.23724	2.7
621.23132	7.2
658.22968	14.1
659.23749	3.1
700.23816	3.0
702.21857	2.5
718.25232	5.4
750.28088	2.5
762.24316	2.0
776.25720	2.1
793.52094	8.1
794.26892	7.3
794.52203	5.6
795.26068	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	793.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.4
61.98820	0.3
65.49676	0.1
71.01381	0.4
73.02943	3.9
75.00874	0.3
80.96510	0.8
89.02386	0.1
89.41324	0.1
94.98052	0.1
99.00871	1.0
99.92581	10.9
100.92600	0.7
101.02453	0.2
107.66848	0.1
109.04805	0.1
114.93401	0.5
115.00404	0.3
116.03618	0.2
116.92857	100.0
116.97234	2.4
117.01935	6.6
117.92867	5.0
129.80794	0.1
133.56337	0.1
160.68068	0.1
168.39371	0.1
177.59380	0.1
177.60974	0.1
254.34660	0.1
277.21634	0.2
310.95258	0.1
312.90585	0.1
335.17523	0.2
397.13611	0.3
415.14697	0.2
437.93201	0.1
498.31030	0.1
552.74988	0.1
793.51959	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4417
Annotation	A 77003
Peak:m/z	Relative Intensity
57.03442	1.1
59.80935	1.1
59.91164	1.1
61.98836	22.7
63.96210	1.5
69.36970	8.3
71.01384	11.5
73.02937	1.9
78.95894	1.1
78.98579	9.0
79.95298	1.3
79.95736	19.0
80.96522	100.0
81.03426	1.3
85.02953	1.2
87.00832	4.8
88.35853	1.1
94.98091	22.2
96.95995	2.6
97.02943	1.6
101.02398	3.0
106.98054	3.8
122.97592	5.8
125.02389	2.3
134.97574	7.1
136.99072	3.2
148.99132	8.0
152.98630	6.6
164.97394	1.4
164.98639	19.6
183.13788	2.4
206.99541	4.4
224.98787	2.0
225.00739	28.6
240.25374	1.1
279.80542	1.0
283.26282	4.2
391.74066	1.2
451.28088	1.4
509.16537	2.7
537.26508	1.7
793.43390	87.1
794.43939	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01224	0.1
59.01379	0.2
61.98823	0.4
70.97187	0.2
71.01379	0.3
73.02945	5.1
75.00861	0.3
80.96520	0.2
89.02455	0.2
99.00871	1.2
99.92583	11.9
100.92600	0.5
114.93398	0.4
115.00366	0.2
116.20119	0.1
116.92859	100.0
116.97180	0.9
117.01936	8.8
117.92870	5.5
125.02354	0.1
195.96533	0.1
244.17880	0.1
277.21667	0.3
339.92203	0.1
346.85574	0.1
397.13620	0.3
415.14890	0.2
573.07660	0.1
610.22766	0.2
793.51080	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.253
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	6.7
61.98824	1.2
70.89289	0.9
70.89623	1.1
71.01378	3.9
73.02943	2.0
81.03461	0.9
83.01382	1.2
84.87001	0.6
85.02958	1.1
87.00891	0.9
88.48593	0.8
101.02448	2.3
103.05560	0.8
107.05032	1.2
108.02160	0.7
109.02950	2.1
115.00409	1.4
121.02959	6.5
123.04522	25.3
124.01686	0.8
125.02471	0.9
130.04243	5.2
133.01419	0.9
133.02995	1.3
135.04469	3.0
136.05313	10.2
136.06274	1.2
137.02443	21.0
137.05986	1.4
138.02744	0.9
147.04471	0.8
149.02521	0.7
149.06082	1.8
150.03183	1.2
151.04007	100.0
152.04805	35.6
153.05418	1.0
159.04514	32.4
160.04858	1.4
161.02495	3.3
163.04024	1.9
163.07642	1.9
165.05606	0.8
175.07652	1.4
178.02676	0.9
179.03459	3.1
180.04276	20.0
180.05830	1.3
181.04767	1.3
189.02022	1.4
191.10799	5.1
193.08705	3.7
195.02985	20.8
196.03760	29.0
197.04218	2.2
203.03502	26.0
203.04990	0.5
203.10753	1.6
204.03790	1.9
205.08818	1.5
235.09720	4.9
247.09798	1.1
264.09955	2.9
265.10800	48.2
266.11191	4.1
267.06665	1.2
311.05588	2.0
317.72833	0.7
358.09015	23.2
359.09390	2.0
365.08801	1.5
426.17786	1.9
427.16049	97.2
428.16461	13.6
616.21552	0.8
793.26581	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	3.3
70.05428	3.2
71.01378	1.3
72.99304	2.2
80.96512	2.4
81.78323	0.9
84.00251	0.7
90.74734	0.8
99.00852	2.4
103.97187	0.9
115.76865	0.7
116.73778	0.8
124.38785	0.8
136.41295	0.8
154.99817	1.1
170.99289	1.0
172.00148	6.3
183.70705	0.9
277.21637	2.2
313.56793	0.9
333.57385	1.0
364.74750	0.9
429.50266	0.9
446.17270	1.4
455.78061	0.9
460.18927	11.6
461.19751	9.8
474.20657	1.9
475.21353	5.9
476.21747	1.2
519.20178	12.1
520.20618	2.4
533.21661	1.1
534.22443	2.2
545.25714	1.2
589.24390	2.6
590.24774	1.1
621.27136	100.0
622.27496	21.7
793.50891	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	787.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.5
59.74901	1.4
61.98827	32.1
62.78434	1.3
63.96233	2.8
69.42891	8.5
71.01383	13.5
73.02927	2.6
78.95906	1.6
78.98608	7.3
79.95732	18.0
80.96516	100.0
85.02962	2.8
87.00852	3.6
94.98086	22.5
96.96003	1.6
97.02932	2.1
98.19903	2.5
101.02420	3.6
106.98067	4.8
114.83614	1.4
122.97562	3.6
125.02418	4.3
134.97560	7.6
136.99097	3.0
148.99138	9.0
152.98590	7.0
157.42947	1.1
164.98647	19.0
183.13864	3.3
186.32529	1.3
194.33400	1.2
206.99649	3.6
225.00729	19.8
242.98792	1.4
277.21649	2.3
279.23395	1.2
509.16501	2.0
787.39374	96.8
788.39850	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	787.395
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51182	1.4
57.00206	1.3
59.01379	2.8
61.98833	26.8
63.96243	2.1
66.91579	1.4
67.33469	1.4
69.03478	1.8
70.59286	1.5
71.01384	10.5
71.41545	2.2
73.02944	2.4
78.98590	7.9
79.95750	16.6
80.96521	100.0
81.52813	1.5
85.02981	4.0
87.00881	2.7
90.33044	1.5
94.98091	17.7
96.96017	2.3
97.02952	1.5
101.02438	2.6
106.98087	4.0
122.97597	2.6
125.02455	2.5
134.97545	4.7
136.99133	2.4
148.99181	7.1
152.98633	6.7
164.98645	16.4
174.01701	1.6
183.13893	3.2
206.99719	4.4
225.00769	21.5
232.12474	1.5
238.49762	1.4
277.21719	3.1
451.49310	1.5
505.24933	1.5
509.16916	1.6
724.42847	2.0
787.39404	86.4
788.39929	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	789.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91592	0.7
56.12953	0.7
59.01366	3.4
63.02411	0.7
65.00322	2.4
71.01376	1.4
71.50152	0.9
83.01376	1.8
94.35715	0.7
107.00760	0.9
107.01390	5.4
107.63039	0.8
108.02190	1.1
109.02940	2.1
109.64882	0.7
121.02947	3.7
125.02443	1.0
135.00874	1.1
135.04539	4.1
148.01675	0.9
149.02434	1.2
151.00354	21.1
159.04524	3.2
163.00383	2.9
174.03334	1.1
175.04013	1.6
178.99860	11.8
179.03450	1.5
187.04010	1.1
199.07608	2.3
203.03520	4.7
217.08675	1.6
226.02715	1.0
227.03525	2.9
229.34361	0.8
243.02992	8.0
245.04642	0.8
254.02141	2.1
255.02988	25.1
256.03311	1.8
261.07690	8.9
271.02463	46.7
272.02771	4.7
273.03943	1.4
283.02347	1.6
299.01913	2.5
300.02728	100.0
301.03470	69.4
302.03903	4.7
313.03525	2.8
411.73178	0.8
423.12921	1.1
463.06711	15.0
464.07217	1.6
481.07693	14.1
481.18286	1.1
482.08011	1.8
511.81171	0.9
609.14569	78.0
610.14893	10.7
644.85022	1.0
789.18866	17.1
790.19611	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	787.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.8
57.03460	0.8
58.00591	1.6
59.01381	100.0
60.01727	0.9
61.98835	1.1
69.03476	2.5
71.01382	44.2
71.50364	1.2
72.02178	0.5
72.99323	1.7
73.02949	55.5
75.00890	1.0
75.77682	0.5
77.49112	0.6
81.03474	0.5
82.24721	0.6
83.01388	17.9
85.02950	6.8
87.00883	3.1
88.97396	0.6
89.02451	10.9
95.01409	2.0
96.96016	1.3
97.02952	1.4
99.00903	1.3
101.02444	56.9
102.02802	1.4
108.02211	0.8
109.02991	0.6
113.02446	18.6
117.03487	1.3
117.54433	0.5
119.03501	6.0
121.02966	2.8
122.03775	1.7
123.04578	0.8
125.02493	2.8
130.10268	0.6
131.03505	5.2
133.01462	0.8
133.02928	1.4
134.03757	1.2
135.04576	1.1
136.01662	12.7
137.02446	2.3
143.03503	6.4
145.02969	8.7
146.03719	2.5
147.04520	2.1
148.88647	0.6
149.02487	2.6
149.04564	8.5
150.03242	4.9
151.00401	4.1
151.03995	10.6
155.03542	2.4
160.05409	0.6
161.02530	5.8
161.04575	14.7
161.06079	1.5
162.03227	33.4
163.03763	2.1
165.05556	5.8
166.02721	12.9
177.05571	22.9
178.05974	1.1
180.04381	1.0
181.05063	13.9
181.06567	1.0
182.05339	0.8
189.05615	1.3
190.06441	1.3
192.04330	1.0
195.06656	5.2
203.05692	1.4
205.04967	0.6
205.08722	0.9
207.06709	0.8
219.06644	1.3
221.06732	2.1
274.90823	0.5
339.10999	2.2
357.09763	1.6
357.13638	1.2
372.12161	0.9
387.14529	10.8
388.14923	1.3
399.12411	0.7
465.31149	0.7
512.32684	0.7
535.19830	1.4
547.19739	13.1
548.20441	2.1
649.57330	0.7
692.51782	0.7
714.26233	0.7
758.87787	0.6
787.42456	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	1.1
57.03447	1.1
58.00594	1.4
58.12786	0.7
59.01377	100.0
59.55600	0.6
60.01705	1.0
61.98822	1.2
69.03448	2.7
70.57671	1.7
71.01380	45.6
72.01689	1.0
72.99313	1.6
73.02943	58.2
73.78090	0.7
74.03291	0.9
75.00872	1.4
81.03450	0.7
83.01382	19.6
85.02948	6.9
87.00887	2.8
89.02437	11.8
89.04469	0.7
95.01417	1.8
96.96009	0.9
97.02954	1.5
99.00890	1.6
99.04497	0.8
101.02438	57.8
102.02792	0.9
109.02940	1.0
113.02445	19.3
115.00401	1.0
117.03503	2.0
119.03497	7.4
119.04919	0.8
121.02980	2.3
122.03750	0.7
123.00881	1.3
123.04550	0.7
125.02482	2.4
131.03502	5.9
133.01440	1.5
133.02937	1.5
134.03740	1.2
135.04570	0.8
135.92062	0.7
136.01656	11.8
136.02652	0.9
137.02435	1.8
143.03503	5.5
145.02954	10.5
146.03722	2.7
147.04541	2.0
149.02486	2.0
149.04553	7.5
150.03186	3.7
151.00372	5.1
151.03995	11.8
155.03491	1.1
155.10912	0.7
156.61812	0.7
161.02484	6.3
161.04539	15.7
161.05928	0.8
162.03220	36.5
163.03693	1.4
165.05576	4.6
166.02701	15.0
167.03464	1.3
168.56946	0.7
177.01917	1.2
177.05563	23.6
178.02675	0.8
178.05998	0.9
179.03514	0.8
179.05705	0.8
180.04315	1.2
181.05057	15.5
183.16797	0.7
184.14076	0.8
185.53363	0.8
185.80647	0.6
189.05632	1.0
190.06436	0.8
193.29068	0.7
195.06615	5.2
203.05641	1.3
206.05861	0.8
219.06696	1.3
221.06628	1.9
232.36948	0.7
249.31017	0.7
339.10910	1.7
357.09775	2.1
372.11969	1.0
375.68530	0.7
387.14459	11.3
387.24997	0.8
388.14777	1.4
399.13089	0.8
418.56671	0.6
535.20166	1.9
547.19781	14.1
548.20068	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	787.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.3
57.03439	3.0
58.00590	5.4
59.01378	95.0
59.39812	0.8
61.98840	7.8
69.68253	5.8
71.01379	72.0
72.99315	7.2
73.02934	3.5
83.01373	2.6
83.04998	1.9
85.02946	12.8
87.00864	4.1
88.02709	0.9
89.02442	100.0
90.02760	2.3
95.01380	6.5
96.69339	0.8
96.96019	2.5
97.02984	1.2
97.06535	1.0
99.00930	1.2
99.04487	3.3
101.02440	34.0
106.75281	0.9
110.09807	1.0
111.00841	0.9
113.02444	28.7
113.06030	1.0
114.02753	1.0
115.00356	1.2
119.02670	1.7
119.03499	30.2
122.79330	0.9
125.02438	1.5
131.03494	5.7
133.01456	1.9
135.04474	1.0
143.03510	7.6
146.03712	2.4
147.04503	2.1
149.04651	4.5
149.05716	1.0
155.10770	1.6
157.02895	1.4
159.04446	3.0
161.04611	7.2
165.01973	0.9
178.02711	1.1
179.05621	18.5
179.07043	1.7
185.02388	1.3
187.07614	0.9
199.09732	2.2
203.03456	2.1
219.06503	1.7
332.10464	2.6
343.13940	1.3
347.12872	38.8
348.13348	5.4
348.16837	0.9
403.37640	0.9
434.22693	1.1
445.12903	30.6
446.13156	4.2
539.28424	1.1
625.19159	7.7
667.21747	1.3
683.39899	2.5
743.40759	1.6
787.44611	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96381	1.1
59.01384	1.9
63.46592	1.2
71.50218	1.3
79.80859	1.2
121.02978	1.8
133.02928	1.7
147.00826	1.7
174.03229	2.9
177.01866	2.1
177.26196	1.6
203.11687	1.3
214.02763	1.5
225.01945	15.0
226.02472	2.8
241.05020	3.2
242.02243	1.6
243.02878	4.8
254.02084	1.5
255.02782	1.6
256.03741	3.2
269.00922	41.5
269.04001	2.6
270.01276	4.4
281.00830	4.3
282.01733	8.3
283.02505	14.5
284.03094	4.3
285.03867	2.0
290.05847	1.5
305.04346	1.6
306.05289	2.1
317.04651	3.5
319.05984	2.5
329.03513	3.3
333.04071	3.8
334.04672	3.6
344.03317	1.8
345.03903	9.3
346.04459	2.6
347.05353	2.9
352.02100	1.4
357.02634	1.5
361.03497	14.0
362.04056	3.6
363.04691	2.3
372.02383	1.7
372.98865	2.8
373.03506	51.8
374.04041	9.5
389.02963	25.7
390.03784	22.2
391.04398	10.6
418.03287	100.0
419.03998	62.0
420.04361	5.9
433.05447	4.2
434.06195	2.9
440.46555	1.8
479.05765	2.8
617.20996	1.5
727.15155	96.5
728.15503	18.5
743.17932	2.0
744.18304	1.8
787.17157	71.0
788.17657	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	787.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26014	0.8
58.66471	0.8
59.01373	9.7
69.36239	6.3
71.01378	2.7
73.02937	1.6
74.43623	0.8
81.63991	0.8
83.01376	0.9
83.38607	0.8
89.02442	1.8
98.19932	1.9
101.02445	2.9
109.02943	3.2
121.02953	1.4
148.01611	1.7
149.02409	1.3
161.02419	1.0
161.04547	1.3
164.88283	1.0
171.88187	0.8
174.03169	1.7
175.00365	1.2
185.02322	1.0
211.03946	1.3
214.02657	2.7
224.99930	1.3
225.01933	13.1
225.05450	1.0
226.02473	1.0
228.04192	2.5
239.03493	1.1
241.05052	3.2
242.02173	1.8
243.02971	4.8
253.01436	1.9
255.02945	2.0
256.03656	3.7
269.00897	45.4
270.01251	4.1
271.02527	1.5
281.00848	4.0
281.04257	1.0
282.01694	7.4
283.02460	13.9
284.03156	7.2
285.03937	2.6
301.04898	1.2
305.04556	1.2
306.05365	1.4
307.02573	1.1
317.04581	3.5
318.05435	0.9
319.05972	2.4
329.03333	4.4
333.03934	4.7
334.04645	1.6
345.03949	10.9
346.04691	3.3
347.05450	2.7
357.02420	1.2
361.03534	13.3
362.04062	4.1
363.04953	3.4
372.02802	2.1
373.03510	56.1
374.03955	7.9
375.05133	1.9
389.02988	32.4
390.03748	20.9
391.04559	12.3
392.04852	1.5
401.02927	1.3
417.06128	1.5
418.03290	100.0
419.03986	63.8
420.04550	6.0
433.05664	4.6
434.06100	3.4
435.07034	1.5
440.41769	1.0
466.05777	1.2
478.05423	2.1
479.05945	2.7
480.06934	1.0
727.15131	72.7
728.15552	15.4
743.18280	3.3
743.40039	1.4
787.17249	95.1
788.17633	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	787.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.2
69.23617	4.7
69.24004	0.9
71.01382	11.4
84.37122	0.6
97.02950	0.7
98.20692	1.1
107.01374	0.7
109.02966	1.7
111.08210	0.6
115.00373	3.9
119.05032	0.8
121.02968	4.2
125.02437	0.9
133.01439	1.8
133.02963	8.7
135.04521	2.3
137.02321	0.5
141.72121	0.7
144.26129	0.7
147.04530	1.9
149.02446	26.0
150.02750	0.9
151.03943	0.8
152.01178	0.7
161.02493	0.8
163.00392	1.9
163.04015	2.9
164.04794	21.8
165.01935	1.7
165.05083	0.8
175.04019	3.1
177.01968	0.7
179.07167	1.7
189.05527	0.6
191.03479	1.3
193.01407	2.6
199.04036	1.7
201.01927	2.1
208.03760	4.3
213.05597	1.3
218.15282	0.6
223.06107	56.0
224.06384	2.7
225.05511	0.9
227.03516	0.7
240.04285	1.1
241.05106	0.8
253.05058	1.4
256.03464	0.6
269.04581	1.2
283.06219	0.7
284.03217	7.9
285.04028	5.7
297.04022	14.2
298.04764	8.0
299.05579	15.7
299.44009	0.6
300.05801	0.7
311.05670	1.8
316.17944	0.6
324.02615	0.7
325.03726	1.2
327.05084	100.0
328.05469	7.6
339.05124	2.8
357.06168	24.0
358.06320	2.7
369.06033	3.0
381.05917	0.7
393.06232	1.2
411.07263	0.6
447.09290	84.2
448.09683	10.5
478.93842	0.6
657.17255	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10251	0.7
59.01375	16.2
61.98860	0.8
69.36397	2.1
69.36816	3.8
71.01373	5.4
71.77605	0.8
73.02952	3.2
85.02953	1.8
89.02469	2.7
96.00895	0.8
101.02463	3.1
109.02953	3.1
113.02470	2.3
119.03542	0.8
121.02940	1.9
123.71821	0.7
125.02469	0.8
133.01485	1.2
135.04544	1.2
139.04082	0.8
148.01674	2.0
149.02440	2.0
150.03317	0.9
151.00333	1.0
154.54341	0.8
159.04539	0.9
161.02431	1.1
161.04567	0.8
174.03253	2.3
175.00369	1.7
175.03940	1.0
177.01967	1.3
184.05289	0.7
198.03189	0.8
199.04059	1.2
202.99908	1.4
204.90736	0.6
211.03947	1.0
214.02728	3.9
217.86900	0.7
225.01909	13.3
226.02582	2.1
227.03470	1.8
228.04259	3.2
231.97769	0.8
239.53905	0.7
241.05099	3.0
242.02214	2.4
243.02974	5.9
244.03354	0.8
244.09232	0.7
253.01457	1.7
254.02155	1.2
255.02916	1.6
256.03741	2.8
257.04492	1.1
267.02985	0.8
269.00897	46.0
270.01254	3.7
271.02484	1.5
277.05109	1.5
281.00912	3.9
281.04428	1.6
282.01654	7.4
283.02441	13.2
284.03159	4.2
285.04028	4.1
289.05127	1.2
290.05850	0.8
295.02454	0.9
297.03973	1.1
301.05194	1.2
305.04535	1.5
306.05267	1.6
309.00320	0.9
317.04449	3.4
318.05231	1.3
319.06009	2.5
329.03012	3.6
333.04010	4.7
334.04538	3.6
335.05759	1.0
344.03339	2.5
345.03958	11.8
346.04660	2.9
347.05545	2.6
347.16968	0.9
357.02606	2.0
361.03479	14.6
362.04099	4.2
363.04987	5.9
372.02740	1.1
373.03479	54.3
374.03848	8.0
375.05078	1.9
389.02985	32.9
390.03738	21.7
391.04459	13.2
392.04828	1.0
401.03003	2.7
418.03265	100.0
419.03964	64.8
420.04471	7.6
433.05664	5.4
434.06253	3.0
435.06763	1.1
466.05420	1.0
478.05289	1.9
479.06216	2.5
485.61090	1.0
683.38574	2.4
701.39233	1.0
727.15082	74.0
728.15308	15.2
738.98108	0.8
743.17908	4.3
743.40179	1.4
787.17206	92.6
788.17383	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	786.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.81070	0.1
62.98540	0.2
78.33298	0.1
83.31313	0.1
92.80632	0.1
100.42349	0.1
103.21067	0.2
112.43950	0.1
144.72263	0.1
210.67848	0.1
277.21893	0.3
337.11630	0.1
410.16156	0.2
469.67151	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	786.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61158	0.4
59.01387	1.4
61.98833	100.0
71.01395	0.8
71.12866	0.9
71.13233	0.4
73.91527	0.4
80.96535	1.7
89.02456	0.7
97.42347	0.4
101.02474	0.5
113.02451	0.7
116.92867	1.9
117.92925	0.7
133.23000	0.4
141.52754	0.5
161.04549	0.5
165.12877	1.4
183.13902	16.5
184.14230	0.8
186.09212	0.4
191.98489	0.4
227.12978	0.9
253.09424	0.8
277.21765	5.7
403.97504	0.5
463.22049	0.7
723.43219	21.2
724.43567	4.6
787.39813	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	786.428
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
74.76572	0.1
83.54819	0.1
95.33577	0.1
101.26772	0.1
143.48222	0.1
148.14537	0.1
155.01466	0.2
174.49492	0.1
248.94687	0.2
314.35086	0.2
577.36554	0.2
787.39441	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00122	0.6
57.03454	1.2
58.00615	0.6
59.01384	14.6
60.22367	0.6
61.98820	1.4
64.08016	0.5
69.03447	0.9
70.80513	1.6
71.01384	10.9
71.47205	0.5
72.99316	0.9
73.02934	3.0
73.67790	0.5
75.00871	1.2
76.95534	0.5
79.34733	0.5
83.01377	0.9
85.02973	2.6
87.00862	1.2
89.02450	4.7
95.01378	0.9
96.96028	0.6
97.44348	0.5
99.00900	1.1
101.02445	5.9
113.02448	2.4
119.03453	0.8
121.03033	0.5
123.04540	1.6
125.02428	0.6
131.03499	0.5
131.04817	0.5
133.01421	0.8
161.02547	0.7
161.04539	0.9
185.01003	0.8
192.36505	0.6
203.03232	0.6
271.19095	0.5
329.23428	0.9
339.25369	0.7
357.26437	4.9
373.26028	1.1
375.27490	12.8
376.27820	2.0
477.19012	0.7
489.18683	0.6
501.33337	0.7
519.31763	10.1
520.32275	1.0
535.31158	1.2
537.32788	100.0
538.33105	12.6
577.32391	0.8
579.33777	7.0
741.39532	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	786.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.0
61.98829	100.0
69.50269	3.3
71.01396	0.9
79.95780	0.6
80.96523	1.0
85.02919	0.5
89.02425	0.8
89.40055	0.6
90.10729	0.5
101.02462	1.0
113.02379	0.7
116.92887	1.2
117.41507	0.5
133.70064	0.5
138.22830	0.5
146.00719	0.5
165.12796	2.3
183.13890	14.0
184.14241	0.7
209.11856	1.1
253.09256	1.3
277.21695	18.3
278.22211	2.3
304.86636	0.5
376.59424	0.6
499.46243	0.5
692.64038	0.5
723.43201	29.7
724.43622	7.6
755.93414	0.5
784.63190	0.5
787.39716	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87584	0.6
61.98817	2.4
62.08340	0.7
71.41425	1.3
71.41812	0.8
78.60402	0.7
81.21909	0.6
91.01889	1.0
102.75880	0.7
105.01968	1.6
107.01226	0.7
108.90189	0.9
121.02949	100.0
122.03289	3.2
165.01897	2.8
181.06606	2.4
191.03468	3.0
208.82590	0.7
209.04532	69.1
210.04893	3.4
225.05516	2.1
299.14359	0.7
313.07141	3.9
317.00854	0.7
330.20413	0.7
357.06064	2.1
390.64673	0.7
401.08722	10.5
785.17584	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.8
56.09980	0.5
57.03434	0.8
58.00600	0.6
59.01377	12.2
61.98815	0.5
69.03468	0.4
69.36007	2.9
71.01009	0.6
71.01381	8.6
72.99306	1.0
73.02940	4.5
75.00893	0.5
83.01389	1.7
85.02934	2.9
85.09185	0.3
87.00872	0.7
87.04488	0.6
89.02446	3.2
95.01387	0.7
95.07468	0.3
98.06912	0.4
99.00881	1.2
101.02443	5.2
107.36374	0.4
108.02205	0.8
113.02458	3.8
119.03484	1.1
119.13248	0.4
123.04498	0.8
123.08185	0.4
125.02463	0.6
134.03694	0.5
135.04437	0.5
149.02522	0.4
149.04431	0.4
150.03218	0.6
152.01161	1.1
155.10754	1.1
157.12343	0.7
165.01971	0.4
165.05548	1.1
167.03450	1.6
169.12387	0.6
175.02451	0.4
180.04243	0.6
185.11800	0.9
195.06621	0.7
198.40256	0.3
199.09702	0.6
200.10107	0.4
215.12785	0.5
227.07056	0.4
298.05072	0.3
304.20929	0.3
329.23260	1.5
357.26477	4.8
362.10965	0.4
363.50531	0.4
373.25986	0.5
375.27469	12.6
376.27859	1.2
400.30215	0.5
445.50211	0.3
519.31757	11.8
520.31946	1.7
537.32770	100.0
538.33105	16.2
561.32898	0.7
579.33789	7.1
580.34253	1.1
625.15704	0.5
741.38678	1.1
785.26868	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59330	0.1
59.46973	0.1
61.98829	100.0
62.98532	0.1
70.51121	0.2
71.01397	0.1
72.10876	0.1
74.02442	0.1
78.60938	0.1
80.96519	0.3
91.26395	0.1
103.00378	0.1
110.31390	0.1
112.22245	0.1
113.47791	0.1
116.92844	0.2
136.08867	0.1
209.11942	0.1
225.11272	0.1
277.21817	0.5
278.22229	0.3
731.95819	0.1
784.42914	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	0.2
61.98833	100.0
62.98523	0.3
73.39542	0.1
80.96553	0.2
98.20770	0.2
116.07401	0.1
152.39845	0.1
177.61969	0.1
194.38913	0.1
208.10474	0.1
209.12000	0.1
211.95470	0.1
226.11748	0.1
277.21848	0.4
278.22095	0.2
311.89536	0.1
601.37775	0.1
784.42603	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	783.4541
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.5
61.98824	11.7
65.75529	3.3
71.01387	3.6
75.00887	4.2
83.05019	4.0
89.02440	3.5
98.20654	10.6
101.02456	3.4
135.31178	2.9
138.38478	3.3
163.11308	4.5
173.00983	3.4
175.22112	2.6
192.61230	2.8
209.09894	6.5
209.11824	100.0
210.12178	6.3
227.12816	17.5
243.97887	3.1
253.09355	10.3
277.21744	60.8
278.22165	5.9
285.68494	2.8
352.22552	3.0
370.07465	3.1
470.06168	3.5
502.15897	3.7
684.35211	3.1
750.98865	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	783.4533
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34027	3.8
56.10525	2.9
59.01370	5.5
60.07594	3.1
61.52753	2.9
61.98821	18.7
70.68651	8.4
71.01407	4.0
74.27360	3.7
75.00867	3.6
101.02380	3.7
117.01443	3.6
146.89162	2.9
166.54185	3.4
175.88242	3.2
194.46526	3.1
194.84239	4.0
209.11830	68.1
227.12943	7.6
235.08362	5.4
253.09283	6.4
277.21698	100.0
278.22052	7.7
308.58932	3.1
438.52142	3.1
465.78836	3.5
783.43671	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	783.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	4.2
58.00592	4.1
59.01377	40.8
61.98833	5.5
69.18812	3.9
69.19215	21.7
71.01382	20.7
72.99305	2.2
73.02953	24.3
75.97617	1.9
83.01380	4.6
85.02944	12.4
87.00871	3.2
87.03756	3.5
87.04018	2.1
87.04519	25.0
89.02462	11.5
93.03454	3.6
96.96004	4.9
97.02971	3.7
97.06602	2.4
99.00867	2.7
99.04522	2.7
101.02457	15.4
109.02975	3.3
113.02456	9.1
119.03502	3.4
121.02943	3.6
122.03695	9.3
123.04493	3.1
123.08131	2.4
125.02436	5.7
133.01428	2.4
133.02988	3.2
134.60445	2.3
135.08118	4.0
137.02443	7.7
137.09706	23.9
139.07629	5.4
139.11281	2.7
149.02463	15.5
150.03227	87.2
151.03903	4.6
152.01161	7.1
155.10771	100.0
156.11081	7.7
165.00552	4.1
165.01920	50.6
165.05553	73.8
166.02657	8.9
166.05965	2.9
167.03481	11.2
167.10812	3.9
169.12384	5.2
179.03520	2.9
179.05672	4.0
179.10768	12.5
180.04265	40.2
181.05069	18.6
181.08713	9.6
191.10779	8.9
193.12389	3.5
195.06627	98.3
195.10291	4.9
196.07040	5.9
199.09773	70.9
199.13393	2.8
200.10071	2.3
210.05098	2.4
213.11339	4.3
223.09558	3.1
240.93877	2.5
241.10826	24.4
243.08765	5.1
253.10719	3.5
255.12378	6.9
283.11850	39.1
283.14673	4.2
343.13980	33.5
373.25861	4.2
425.14789	3.5
435.05298	2.4
439.15881	7.2
517.30389	3.3
535.31256	30.5
536.31793	2.6
539.21381	5.8
577.32239	17.4
739.37646	23.7
740.38330	3.2
783.30847	88.8
784.31244	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	783.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	4.2
58.00592	4.1
59.01377	40.8
61.98833	5.5
69.18812	3.9
69.19215	21.7
71.01382	20.7
72.99305	2.2
73.02953	24.3
75.97617	1.9
83.01380	4.6
85.02944	12.4
87.00871	3.2
87.03756	3.5
87.04018	2.1
87.04519	25.0
89.02462	11.5
93.03454	3.6
96.96004	4.9
97.02971	3.7
97.06602	2.4
99.00867	2.7
99.04522	2.7
101.02457	15.4
109.02975	3.3
113.02456	9.1
119.03502	3.4
121.02943	3.6
122.03695	9.3
123.04493	3.1
123.08131	2.4
125.02436	5.7
133.01428	2.4
133.02988	3.2
134.60445	2.3
135.08118	4.0
137.02443	7.7
137.09706	23.9
139.07629	5.4
139.11281	2.7
149.02463	15.5
150.03227	87.2
151.03903	4.6
152.01161	7.1
155.10771	100.0
156.11081	7.7
165.00552	4.1
165.01920	50.6
165.05553	73.8
166.02657	8.9
166.05965	2.9
167.03481	11.2
167.10812	3.9
169.12384	5.2
179.03520	2.9
179.05672	4.0
179.10768	12.5
180.04265	40.2
181.05069	18.6
181.08713	9.6
191.10779	8.9
193.12389	3.5
195.06627	98.3
195.10291	4.9
196.07040	5.9
199.09773	70.9
199.13393	2.8
200.10071	2.3
210.05098	2.4
213.11339	4.3
223.09558	3.1
240.93877	2.5
241.10826	24.4
243.08765	5.1
253.10719	3.5
255.12378	6.9
283.11850	39.1
283.14673	4.2
343.13980	33.5
373.25861	4.2
425.14789	3.5
435.05298	2.4
439.15881	7.2
517.30389	3.3
535.31256	30.5
536.31793	2.6
539.21381	5.8
577.32239	17.4
739.37646	23.7
740.38330	3.2
783.30847	88.8
784.31244	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	783.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00584	0.4
59.01378	100.0
60.01711	1.4
69.03471	0.8
69.69236	1.3
69.69666	0.9
71.01381	15.3
72.99296	0.4
73.02943	16.9
83.01382	5.2
85.02953	3.1
87.00906	0.9
89.02442	6.6
95.01421	0.7
97.02985	0.4
98.20044	0.5
99.00842	0.7
101.02441	17.2
113.02443	7.4
113.03166	0.6
119.03497	3.2
125.02469	0.5
125.40417	0.3
130.04266	1.5
131.03531	2.0
133.01421	0.4
135.04549	0.6
143.03511	1.7
149.04588	3.9
149.06064	0.7
150.03218	0.4
159.04517	12.2
159.05804	0.7
160.04906	0.5
161.04555	8.9
162.04994	0.5
167.10771	0.4
179.05635	0.4
203.03513	13.1
203.05582	1.0
204.03999	0.7
221.06660	2.8
331.17566	2.3
332.17682	0.4
365.08978	1.3
373.18671	8.0
373.23160	0.6
374.19150	0.7
783.30859	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	12.0
71.01382	9.7
72.01704	0.4
72.99297	0.6
78.95901	0.6
85.02937	1.7
87.00843	0.6
89.02448	8.0
101.02443	3.8
108.02169	2.3
113.02448	3.0
115.00341	2.1
117.03465	4.2
119.03489	4.9
121.02950	12.2
122.03367	0.5
123.04522	0.9
133.01436	1.0
134.03757	7.0
135.04550	0.4
138.05600	3.0
139.05951	0.6
145.02985	2.6
147.04503	1.0
149.04576	0.5
149.06070	0.9
152.01135	4.7
161.04599	0.9
163.04013	1.6
167.03491	9.3
168.03847	0.5
173.02449	7.8
174.03207	34.9
175.03572	2.4
177.01985	0.7
178.02618	0.6
179.03470	0.8
179.05589	1.1
184.10963	0.4
189.05565	34.9
190.05962	2.5
191.03496	0.6
193.03345	0.9
193.05046	13.4
194.05434	1.3
201.01923	100.0
202.02271	7.5
211.13481	0.5
233.04533	25.8
234.04840	1.7
237.04018	1.3
245.13284	0.4
297.03967	0.6
309.06168	0.9
327.05365	0.7
395.09790	36.4
396.10120	4.0
447.09314	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.4335
Annotation	Unknow
Peak:m/z	Relative Intensity
59.60120	0.2
61.98829	100.0
63.78501	0.2
63.88167	0.2
68.61473	0.2
69.64337	1.3
74.75407	0.2
75.00859	0.6
78.95925	0.2
80.96514	0.9
143.70779	0.2
151.29994	0.2
204.73062	0.2
228.26312	0.2
278.21994	0.3
399.59622	0.2
628.37189	0.3
696.90039	0.2
782.40698	1.0
783.41699	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.163
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38310	1.9
59.01375	7.5
71.01372	5.0
71.16279	4.0
73.02946	2.4
75.00849	2.6
78.95913	2.5
108.02175	2.2
109.02937	3.7
113.02425	1.9
115.00388	3.4
119.05116	2.2
121.02923	5.8
133.01385	6.7
133.02937	2.9
134.03723	6.4
135.02983	5.4
135.04520	2.8
137.02402	2.2
147.00854	4.2
148.01678	2.7
149.02391	2.9
151.00409	3.5
152.01140	3.2
161.02425	2.9
163.00328	10.4
164.01154	2.2
165.01907	3.3
167.03503	3.8
175.00352	6.7
175.03937	2.8
176.01093	5.2
177.01897	6.6
178.99762	3.9
183.04533	2.2
189.01938	3.1
189.99011	3.1
190.99892	5.9
192.00558	4.7
193.01385	2.5
193.05090	11.3
198.03255	3.6
199.03941	3.7
202.99806	3.8
206.99449	2.1
210.03098	1.6
211.03986	10.6
213.01849	1.8
215.03471	2.2
218.99393	1.8
220.00084	4.0
223.04312	2.2
226.02649	5.6
227.03493	14.4
228.04201	2.3
233.00842	2.8
237.01924	2.5
239.03464	6.8
240.04082	2.6
241.05109	2.3
242.02185	2.3
243.02908	3.5
253.01274	1.7
254.02080	4.0
255.02997	22.2
256.03650	10.1
257.04431	5.7
261.23807	1.8
265.01514	2.9
266.02292	3.8
267.02914	12.3
269.04547	2.5
270.01764	2.3
271.02505	17.6
272.03009	2.4
281.00815	4.4
282.01651	8.7
283.02454	100.0
284.03043	11.6
285.04092	9.9
294.01672	5.1
295.02316	8.6
299.01840	3.7
300.02689	8.2
301.03394	5.4
310.01114	9.6
311.01944	83.9
312.02679	26.9
313.03439	15.0
314.04135	3.3
321.00330	15.1
327.01422	2.6
328.02194	22.6
329.02713	9.7
338.00641	4.9
338.81009	2.0
339.01401	90.2
340.02008	14.9
341.02792	3.0
356.01654	7.4
357.02545	2.7
370.03232	2.1
444.95966	1.7
485.52963	2.2
529.12231	2.2
621.14532	14.0
622.15161	2.0
635.12451	4.1
637.14014	36.4
638.14417	5.2
647.12476	64.1
648.12646	10.4
663.12891	3.0
665.13580	60.2
666.14050	11.3
691.14996	3.4
721.14984	2.1
753.78943	2.1
781.92242	2.2
783.16492	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	781.3868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.3
61.98827	1.2
71.50349	0.3
71.50733	0.4
72.00910	0.7
72.99310	8.1
74.02464	0.6
75.00879	4.9
87.00878	1.2
103.00373	3.4
104.03542	3.1
105.01938	100.0
106.02264	1.5
153.33792	0.3
172.00177	0.3
172.38728	0.3
181.56627	0.3
238.69722	0.3
262.02472	0.3
314.04837	0.3
327.23172	0.3
397.13309	0.4
405.69196	0.3
444.34457	0.3
598.00604	0.3
608.25555	0.6
609.26385	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	10.8
60.46141	0.5
61.98815	2.2
70.10258	0.6
70.10597	2.3
71.01377	2.9
71.05013	0.9
73.69687	0.5
75.17872	0.5
80.96519	1.5
83.01353	0.5
85.02952	0.8
87.00873	0.9
89.02446	0.8
92.72712	0.5
96.96020	1.1
97.02946	3.6
97.06583	0.9
99.00883	6.7
101.02460	2.7
109.06540	0.7
113.02477	1.6
115.92066	0.6
116.92883	0.9
125.09732	2.1
132.38496	0.6
135.08131	0.7
136.05272	0.7
142.02719	1.3
161.04556	1.1
162.69235	0.6
163.11266	4.3
172.59586	0.5
181.12347	7.9
207.10249	25.2
208.10599	1.5
225.00624	0.6
225.11310	52.7
226.11647	3.8
235.08224	2.8
243.12346	6.4
253.09288	3.8
267.12360	1.0
277.21707	100.0
278.22049	10.3
280.68262	0.6
443.19202	4.5
461.20276	7.0
513.30621	0.9
549.90173	0.5
577.37573	0.6
721.41602	19.4
722.42487	4.2
781.40179	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4376
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	14.8
59.31748	0.6
61.76056	0.6
61.98829	2.5
67.66065	0.6
71.01373	4.3
71.07023	1.3
73.02941	1.0
80.95516	0.6
84.58163	0.6
85.02953	0.8
87.00888	1.6
89.02440	2.1
97.02951	5.9
97.06568	0.9
99.00883	10.6
101.02444	2.2
109.06595	1.1
110.03716	1.2
113.02453	2.2
125.02409	1.2
125.09711	3.1
135.08194	1.1
136.05325	0.8
142.02696	2.5
149.82025	0.7
161.04520	1.3
163.11288	8.6
179.10812	0.9
181.12338	17.9
182.12575	0.8
199.13405	1.4
207.10248	47.1
208.10612	2.8
209.90048	0.7
225.11316	100.0
226.11664	6.4
227.04504	0.6
235.08206	1.8
236.69170	0.6
243.12341	10.2
253.09187	3.0
263.20169	5.1
277.21719	82.9
278.22055	7.2
281.24741	3.8
292.30011	0.7
367.02222	0.7
437.87195	0.6
443.19168	4.2
461.20276	42.1
462.20651	4.0
647.65948	0.7
721.41559	25.9
722.41772	5.8
781.41156	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4588
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	17.5
61.98837	7.6
68.67633	1.3
71.01376	3.3
71.49758	1.8
85.02944	1.4
89.02431	1.6
101.02441	2.4
116.80460	1.2
166.82661	1.4
167.10732	2.8
189.48827	1.4
195.13924	6.6
205.12305	7.8
223.13393	71.8
224.13770	5.1
224.19666	1.4
235.08215	5.0
253.09296	11.0
260.52200	1.3
277.21729	100.0
278.22058	9.6
354.08295	1.5
372.42288	1.4
441.21774	1.9
459.22421	8.8
719.44830	1.3
783.99799	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	779.462
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31940	0.6
61.98814	2.1
71.50159	0.7
75.51940	0.6
75.66183	0.5
79.95747	1.7
80.14075	0.5
85.11226	0.5
96.96009	78.9
115.39612	0.5
115.54816	0.5
121.02940	1.5
151.37817	0.5
162.59541	0.5
175.88882	0.6
183.60452	0.5
265.14771	100.0
266.15045	6.7
513.23108	0.7
531.24158	1.3
532.24432	0.7
575.22833	1.8
607.25659	7.8
608.26117	2.7
713.44141	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.0
59.01382	27.8
61.98825	5.0
64.59599	0.8
71.01373	2.8
72.00904	2.7
74.02470	2.5
75.00876	54.0
75.11977	0.7
82.00089	0.8
86.66772	0.8
89.02450	2.0
98.04543	0.7
101.02441	3.0
102.01962	2.1
102.02731	0.8
103.00377	100.0
103.04011	6.7
104.00721	1.8
104.03540	8.4
106.12772	0.9
154.99834	0.8
172.00175	2.0
190.59825	0.9
277.21674	5.0
397.13672	6.6
398.13794	1.2
415.14600	3.7
460.19266	1.6
475.21481	1.9
513.23108	1.5
514.23505	0.9
531.23773	4.4
532.23779	1.0
534.21796	0.9
575.23022	4.5
576.22992	1.5
607.25610	26.0
608.25830	6.5
746.90497	0.8
779.58813	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
61.89743	0.4
61.98821	3.1
69.21328	4.2
71.01371	0.9
72.99299	1.1
83.52693	0.5
87.00853	0.5
95.55318	0.4
96.96008	22.3
99.00857	1.7
106.06628	2.3
113.37091	0.5
124.98837	0.6
140.98232	0.5
142.99869	0.8
154.99840	1.9
170.99362	0.8
172.00121	4.7
173.00874	1.9
174.05719	0.5
209.44958	0.5
221.10785	0.7
223.08533	0.6
223.12346	0.7
225.13933	1.0
265.10025	1.2
265.14752	34.2
266.15112	1.0
277.09717	1.0
279.11542	0.6
291.11612	0.6
309.12341	0.6
328.14520	0.7
384.16855	0.5
396.17474	0.6
398.18832	2.4
431.75690	0.6
457.20297	0.6
460.18903	4.8
461.19073	0.8
471.21671	0.6
472.22446	1.1
473.19211	0.5
474.20422	1.2
475.21271	5.7
487.24942	1.9
488.22144	1.0
498.20615	3.6
501.19308	0.8
502.19772	1.1
503.20914	1.4
513.22913	6.5
514.23254	1.1
516.21307	2.4
517.22302	0.9
519.20392	2.9
529.21765	0.6
531.23975	14.2
532.24298	2.2
534.22522	2.7
538.19879	0.6
575.22961	15.9
576.23010	3.1
595.04889	0.5
605.24255	1.9
607.25580	100.0
608.25891	21.1
673.21954	0.8
675.21283	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.5476
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63626	0.1
55.36826	0.1
61.98827	100.0
62.77376	0.1
66.24092	0.1
70.15781	0.3
70.16129	0.2
72.79944	0.1
95.67163	0.1
98.20004	0.1
108.30781	0.1
172.80603	0.1
181.68906	0.1
189.29353	0.1
224.21739	0.1
397.24835	0.1
714.55609	0.1
722.93378	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	779.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41018	0.4
59.01380	1.3
61.98827	2.5
64.32473	0.5
69.38901	2.3
71.01310	0.4
82.02962	3.3
93.33387	0.3
96.96015	0.7
101.02439	0.4
106.06621	3.3
108.04613	0.5
110.02475	0.7
117.03468	0.6
122.06110	0.9
127.71045	0.5
132.04546	9.8
133.05307	0.4
134.06120	15.3
135.04500	0.6
135.06436	0.6
136.04010	1.4
148.04048	0.7
149.02411	0.7
149.04797	1.4
149.05978	0.7
150.03247	0.7
160.04044	9.6
161.04819	16.3
162.05600	38.3
163.05925	1.6
165.05540	0.9
175.04031	0.5
176.03465	1.3
178.42419	0.4
186.05544	0.4
187.60347	0.4
191.03523	0.4
193.03784	26.3
194.04227	1.4
201.01913	14.7
201.03792	0.7
202.02264	1.1
212.07140	1.6
213.07954	0.7
213.81352	0.4
214.08710	1.7
226.08699	0.8
240.10620	0.5
241.06149	2.2
242.11786	2.5
243.11334	2.2
257.09360	4.4
267.11325	0.5
268.09671	1.2
269.09235	3.1
285.12436	29.1
286.12726	3.5
311.10294	4.5
329.11398	100.0
330.11734	9.3
420.51501	0.5
421.18619	0.6
591.54022	0.4
617.86255	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.8
56.60823	0.3
57.03449	0.7
58.00603	0.4
59.01379	100.0
60.01720	1.2
69.34235	1.6
71.01381	13.9
72.99325	0.6
73.02946	3.2
83.01394	1.8
85.02956	5.1
87.00878	0.7
89.02448	8.5
89.65507	0.2
95.01363	1.1
95.23075	0.2
98.20721	0.5
99.00873	1.5
101.02443	10.4
110.82919	0.2
113.02450	6.5
115.48473	0.2
119.03500	3.6
125.02457	0.6
131.03506	0.5
143.03499	1.6
158.73343	0.3
159.03004	0.8
161.02460	0.9
161.04553	5.1
175.04047	0.5
175.57065	0.2
179.05608	4.2
179.07033	0.4
189.01930	2.6
203.03497	0.3
225.05598	0.2
243.06604	1.2
261.07684	3.3
261.10416	0.3
269.07428	0.5
269.10315	9.7
270.10648	0.6
311.11356	6.1
312.11795	0.5
423.12952	7.1
424.13513	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.44
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	79.2
66.92211	44.7
71.50729	52.6
87.61610	44.6
130.01250	45.0
138.71555	52.6
228.67017	45.5
277.21707	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	775.4644
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.6
69.65478	0.6
71.01362	0.3
73.02944	0.3
78.95912	1.7
79.95740	3.2
96.96015	100.0
96.96999	2.8
97.95963	0.3
101.02464	0.3
103.81163	0.1
108.30327	0.1
112.58080	0.1
115.00344	0.1
133.01463	0.2
135.04539	0.2
135.47334	0.1
143.56401	0.1
144.76418	0.1
161.04623	0.1
165.68629	0.1
186.48285	0.1
209.04411	0.1
276.32800	0.1
277.28131	0.1
293.08255	0.2
299.15930	0.2
610.96912	0.1
775.47156	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	773.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.9
59.01384	11.9
61.98837	10.9
63.45429	1.6
71.01382	7.2
71.39873	1.8
71.40192	2.5
74.76882	1.9
79.62537	1.5
85.02950	8.3
86.63558	1.7
89.02436	3.8
93.44854	1.7
97.06625	2.5
101.02438	5.8
107.94711	1.7
113.02454	2.5
116.92874	2.5
131.74649	1.5
135.85773	2.0
137.09698	2.2
154.89642	2.1
161.04562	2.5
165.12825	11.1
171.10292	27.2
179.05522	1.9
183.13902	72.4
184.14189	4.5
185.11842	1.7
201.11301	2.0
209.11832	5.0
211.13393	14.9
221.11903	2.8
227.12943	3.9
229.14430	9.5
235.08220	2.4
253.09305	6.6
291.19626	4.0
309.20734	3.2
327.18219	3.0
327.21783	34.5
463.22028	2.2
474.98618	1.7
563.31543	2.2
659.14404	1.7
773.43323	100.0
774.43848	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	774.319
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.9
71.01383	1.2
71.49693	0.2
71.50074	0.3
72.99374	0.2
73.02942	0.3
83.01373	0.2
85.02951	0.4
87.00831	0.2
89.02451	0.6
99.00880	0.2
101.02448	1.0
104.90836	0.2
107.04980	0.2
108.02173	0.2
113.02495	0.5
119.03506	0.2
123.03270	5.9
124.03620	0.2
129.01485	0.2
135.04492	0.2
138.05606	100.0
139.05946	4.3
159.04532	0.2
160.11057	0.2
161.04590	0.4
192.06651	0.7
199.04053	0.2
225.15041	0.3
255.03169	0.2
256.03296	0.4
270.09036	0.3
271.02396	0.6
272.02887	0.3
282.09808	3.8
283.10135	0.3
300.02759	0.8
300.10886	2.1
301.03329	1.0
302.03558	0.2
327.04715	0.2
342.11948	1.5
343.12134	0.2
360.12939	0.3
364.24286	0.2
387.20230	3.8
388.20615	0.4
403.70670	0.2
471.61771	0.2
609.13947	0.4
610.15448	0.9
612.18378	0.2
690.77881	0.2
767.14728	0.2
774.19806	0.6
775.21027	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	0.9
71.01367	0.4
71.49837	0.3
71.50227	0.3
72.73884	0.3
78.95903	6.0
78.96317	0.2
79.95737	3.2
94.98068	1.6
96.00918	0.3
96.96010	100.0
96.96909	7.3
97.95906	0.3
98.02461	0.8
98.90702	0.4
110.88721	0.2
112.08276	0.3
114.00792	0.3
114.90077	0.3
241.05484	0.3
277.21646	0.5
339.20325	0.3
713.30988	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.3
59.12209	0.2
61.98809	0.4
64.94250	0.1
66.02685	0.1
71.01373	0.3
75.70308	0.2
78.95903	5.1
79.95733	3.5
94.92495	0.2
94.98070	0.4
96.96009	100.0
96.96902	6.2
97.95930	0.5
101.02438	0.2
151.77086	0.2
156.98102	0.2
202.79413	0.1
277.21692	0.4
340.45169	0.2
361.04611	0.2
397.13467	0.2
403.88272	0.1
435.08255	0.4
453.09387	0.7
625.13116	0.2
713.30884	0.4
773.42645	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86392	0.2
56.49255	0.2
61.98825	1.0
70.98392	0.5
71.01379	0.3
78.95901	5.5
79.95735	3.6
94.98093	0.9
96.96011	100.0
96.96915	8.1
97.95956	0.4
98.02444	0.4
98.90727	0.3
123.80202	0.2
277.21820	0.3
313.87460	0.3
328.87128	0.3
397.13565	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.3
57.03448	1.6
58.00584	1.2
59.01378	100.0
60.01702	1.5
61.98837	1.3
69.03465	1.5
71.01382	38.2
72.99316	0.9
73.02945	43.3
75.00881	0.9
81.03462	0.7
83.01389	12.3
85.02961	8.5
86.52190	0.6
87.00909	1.6
89.02447	13.4
95.01400	3.0
96.02447	0.6
96.96014	1.0
98.20662	1.9
99.04566	0.6
101.02441	39.5
102.02786	1.1
113.02448	27.0
119.03506	8.8
125.02466	2.7
131.03465	4.8
143.03520	6.7
149.04590	3.3
150.06915	0.8
152.29320	0.7
155.03568	1.8
161.04546	13.0
179.05608	5.3
203.05603	2.0
221.06592	2.2
583.31390	1.9
590.30121	0.8
643.33368	2.3
729.39978	2.0
731.75269	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23059	0.1
59.01371	0.2
60.30195	0.1
61.98824	0.4
64.04304	0.1
69.82375	0.1
71.01379	0.2
72.12656	0.1
73.02947	2.4
74.03286	0.1
75.00869	0.1
80.96509	0.1
87.27712	0.1
98.19899	0.4
99.00879	0.4
99.92588	9.9
100.92611	0.5
114.93444	0.4
115.00404	0.3
116.92867	100.0
116.97245	2.3
117.01944	4.5
117.92877	5.9
122.97581	0.3
156.90048	0.1
255.23239	0.2
283.03348	0.1
294.60782	0.1
313.19260	0.2
317.12646	0.1
397.13452	0.1
473.10986	0.1
526.61346	0.1
605.24774	0.2
703.48541	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.3
59.01378	9.4
61.98806	4.2
65.48119	1.2
69.03439	1.8
70.62401	4.2
71.01378	6.6
71.05007	4.2
73.02927	1.4
78.63965	1.1
83.05031	2.6
87.00877	2.5
89.02430	2.4
95.05017	2.0
97.02946	5.6
97.06590	4.8
99.00883	18.6
101.02444	5.5
109.06567	1.6
110.03750	1.4
111.08149	2.4
113.02437	1.8
122.97610	1.8
123.08142	1.6
125.09740	9.8
125.24202	1.4
145.03189	1.2
153.12833	1.4
163.11293	11.7
165.12805	2.1
171.10205	3.9
181.12337	22.2
183.13936	6.8
194.10767	1.5
197.11801	7.1
199.13383	10.8
207.10242	21.6
209.11844	2.8
223.13506	1.7
225.11324	38.1
226.11740	2.4
227.12790	2.7
243.10121	1.7
243.12392	19.1
253.09096	3.2
291.19608	4.7
309.20706	6.1
313.35925	1.4
461.20273	2.5
479.21347	5.9
771.41699	100.0
772.41943	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	773.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78670	0.8
55.01888	1.3
57.03452	2.3
58.93756	0.8
59.01383	100.0
61.98834	1.9
69.03476	2.0
71.01385	47.3
71.50645	0.9
71.51010	0.9
72.01707	1.2
72.70827	0.8
72.99300	1.8
73.02948	36.1
82.69144	0.8
83.01394	9.7
85.02958	14.8
87.00883	3.5
89.02448	21.1
95.01369	4.1
97.02952	1.1
101.02448	36.5
109.06593	1.0
113.02460	32.2
114.02762	1.9
119.03501	8.2
125.02415	4.3
131.03517	4.2
134.43982	0.8
137.06035	1.6
143.03519	6.4
149.04575	4.3
151.07697	1.0
155.03560	1.9
161.04576	12.5
179.05641	5.9
179.07025	0.9
201.10300	1.0
203.05577	2.0
221.06691	2.3
299.09201	0.9
492.23804	0.9
565.30310	2.2
583.31244	10.7
584.31488	2.0
591.34192	1.3
601.32208	4.2
602.32062	1.1
625.32477	3.4
627.34351	2.3
643.33069	5.5
644.33978	1.2
669.38751	1.3
711.40308	1.0
713.43140	1.0
729.40790	1.7
734.30914	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.6
57.03442	2.7
59.01378	20.0
61.98799	1.0
67.01904	1.1
68.99809	1.2
69.03448	1.5
71.01380	21.0
72.99313	6.0
73.02940	3.5
75.00871	13.8
79.78837	0.7
81.03445	1.6
83.01382	2.3
85.02950	13.6
87.00877	4.9
89.02438	5.1
93.03489	1.6
95.01383	4.2
95.05025	1.2
95.82666	0.9
97.02938	1.4
98.20661	2.1
99.00883	12.0
101.02480	4.8
103.00343	1.8
106.13182	0.7
111.00896	1.2
113.02441	14.4
115.00345	1.7
116.10847	0.7
117.01940	1.6
120.05810	1.3
121.02962	1.3
122.03767	0.9
123.04523	100.0
124.04842	3.4
129.01912	1.6
134.74162	0.7
135.04546	1.4
135.11774	2.5
141.01974	0.9
143.08623	1.4
153.05571	66.3
154.05882	2.7
157.01376	1.1
159.08194	1.0
161.09698	7.2
175.02484	2.1
177.01906	5.4
178.02341	1.7
179.10764	10.3
184.07147	0.8
205.07100	1.2
231.05113	1.1
249.06128	10.1
267.07095	3.6
283.58508	0.8
315.11160	1.0
348.46707	0.8
361.29486	1.3
411.16364	1.4
455.15427	1.8
497.17682	0.9
505.33658	0.8
602.25470	0.9
617.21429	1.7
667.39063	12.0
668.39014	1.2
685.40259	6.4
686.40735	1.1
727.14929	1.7
727.41333	6.4
728.41162	1.5
771.27094	78.7
772.27393	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.2
57.03447	0.8
59.01379	13.6
69.03448	1.5
69.24477	8.2
71.01380	16.1
72.99306	4.9
73.02940	3.5
75.00473	1.2
75.00871	14.8
83.01385	1.7
85.02953	11.4
87.00857	5.2
89.02440	3.9
93.03463	1.1
95.01379	3.6
95.05016	0.8
96.96070	0.9
99.00868	13.0
101.02418	4.4
103.00408	1.1
109.02942	1.2
111.00872	1.9
113.02437	10.0
115.00371	2.8
117.01932	1.6
121.02965	1.1
122.03705	2.2
123.04520	100.0
124.04900	3.9
129.01926	0.9
129.56784	0.8
135.04515	3.2
135.11816	2.0
137.02458	1.3
139.04091	0.9
143.03497	0.9
152.04724	0.9
153.05571	60.0
154.05864	3.2
157.01338	2.4
161.09720	4.8
172.25241	0.8
175.02443	1.3
177.01891	2.5
179.03427	2.5
179.10777	7.6
195.06422	1.0
203.03549	0.9
227.07199	1.0
249.06099	6.6
267.07172	2.6
407.11169	1.5
455.15424	3.6
473.16791	1.3
523.31390	1.2
617.20764	3.7
667.39069	5.0
685.40045	1.8
727.41010	6.2
753.26019	1.5
771.27118	84.1
772.27466	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	770.4336
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01166	0.2
61.98828	100.0
79.37475	0.2
85.61538	0.3
97.99849	0.2
98.19865	0.6
104.38477	0.2
114.87891	0.3
196.14601	0.3
211.13272	0.3
229.01088	0.3
313.35889	0.3
506.21268	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.1985
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
58.22419	0.4
63.02392	0.5
64.67518	0.5
65.00326	1.1
69.58491	3.1
71.01392	1.5
72.82710	0.5
74.82752	0.5
76.16136	0.6
83.01415	0.8
94.04073	0.5
107.01398	2.4
109.02985	1.9
115.00390	4.5
116.00746	0.5
121.02982	0.9
123.70136	0.5
133.01440	13.2
133.02969	0.9
134.01797	1.0
135.01880	1.0
135.04546	5.1
136.04878	0.8
138.79585	0.4
147.00874	0.6
149.02487	0.9
149.06033	1.0
151.00381	7.3
155.04979	0.6
159.04553	0.6
163.00368	1.0
165.01906	0.5
175.00388	1.0
175.04033	1.6
178.99860	2.7
179.03488	4.1
180.03822	0.8
187.03961	0.7
199.04041	3.1
201.02008	1.3
215.03456	1.3
226.02705	0.5
227.03534	3.3
228.03906	0.8
243.02988	4.9
245.04765	0.8
255.02966	5.5
256.03287	0.9
271.02487	60.4
272.02817	4.6
273.04092	0.8
282.01508	0.7
295.04550	0.6
299.01971	100.0
300.02655	32.2
300.05502	0.4
301.03525	40.6
302.03860	2.8
313.03448	0.7
343.04535	1.3
359.07703	0.8
462.08112	12.4
463.08713	6.8
470.20270	0.5
539.11896	0.8
608.99976	0.7
609.14618	34.8
610.14948	5.3
771.19922	53.4
772.20245	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	769.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.9
56.13346	0.8
57.03434	1.6
58.00607	1.1
59.01385	27.4
61.69254	0.9
61.98808	1.4
65.99329	0.9
69.03458	1.2
69.59599	2.8
69.60012	2.5
71.01387	16.8
72.23100	1.0
72.99313	1.7
73.02965	4.4
75.00879	0.8
76.22927	0.8
83.01385	2.3
85.02943	7.0
87.00871	3.3
89.02436	5.2
89.68321	0.8
95.01370	1.2
98.20630	1.8
99.00876	2.2
101.02438	8.5
113.02458	3.9
119.03459	1.4
125.02452	2.4
135.34021	0.9
135.53580	0.8
174.76230	0.9
191.51605	0.8
194.73563	0.8
313.23834	2.2
323.25714	1.6
341.26913	6.4
342.27213	1.6
357.26666	0.9
359.27982	12.1
366.75998	1.1
401.29257	1.4
485.31055	2.2
503.32318	6.2
504.32269	1.0
519.31573	1.9
520.31982	3.0
521.33105	16.2
522.33038	1.6
544.12653	1.1
563.33838	3.1
580.91345	1.0
665.37616	7.4
666.38147	2.0
683.38666	7.8
684.38727	2.2
725.39667	100.0
726.39954	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	769.386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.8
57.02305	0.6
57.03429	1.3
57.36507	0.6
59.01376	24.1
64.97507	0.6
69.03448	0.8
69.15913	6.5
71.01019	0.9
71.01383	14.1
72.14317	0.6
72.99286	1.8
73.02946	4.0
83.01380	2.5
85.02952	5.4
87.00873	3.0
89.02436	5.1
95.01393	1.1
96.96061	0.7
97.02920	0.7
97.29753	0.7
99.00813	0.6
101.02437	8.1
113.02444	3.7
119.03490	1.8
125.02441	1.7
161.04544	0.7
313.23846	2.8
341.26971	5.9
342.27115	0.8
357.26624	0.7
359.23489	0.9
359.28027	17.7
360.28253	2.1
469.11331	0.7
503.32281	10.7
504.32928	1.8
521.33282	100.0
522.33588	18.6
522.41150	1.3
545.33331	1.2
563.34326	18.1
564.34698	2.2
665.37720	2.3
666.37457	0.7
683.38330	5.4
684.38666	1.2
725.39587	43.0
726.39832	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	769.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.8
57.03434	1.2
59.01381	13.7
59.70721	0.5
61.98825	1.5
69.03448	0.6
69.16084	4.8
71.01382	9.7
72.99302	0.5
73.02947	3.5
75.00871	1.2
83.01381	1.7
83.13332	0.4
85.02956	3.3
87.00870	1.2
89.02436	3.2
95.01385	0.7
97.02940	0.5
99.00844	0.8
101.02443	6.5
113.02465	3.0
119.03488	0.9
125.02429	1.3
147.25963	0.5
161.04533	0.7
177.02078	0.4
243.33627	0.5
283.15668	0.5
313.23798	2.3
341.27017	4.7
357.26471	0.8
359.28003	15.4
360.28256	1.7
373.29651	0.6
375.27399	3.2
376.27740	2.0
377.27997	1.7
503.32184	10.6
504.32413	2.3
521.33270	100.0
522.33612	14.8
545.33118	0.9
563.34277	6.8
564.34442	0.7
725.39819	0.9
773.81995	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56426	0.7
59.01372	4.3
71.01382	13.9
71.49544	0.9
85.02943	1.5
88.73176	0.7
89.02457	0.8
89.03976	0.9
89.45178	0.7
90.69602	0.8
96.96032	0.9
105.46234	0.9
109.02944	1.3
113.02452	0.9
115.00385	5.9
117.03480	4.9
127.03935	1.1
133.01408	5.3
133.02943	1.5
134.03737	50.8
135.04538	1.7
137.02426	1.2
138.42773	0.8
149.06093	6.3
153.05519	1.6
159.04482	2.4
161.02420	1.0
163.03986	2.0
173.06049	1.5
178.02713	5.6
179.03496	1.6
191.05585	3.3
193.05043	100.0
194.05440	5.2
196.99785	0.8
199.02536	0.9
203.03453	1.5
229.24515	0.9
233.05440	0.8
251.07094	1.3
309.06110	2.4
315.10870	1.3
319.09732	6.5
498.33859	1.1
525.13489	1.1
559.44196	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.9
57.03439	2.0
58.00599	0.9
59.01379	44.8
59.63408	0.7
60.01710	0.8
61.12633	0.9
61.98827	13.5
69.03452	1.3
71.01381	23.9
71.51180	1.0
72.99313	1.6
73.02941	3.8
83.01366	2.0
85.02943	7.1
87.00871	1.8
89.02448	12.2
95.01369	1.8
96.95982	4.3
99.00874	1.1
101.02437	14.8
111.04530	0.9
113.02442	6.7
116.06470	0.7
116.92799	0.9
119.03482	3.5
125.02396	0.8
131.03479	0.9
133.01408	1.0
135.87466	0.8
150.03204	1.1
161.04486	1.7
165.05460	0.9
267.23047	1.1
485.31281	0.9
496.89194	0.8
503.32129	5.2
521.33447	3.7
545.33118	1.9
563.34015	4.1
683.38483	1.5
725.39655	100.0
726.39838	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	767.5828
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63655	1.0
61.98821	4.5
65.79324	1.0
69.38865	1.0
71.01379	1.2
113.64130	1.0
134.28500	0.9
171.10258	7.0
197.09421	1.0
204.26292	1.1
205.99973	1.0
277.21692	9.9
278.21991	1.4
295.22781	48.0
296.23050	3.3
471.34760	100.0
472.35141	15.7
499.49698	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	0.3
70.45154	0.7
70.45528	0.6
71.01380	10.2
72.99305	2.0
85.02946	0.5
85.81688	0.4
89.02443	1.1
96.90103	0.4
107.05051	0.6
109.02934	1.0
115.00369	29.9
116.00729	0.5
129.81041	0.3
130.16489	0.3
133.01424	100.0
134.01788	2.5
134.03722	1.2
135.04514	24.7
136.04863	1.1
149.06073	1.3
152.23759	0.4
153.69754	0.4
161.02443	1.0
161.06131	0.5
177.01923	1.4
177.05595	0.4
179.03490	26.4
180.03845	1.5
189.05595	2.7
199.83844	0.3
207.06593	0.8
221.04459	0.8
231.06557	1.8
275.05688	0.6
280.73975	0.3
295.04626	5.6
296.04932	0.6
473.12943	1.7
599.48004	0.4
612.31934	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4583
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	13.9
59.20525	0.6
61.98820	2.3
70.51178	2.1
71.01376	2.1
85.02921	0.9
89.02434	2.0
101.02428	2.3
113.02483	1.4
161.04532	0.7
183.13895	6.0
193.12337	1.5
211.13383	100.0
212.13722	4.9
225.45810	0.7
235.08232	2.0
253.09264	7.9
277.21707	65.1
278.22076	7.4
411.25650	0.6
447.22415	5.6
448.22382	1.0
572.51514	0.7
722.55188	0.7
767.41394	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28454	0.2
59.01372	1.2
60.99302	14.9
69.47733	1.0
69.48145	0.4
71.01379	0.6
73.02946	0.2
73.39428	0.2
74.10349	0.2
75.00877	0.2
79.39052	0.2
85.02948	0.2
87.00864	0.6
88.00394	1.6
88.98800	100.0
89.02437	4.0
89.99098	0.9
98.19907	0.4
101.02433	0.3
113.02436	0.3
125.02422	0.2
145.01515	0.2
296.20459	0.2
360.39404	0.2
400.02393	0.2
421.83527	0.2
480.11768	0.2
492.27213	0.2
629.11121	0.2
677.49445	1.2
678.50159	0.3
681.37726	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29643	0.8
60.99307	19.0
61.98832	1.2
71.49443	0.8
87.00868	1.3
88.00413	2.7
88.98811	100.0
89.02450	11.3
89.99117	1.2
90.30099	0.8
195.05846	0.7
279.23114	1.1
375.73053	0.9
380.18011	0.8
434.22577	0.7
595.66772	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.371
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	12.4
59.01385	11.0
61.98832	1.8
64.97571	0.5
69.03482	0.7
71.01390	5.0
71.50433	0.5
73.02946	2.1
83.01400	0.5
85.02966	2.6
87.00885	1.0
87.04533	0.6
89.02446	1.2
89.16054	0.5
99.04521	4.5
101.02446	4.6
113.02435	1.3
119.03514	0.6
123.08216	0.8
125.02454	5.8
135.46080	0.5
139.11348	0.8
157.12294	0.6
169.12405	1.0
185.11830	1.2
205.74469	0.5
215.12863	0.7
311.22104	1.0
327.25458	1.9
329.23309	1.7
339.25467	1.7
341.26843	0.8
357.26477	11.9
358.26709	1.5
373.25897	2.0
374.26202	0.8
375.27530	100.0
376.27869	11.4
389.29398	1.1
417.28662	3.8
418.28812	0.8
501.30426	3.3
519.31787	22.7
520.32202	3.7
543.32483	0.6
561.32825	21.8
562.33209	4.0
563.34686	1.1
579.33679	1.0
663.36145	0.9
681.36969	0.9
723.38458	2.8
724.38104	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.7
57.03445	1.8
59.01376	18.7
61.98827	9.4
66.45412	0.6
71.01378	9.5
71.15770	0.5
71.26009	1.1
72.99284	1.1
73.02946	3.2
75.00891	0.8
75.44883	0.6
83.01373	1.6
85.02941	3.9
87.00885	1.1
89.02446	3.6
95.01379	1.3
99.00871	0.8
101.02444	6.7
113.02445	3.7
119.03506	1.7
125.02417	0.7
133.01471	0.6
185.11862	0.9
199.13420	1.2
269.17926	0.6
288.40625	0.6
297.24167	0.8
309.24399	1.1
327.25388	3.3
339.25311	8.2
340.25620	1.4
357.26410	15.1
358.26849	1.4
375.27472	0.9
501.30637	8.2
502.30920	1.1
519.31702	100.0
520.32056	15.4
561.24329	1.1
561.32709	17.5
562.32935	3.0
579.33105	2.0
621.34009	0.8
657.83105	0.6
723.38416	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	766.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
69.92676	1.1
91.14744	0.3
92.36500	0.3
93.62038	0.4
93.92754	0.3
127.09947	0.3
158.34552	0.3
183.14114	0.4
241.14478	0.6
242.14792	0.4
265.39938	0.3
277.21808	1.0
278.22095	0.8
316.14410	0.3
394.43301	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.5235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	50.0
61.98818	11.5
70.34964	9.1
70.35357	8.7
71.01377	45.7
78.65965	4.0
80.96500	5.6
85.02898	3.7
89.02432	54.8
101.02434	21.1
113.02448	18.4
119.03497	30.8
125.95612	3.7
143.03531	5.2
161.04523	5.7
179.05568	18.3
200.82800	3.6
217.81055	4.7
225.22234	15.3
271.22748	12.8
279.93509	4.6
326.27057	47.3
329.79517	4.0
391.94662	4.0
730.54761	100.0
730.67749	6.4
731.54840	30.0
755.64185	4.6
766.51672	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	765.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	1.3
63.96233	1.8
69.03424	0.7
70.16730	2.5
71.01382	9.9
73.02938	2.3
78.98579	8.5
79.95734	14.5
80.96514	89.9
81.03469	1.3
87.00875	3.0
94.98081	17.9
95.53833	0.7
96.96004	1.2
97.02967	2.3
99.00864	0.7
101.02441	3.1
106.98104	4.4
113.02443	0.9
115.34459	0.7
122.97589	4.1
124.88754	0.7
125.02451	3.0
127.03961	1.3
134.97589	6.4
135.96449	0.7
136.99144	2.0
148.99129	7.5
152.98624	7.3
164.98634	14.6
182.20210	0.6
183.13904	4.8
206.99657	3.8
225.00734	26.9
226.01022	1.1
255.23322	1.7
346.54959	0.6
465.24643	0.7
509.17194	2.8
537.27417	1.3
765.40930	100.0
766.41241	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	765.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65516	0.5
59.01370	0.9
63.96233	2.1
67.24473	0.5
67.35609	0.4
69.03452	1.2
70.13896	1.6
71.01380	8.7
72.99311	0.5
73.02932	1.9
78.98582	8.1
79.95730	15.8
80.96513	87.3
81.03457	0.8
87.00880	2.9
93.97310	0.5
94.98080	21.7
94.98687	1.2
96.95988	1.6
97.02943	1.8
99.00871	0.9
101.02436	4.0
106.98085	4.2
122.97575	4.3
125.02430	3.9
127.03972	0.9
134.97565	6.3
136.99136	1.9
148.99126	8.5
152.98618	7.3
161.79347	0.5
163.58621	0.5
164.98619	15.3
167.71785	0.5
183.13847	3.7
206.99611	3.7
225.00728	24.3
226.00990	1.3
226.89230	0.5
255.23262	1.7
259.62210	0.6
283.05054	0.6
309.88275	0.6
373.42554	0.5
476.43777	0.7
509.17014	2.1
537.27228	1.4
765.40936	100.0
766.41290	24.4
766.51831	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.4
60.99305	19.6
61.98819	0.6
63.66486	0.2
69.84580	0.8
71.01376	0.6
78.41661	0.2
87.00897	1.0
87.99909	0.3
88.00399	3.2
88.01216	0.2
88.32249	0.2
88.98803	100.0
89.02438	13.7
89.99154	1.2
101.02414	0.3
108.19696	0.2
125.02455	0.2
205.99704	0.2
277.21747	0.6
278.22119	0.3
397.13400	1.0
415.14728	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.4
60.99303	18.3
61.98826	0.4
71.01384	0.3
79.86819	0.1
87.00869	1.4
88.00398	3.0
88.63206	0.2
88.98802	100.0
89.02436	14.6
89.99132	1.2
101.02443	0.2
137.11806	0.2
271.22153	0.2
277.21707	0.6
278.22177	0.2
397.13388	1.0
398.13794	0.2
415.14780	0.4
595.07507	0.2
703.95972	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43811	0.5
55.01865	1.5
57.03445	7.2
59.01372	5.6
61.98821	0.6
71.01377	6.0
72.99310	1.6
73.02942	1.2
74.02473	2.6
75.00859	2.4
79.05601	0.5
79.64320	0.6
83.01380	5.5
84.02151	1.2
85.02946	37.8
87.00865	1.8
98.02467	0.7
98.19916	2.5
101.02445	5.0
103.04008	0.8
111.00881	20.7
119.98081	0.6
129.01930	10.2
133.01419	0.7
143.03465	0.7
147.02968	2.6
149.02406	1.9
150.03186	4.0
159.04456	1.4
161.04530	1.3
165.01852	1.1
165.05554	3.7
166.06374	2.6
177.01906	0.6
180.04256	0.7
181.08601	0.7
187.02470	1.3
190.49719	0.5
193.05090	0.8
195.06577	5.1
203.08241	1.9
204.08479	1.1
205.03514	24.4
206.03824	1.1
223.04570	100.0
224.04898	3.9
225.07663	1.0
245.09268	4.1
246.09610	2.0
247.09801	1.0
248.28334	0.6
359.15021	1.7
373.12839	1.5
407.16995	1.0
421.14996	2.3
431.37793	0.6
433.10242	0.6
438.08038	0.5
447.56894	0.6
552.76361	0.6
603.24451	1.3
663.95398	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53249	0.3
58.02971	5.7
59.01378	9.1
59.98239	0.4
69.23435	1.3
69.23867	1.9
70.02972	5.2
71.01373	1.1
72.00907	1.8
72.04533	1.4
74.02467	36.1
79.25581	0.4
85.02903	0.6
98.02474	7.4
101.02420	0.4
113.02437	0.6
116.03544	8.0
116.05051	13.0
117.05388	0.7
130.06590	1.5
142.06616	3.1
146.03745	1.0
150.03191	1.3
159.09250	2.7
164.04837	0.7
165.01793	0.5
165.05553	1.3
179.07108	1.3
180.04202	0.5
183.09293	0.9
186.05672	1.0
195.06581	1.4
201.10345	3.7
203.08244	37.8
204.08578	2.2
245.09282	100.0
246.09610	6.6
289.08185	0.7
296.46719	0.4
369.19238	0.9
429.21310	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	763.4112
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50761	2.1
59.01378	36.5
61.98830	5.3
69.03431	2.2
70.17188	8.5
71.01379	27.5
72.99294	4.2
73.02945	4.3
81.03478	2.8
82.43453	1.9
83.01388	4.9
84.78997	2.0
85.02965	4.8
86.12190	1.7
86.62273	1.9
87.00864	6.3
89.02441	29.3
97.02991	4.8
101.02415	22.1
101.02928	2.2
105.43565	2.3
113.02441	11.7
119.03477	7.8
125.02435	8.3
143.03487	4.7
161.04521	5.3
179.05643	3.7
223.13385	4.5
235.08205	9.9
241.82533	2.1
245.06734	2.6
253.09393	2.7
261.82297	2.0
277.21686	8.7
287.07874	3.1
291.26309	2.2
305.08820	2.3
305.24838	77.3
305.98602	2.2
306.25229	10.8
341.87460	2.1
397.13470	100.0
398.13895	7.3
415.14499	39.1
416.14951	3.0
673.21252	2.6
740.63568	2.2
763.43329	5.8
764.43848	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	764.4444
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47636	1.0
61.98834	100.0
70.15862	4.5
71.01368	3.0
71.66560	1.1
77.66599	1.1
78.98609	2.8
79.95734	5.4
80.96521	33.5
81.20709	1.2
87.00874	1.6
90.59362	1.2
94.98096	7.5
96.96040	1.4
98.58262	1.1
101.02462	1.8
106.98131	1.4
107.75451	1.1
134.97508	1.9
148.99110	2.7
152.98590	2.6
164.98639	6.3
165.12833	3.3
183.13904	16.4
206.99663	1.5
225.00743	10.3
255.23297	25.8
256.23611	1.7
350.13367	1.2
497.98468	1.2
509.17053	1.5
536.58978	1.3
546.78729	1.2
701.44794	30.7
702.44861	6.8
764.39496	2.2
765.40955	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	763.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42467	1.3
60.37077	1.6
60.99311	19.1
61.89570	1.2
61.98819	5.1
62.02608	1.2
67.29080	1.4
88.98804	100.0
89.02450	2.6
89.99153	1.4
108.90173	2.4
128.16110	1.5
153.24416	1.4
223.13251	1.7
277.21594	4.4
455.17154	2.5
457.18655	10.3
458.19177	1.9
459.16748	2.0
473.18243	2.6
474.15262	4.2
485.18347	3.2
496.13501	2.5
511.16113	5.8
511.67676	1.4
512.13306	8.2
526.15039	5.2
527.15417	6.1
528.16418	9.4
529.16925	3.4
530.17487	2.0
560.15442	4.6
561.15533	2.1
583.18414	7.7
584.18823	1.9
597.20172	1.9
599.20636	2.6
614.20117	33.8
615.20605	16.2
616.20972	3.0
646.19049	5.7
647.19482	2.4
691.22412	3.4
763.42480	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	763.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42467	1.3
60.37077	1.6
60.99311	19.1
61.89570	1.2
61.98819	5.1
62.02608	1.2
67.29080	1.4
88.98804	100.0
89.02450	2.6
89.99153	1.4
108.90173	2.4
128.16110	1.5
153.24416	1.4
223.13251	1.7
277.21594	4.4
455.17154	2.5
457.18655	10.3
458.19177	1.9
459.16748	2.0
473.18243	2.6
474.15262	4.2
485.18347	3.2
496.13501	2.5
511.16113	5.8
511.67676	1.4
512.13306	8.2
526.15039	5.2
527.15417	6.1
528.16418	9.4
529.16925	3.4
530.17487	2.0
560.15442	4.6
561.15533	2.1
583.18414	7.7
584.18823	1.9
597.20172	1.9
599.20636	2.6
614.20117	33.8
615.20605	16.2
616.20972	3.0
646.19049	5.7
647.19482	2.4
691.22412	3.4
763.42480	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	761.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	15.8
62.40353	1.6
71.01381	5.2
71.49754	1.7
73.02942	2.2
79.83712	1.7
86.08161	1.5
89.02436	3.1
101.02448	3.9
109.02958	4.6
112.18303	1.7
117.06977	1.7
119.03521	1.8
119.05025	2.2
130.04207	5.6
133.01392	3.4
134.03741	2.3
135.04530	4.0
147.04526	31.9
148.01640	5.4
148.05305	10.6
149.02438	3.6
154.73859	1.8
155.75291	1.8
159.04546	10.0
161.02426	27.4
161.06053	2.4
162.03111	4.6
163.03937	2.7
171.04529	4.0
172.05278	7.4
173.02309	2.8
173.06049	14.3
174.03214	37.0
175.03896	4.8
185.06036	2.8
186.03233	21.4
187.03937	4.2
189.05508	1.9
191.05574	2.1
199.03981	6.4
203.03520	2.6
206.02193	21.1
212.04848	2.6
227.07111	2.1
233.04561	2.1
266.05701	2.9
281.08231	5.2
301.05215	2.3
317.08157	5.2
333.07471	3.4
334.08466	14.8
349.10791	100.0
350.11276	8.3
360.06448	9.3
361.07022	5.1
375.03912	3.6
375.08707	60.3
376.08951	4.5
387.05148	4.6
393.09650	11.5
394.10336	2.7
401.06766	8.3
417.09805	5.0
419.07498	11.8
437.08771	2.0
511.15973	14.3
537.14185	18.2
538.14166	4.0
555.15106	14.8
556.15594	3.6
579.15320	3.7
581.13074	19.6
599.14044	26.2
600.14374	4.7
717.20020	3.8
761.18951	15.7
762.19073	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	761.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04667	1.4
59.01382	14.5
65.03976	1.6
69.29618	10.9
71.01390	8.4
85.02945	2.5
85.46259	1.4
89.02439	3.9
90.83189	1.3
93.03465	2.9
101.02448	3.2
109.02946	8.4
113.02442	2.7
115.00385	1.8
118.03528	1.3
119.03548	1.9
119.05016	2.3
121.02926	2.7
133.01416	4.0
133.02966	3.3
134.03740	5.0
135.04510	5.1
143.04988	1.9
146.03693	2.3
147.04512	12.4
148.05235	3.1
149.02486	2.5
150.03192	1.5
159.04518	8.1
160.05186	2.6
161.02443	12.3
162.03180	6.7
163.04013	46.6
165.05507	3.7
167.50128	1.3
171.04492	9.6
172.05258	3.1
173.02405	1.8
173.06047	5.3
174.03197	14.0
175.03925	2.7
176.01184	2.2
177.01981	3.1
177.05511	4.8
178.02614	2.6
186.03226	8.1
187.04001	14.5
188.04756	10.9
189.01933	89.3
189.05513	2.9
190.02493	7.7
191.05583	3.6
193.04982	2.5
197.06085	2.2
201.01917	10.3
202.02541	1.9
202.06470	2.4
203.03500	2.5
206.02217	4.9
214.02711	27.1
215.03348	2.4
222.01671	3.3
223.03958	2.3
229.66351	1.4
247.07817	2.1
289.08731	2.9
299.07034	4.1
303.74786	1.3
315.06592	2.3
316.07230	1.5
317.08206	16.3
318.08514	2.1
319.06091	9.1
331.09766	1.8
332.07162	1.8
333.07599	2.1
334.08353	9.6
343.05930	2.2
349.10791	100.0
350.11108	12.2
359.05450	7.9
360.06253	4.2
361.07092	33.7
362.07529	3.7
371.09564	1.6
375.08716	72.4
376.09161	8.4
387.05273	1.7
393.09875	11.5
394.10153	2.0
401.06567	4.4
417.09500	2.5
419.07620	11.2
511.16095	25.3
512.16315	3.4
523.12402	42.0
523.20319	2.2
524.12891	4.7
537.13965	30.9
538.14294	2.9
555.15216	18.8
556.15326	2.6
565.13666	1.6
567.11566	11.7
579.14954	1.6
581.12860	12.9
582.13074	1.7
599.14075	20.1
600.14496	3.9
673.21381	1.7
685.17560	11.6
686.17816	3.9
717.20447	5.0
729.16907	3.8
761.19312	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	761.193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	15.0
66.20470	1.1
67.01872	1.6
67.69119	1.2
71.01373	8.0
71.49656	1.6
85.02933	2.1
85.43789	1.1
89.02444	4.6
92.76877	1.0
93.03471	1.5
96.96001	3.3
97.71944	1.1
98.95596	1.1
101.02442	4.0
101.92510	1.0
109.02922	6.9
113.02444	2.1
113.96950	1.1
115.00385	1.7
119.05037	1.8
125.02438	1.1
133.01404	1.7
133.02945	3.9
134.03725	5.3
135.04543	6.1
137.02437	3.2
143.05006	1.2
145.02939	1.6
146.03712	2.9
147.04504	6.5
148.05246	1.2
149.02492	2.1
149.82500	1.2
150.03203	2.1
159.04497	10.2
160.05273	2.7
161.02454	9.6
162.03206	5.7
163.03999	48.5
164.04431	1.9
165.05539	2.9
171.04538	9.0
172.05231	1.7
173.02357	2.0
173.06050	3.5
174.03197	8.1
175.03926	1.9
176.01146	1.7
176.04889	1.1
177.01932	3.6
177.05573	5.4
178.02635	1.4
182.51189	1.0
183.04471	2.5
185.02452	1.2
186.03198	4.2
187.04008	16.0
188.04764	10.3
189.01921	100.0
189.05487	3.8
190.02455	7.5
191.03401	1.5
191.05591	2.2
193.05034	5.0
194.31184	1.1
196.05188	1.5
197.06073	2.7
199.03897	1.7
201.01933	11.1
202.02602	2.9
202.06392	2.4
203.03453	3.6
206.02194	3.3
214.02682	29.7
215.03181	3.7
221.99503	1.1
222.01640	2.8
223.04065	3.9
223.06145	1.4
233.04524	2.1
236.03372	1.0
249.09160	1.7
299.07129	2.8
315.06561	3.3
316.07364	1.0
317.08157	17.7
318.08652	1.9
319.06122	9.3
331.09619	1.9
333.07611	2.4
334.08429	9.4
343.06097	2.4
349.10782	82.9
350.11066	6.8
359.05804	6.0
360.06351	6.1
361.07166	27.6
362.07559	3.6
375.08722	67.6
376.09006	7.1
383.09833	1.3
393.09790	6.9
401.06430	2.9
417.09680	1.5
419.07639	6.1
511.16058	19.8
512.16577	2.5
523.06458	0.7
523.12378	34.7
524.12634	4.1
537.13947	39.8
538.14703	5.4
555.15198	13.3
567.11285	9.5
581.12799	12.6
582.13440	2.0
597.15918	1.5
599.14063	15.9
600.13947	2.3
685.17517	12.9
717.20288	4.8
718.20770	1.6
729.16321	1.9
761.19098	19.4
762.19525	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	2.3
59.01384	5.5
61.98832	4.5
67.01908	0.6
71.01392	4.1
73.02953	1.6
83.01381	1.2
85.02937	1.0
89.02440	1.4
96.96008	2.1
99.00854	1.1
99.04491	1.1
101.02467	2.1
101.15366	0.6
102.04786	0.7
103.05547	2.6
113.02522	1.1
113.99598	2.4
115.00375	1.0
117.55523	0.6
125.02477	0.8
130.04242	14.4
131.05037	1.5
139.04163	0.8
145.03012	0.7
146.03711	1.9
148.01665	2.2
149.02396	1.2
149.06096	6.6
150.03264	1.0
156.00670	5.0
157.01019	1.2
157.02954	1.1
159.04515	100.0
160.04887	4.3
161.02446	6.7
163.04031	1.1
171.04427	0.9
173.02426	14.8
173.06042	1.3
174.01700	6.2
174.03194	54.2
175.02109	1.6
175.03648	2.9
175.40929	0.7
176.02315	0.9
185.02487	0.9
187.03999	3.4
188.04688	1.0
189.01886	1.6
189.05565	36.7
190.05927	1.8
195.06670	0.8
199.04015	1.6
201.01886	2.6
201.05835	0.8
203.03494	44.6
204.03844	2.7
214.02686	5.0
218.02264	1.9
229.08940	0.7
233.04536	32.0
234.04845	2.1
306.05399	2.2
315.06555	2.3
321.07675	25.0
322.08026	2.2
343.06152	2.8
349.10788	4.0
360.06192	1.6
365.08719	2.0
375.08731	5.3
384.04953	0.7
393.09897	1.9
419.07684	16.9
420.07846	1.9
483.12631	2.2
510.33865	0.8
513.27264	1.3
555.14648	0.9
581.12952	25.7
582.13647	3.8
599.13977	16.6
600.14337	2.4
761.19165	52.7
762.19647	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	761.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	6.0
59.38040	0.7
61.17805	0.8
61.38332	0.8
61.98823	1.4
69.28629	4.2
69.29057	2.0
71.01379	5.2
73.02943	1.6
85.02984	1.3
89.02470	1.3
94.84309	0.8
96.96033	1.5
101.02451	2.1
102.04729	1.1
103.05544	2.8
108.02200	1.0
110.47690	0.7
113.02444	2.0
115.00384	1.1
117.03430	1.0
123.04568	1.0
125.02402	0.9
130.04247	14.5
131.05057	1.4
133.02963	1.6
140.76761	0.7
145.02962	0.9
146.03757	2.3
148.01692	2.0
149.02437	1.7
149.06053	7.1
150.03230	1.5
150.06410	1.1
152.01169	1.7
157.02925	2.5
159.04518	100.0
160.04852	4.5
161.02461	8.5
161.04543	1.2
162.03255	1.0
163.04012	1.9
165.05551	2.4
167.03516	2.3
170.03812	1.4
171.04558	1.6
172.05165	0.9
173.02440	15.4
173.06038	0.8
174.03221	51.1
175.03668	2.4
185.02396	1.0
186.03294	1.0
187.04021	3.0
189.01953	1.5
189.05582	37.4
190.05960	1.6
191.05551	1.0
195.06648	0.8
199.04002	1.7
201.01898	2.6
203.03505	40.3
204.03810	3.5
214.02686	4.9
215.03438	1.1
218.02228	2.5
219.25423	0.8
233.04547	32.1
234.04929	2.5
289.05066	1.8
306.05261	3.4
315.06622	3.8
321.07663	34.0
322.08020	2.8
340.00119	0.8
342.05478	1.0
343.05988	2.7
349.10870	5.2
350.11261	0.8
375.08740	6.7
393.09650	3.5
395.10175	1.0
403.13959	1.3
419.07693	19.3
420.08231	2.2
433.30652	0.8
483.12964	2.1
555.15131	1.3
581.12927	23.9
582.13141	4.5
599.14185	10.9
599.22681	1.3
600.14258	1.4
689.40588	0.9
761.19360	71.1
762.19507	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	759.4086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49969	7.5
61.98829	100.0
68.47252	7.4
71.49735	10.1
91.34190	7.5
103.31545	7.7
104.07626	7.2
112.05471	6.5
166.48584	6.6
179.92720	8.0
209.11795	38.2
227.12926	15.3
253.09163	11.1
260.13766	8.6
277.21735	85.6
278.21973	9.4
387.51056	7.9
441.32355	8.0
559.78320	9.0
759.40948	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	760.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52005	5.0
59.01378	27.2
59.90261	7.1
61.98831	94.2
71.01366	25.0
73.02944	7.1
82.95415	100.0
84.00900	82.8
84.95111	41.8
89.02419	20.5
98.20743	12.3
99.00811	6.4
101.02424	18.2
113.02424	8.4
117.19455	6.2
119.03480	7.7
125.02458	10.5
153.37903	5.5
235.08188	9.5
277.21677	57.7
335.27200	6.2
342.18756	6.3
362.19388	23.1
397.13480	72.6
415.14505	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45113	1.2
59.01107	1.7
59.01377	16.0
64.49421	1.1
69.47606	2.5
69.48006	7.0
71.01380	5.4
73.02969	2.0
74.02467	1.5
85.02936	1.9
89.02428	3.4
101.02447	3.3
109.02947	4.5
112.75082	1.2
113.02511	1.4
113.41271	1.4
115.00360	2.1
117.03483	1.2
119.05025	1.5
121.02950	2.0
130.04231	5.8
133.01425	3.8
134.03732	1.5
135.04494	3.9
147.04524	32.0
147.19772	1.3
148.01654	4.7
148.05302	7.9
149.02455	3.1
151.04042	2.1
159.04520	10.4
161.02426	34.5
161.04546	2.0
161.05974	2.8
162.03107	4.1
163.03996	3.9
171.04572	2.4
172.05286	6.7
173.02463	6.1
173.06076	7.8
174.03209	34.4
175.03944	2.8
185.06050	3.2
186.03233	24.9
187.03792	4.0
189.01921	2.1
189.05510	1.5
191.05679	1.5
193.05003	1.6
199.03983	7.7
203.03514	1.7
206.02199	21.4
212.04805	2.7
227.07190	1.4
256.09167	1.4
266.05716	1.7
281.08176	3.8
301.05051	1.8
317.08133	4.4
333.07541	1.7
334.08423	13.2
349.10770	100.0
350.11136	10.4
359.05771	2.3
360.06409	6.2
361.07111	4.9
375.08731	55.4
376.09088	6.8
386.04279	2.0
387.05231	4.2
393.09610	8.7
394.09647	1.2
401.06711	6.3
417.09766	3.0
419.07819	12.7
511.16086	15.8
512.16174	2.8
537.13989	21.0
538.13818	2.8
555.15094	17.6
556.15216	3.5
563.11554	2.1
579.14801	3.0
581.12909	16.4
582.13464	4.3
599.14001	26.1
600.14246	6.0
717.20856	2.6
761.18884	12.2
762.19794	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	759.4091
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33257	6.8
60.23778	6.1
61.98827	100.0
70.68323	16.1
79.95741	6.7
117.18253	7.0
193.58597	6.6
209.11801	85.2
210.12047	7.4
219.10339	8.9
227.12914	20.4
237.11194	8.6
253.09392	8.4
263.09210	10.6
277.21677	76.4
277.99548	6.4
429.75620	7.0
628.73389	7.6
631.65143	8.0
759.40338	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	759.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59433	1.2
57.03444	19.9
59.01376	15.2
61.98818	1.8
66.87168	1.1
70.51379	2.0
70.51771	2.2
71.01384	7.9
72.99298	1.3
73.02941	7.7
75.00847	2.0
83.01376	4.4
85.02943	2.8
87.00862	2.7
87.41670	1.1
89.02414	1.9
93.03436	2.8
96.95986	0.9
99.00851	7.4
99.04504	17.3
100.01660	2.7
101.02444	9.9
109.02890	1.1
111.00881	8.7
113.02426	3.7
113.99579	32.4
115.00384	8.1
118.96282	1.1
121.02934	2.4
125.02454	10.2
128.01128	3.9
135.04494	2.0
139.00391	1.9
139.03993	13.5
148.63467	1.2
156.00633	88.9
157.00970	5.3
161.04535	2.0
174.01671	100.0
175.02319	5.2
181.12309	2.2
188.07275	1.0
211.13402	1.3
227.22740	1.1
287.16367	3.7
457.16568	1.7
471.22498	1.4
509.23813	4.4
511.21695	7.5
551.24872	2.4
553.22821	4.5
653.27765	1.1
679.25208	1.2
741.26660	1.3
759.26886	14.9
760.27625	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	759.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21786	1.3
57.03448	2.0
57.38815	1.4
59.01371	15.2
69.03461	1.7
69.54148	3.0
69.54551	8.0
71.01382	14.6
72.99291	3.4
73.02952	3.4
75.00871	11.5
85.02939	11.8
87.00879	3.4
89.02437	2.8
95.01385	3.2
96.95984	1.5
98.20605	2.7
99.00878	6.1
101.02428	2.3
103.00357	2.2
113.02437	14.5
114.07941	1.3
115.00375	3.3
119.64195	1.4
121.02950	48.6
122.03281	3.0
127.95179	1.5
133.01402	7.0
134.03723	1.5
138.01988	2.0
138.05605	6.3
143.04634	1.6
163.03947	4.4
166.00240	1.3
175.02519	1.8
191.05635	2.8
193.05043	2.2
216.17490	1.3
231.05043	2.9
249.06126	31.9
250.06458	3.6
280.37100	1.4
371.09781	100.0
372.10138	14.1
536.83209	1.8
601.80847	1.6
643.13013	2.4
715.67664	1.8
757.38965	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	759.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.1
59.52641	0.6
61.98819	1.3
67.01887	0.8
69.17618	2.1
69.18025	3.4
71.01373	1.1
78.10488	0.6
87.54210	0.5
96.73339	0.6
96.95995	0.9
98.19931	1.1
101.29389	0.6
113.24886	0.6
131.05028	2.5
133.02966	7.3
147.04509	3.6
159.04623	0.8
165.12790	4.5
173.02501	1.0
175.03992	100.0
176.04338	5.7
183.13884	20.5
184.14240	1.3
188.01202	0.7
199.03993	2.6
201.01913	1.6
219.02980	2.5
227.12868	19.4
228.13251	1.6
243.02974	0.9
250.90355	0.5
337.09271	19.3
338.09732	2.0
381.08234	20.6
382.08624	2.0
715.41919	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.5
59.01376	25.0
59.87770	1.3
61.98824	8.7
69.17745	14.0
71.01393	9.7
72.99316	1.6
73.02942	6.0
85.02949	5.6
88.98804	3.0
89.02455	4.1
96.96009	4.5
99.04528	2.2
101.02446	5.1
113.02435	4.2
115.00378	1.4
127.19163	1.3
133.01353	1.4
135.04556	1.5
149.06041	5.6
150.06854	40.8
151.07332	2.3
159.04459	2.7
161.18806	1.6
163.07623	11.4
164.08374	6.1
166.19800	1.4
175.02600	1.8
178.09993	3.1
179.10745	12.7
209.29407	1.3
312.58713	1.3
327.21832	1.7
327.25409	2.0
329.23230	5.5
359.33008	1.4
377.62598	1.4
441.79657	1.5
447.35065	2.0
448.31677	7.7
449.31815	1.9
463.34341	10.1
464.34564	1.8
490.32648	1.8
491.33780	3.8
508.34259	4.2
509.34879	20.2
510.35205	3.3
614.32867	1.8
653.40784	2.6
671.40039	2.9
713.41180	100.0
714.41412	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	759.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89595	0.3
59.01357	0.4
60.16235	0.4
64.20247	0.4
64.49965	0.3
66.83495	0.3
71.01009	0.7
71.01381	10.2
71.48729	0.5
72.99313	2.2
75.00849	1.1
83.01384	0.5
89.02448	1.7
89.03980	0.5
107.04985	0.5
109.02924	0.9
115.00371	30.2
116.00716	0.8
117.03421	0.5
118.34831	0.4
120.34977	0.4
121.02913	1.0
123.04449	0.6
133.01424	100.0
133.03030	2.6
134.01776	2.1
134.03705	1.3
135.03021	3.1
135.04517	23.8
136.04813	0.9
137.02438	1.7
149.02419	3.6
151.03961	1.2
161.02429	5.2
163.00398	2.9
164.00987	0.5
165.01912	7.6
166.02350	0.6
176.01144	1.5
177.01938	9.9
178.02216	0.7
179.03490	25.2
180.03845	1.3
190.02721	0.9
202.99870	0.7
205.01477	1.9
218.02126	0.7
283.06174	0.5
289.07275	0.9
295.04553	5.4
296.04944	0.8
299.05341	0.5
309.04010	1.1
327.05042	20.4
328.05457	1.4
345.06076	0.6
373.05511	0.7
394.16940	0.5
445.07834	0.9
446.08154	0.4
473.69302	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3933
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
65.71290	25.6
66.97296	25.6
68.82444	27.5
71.04981	50.7
75.00881	93.5
102.73765	26.4
143.96844	29.5
233.04543	55.0
240.49826	27.9
248.99319	27.1
277.21646	65.3
335.33481	29.2
617.43896	28.6
635.85229	28.8
757.39709	34.0
764.64185	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	757.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24249	35.4
55.58396	31.9
56.42822	30.8
57.78379	33.7
59.67638	34.2
61.98824	100.0
70.68639	88.9
70.68982	48.4
84.41518	34.2
144.75148	41.3
185.32431	33.1
214.42276	34.2
225.11275	86.5
225.14552	40.7
277.21713	59.5
278.22186	46.8
449.89404	38.5
579.47583	40.6
721.41119	46.3
758.39795	54.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.256
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12625	2.6
57.03444	5.6
59.01379	29.8
61.98849	6.3
67.01888	3.1
68.99837	2.8
69.33720	21.5
71.01381	39.5
72.99305	8.0
73.02942	6.6
75.00873	39.3
85.02950	32.1
87.00883	7.9
89.02448	5.5
89.35035	2.9
90.74688	2.1
93.03461	26.6
95.01392	8.0
96.95967	2.8
99.00880	25.2
101.02450	5.7
103.00311	3.1
109.02937	5.7
111.00854	3.0
113.02457	28.6
115.00372	14.6
121.02962	59.7
122.03767	2.8
123.04530	11.0
132.70746	3.4
133.01474	16.8
135.04521	6.7
135.11804	10.0
139.04013	100.0
140.04277	3.3
150.03217	7.4
159.04553	4.1
161.09689	15.3
165.05553	8.4
175.02461	4.0
179.10753	22.1
181.85744	3.1
191.05627	6.5
195.06592	4.9
231.05133	4.0
249.06171	24.0
267.07266	7.4
283.13327	3.6
293.08224	5.2
294.08908	4.3
391.15311	4.2
430.81519	2.7
433.54175	3.3
445.77960	2.8
455.15408	9.2
491.18729	3.0
517.18524	3.9
553.20648	3.3
617.20789	11.0
662.25488	2.9
662.46521	3.1
713.40228	11.0
739.24652	89.2
740.24854	16.8
757.25592	78.7
758.26117	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.4
55.83346	1.2
55.84385	1.1
57.03443	2.3
59.01372	19.6
61.98817	7.4
67.01852	1.4
68.99809	3.6
69.03457	2.5
69.38963	9.1
71.01374	28.2
72.99311	8.4
73.02930	5.5
75.00867	23.2
76.23125	1.2
81.03458	1.4
83.01357	2.2
83.05013	1.2
85.02941	22.6
85.44975	1.3
86.13940	1.1
87.00875	10.5
87.04504	1.3
89.02417	4.8
93.03450	23.4
95.01396	6.8
96.95988	4.0
99.00868	23.3
101.02407	4.7
103.88922	1.3
109.01037	1.2
109.02964	6.9
111.00850	3.6
113.02441	22.6
115.00368	8.9
116.92837	1.9
117.01893	2.2
121.02944	49.2
122.03273	1.4
123.04522	7.5
124.01624	1.8
125.02393	1.4
128.49440	1.3
129.01915	3.0
133.01416	11.0
134.03719	1.5
135.04491	4.6
135.11758	3.3
137.02393	2.2
139.04005	100.0
140.04370	4.1
157.01344	3.5
159.04471	2.8
159.08145	9.6
161.04576	1.3
161.09682	14.8
165.01883	1.9
174.01678	1.3
175.02480	2.7
179.10770	32.9
187.04147	1.4
191.05548	5.6
203.10686	1.5
205.06979	2.6
229.08716	1.5
230.50735	1.3
231.04909	2.1
247.09583	1.3
249.06099	14.0
250.06366	2.2
267.07074	4.6
283.13266	2.0
326.77710	1.3
337.04617	1.2
395.70490	1.3
411.16461	2.6
424.56451	1.4
440.79636	1.3
455.15475	13.8
456.15585	1.9
473.16501	5.7
577.19238	1.8
617.20850	9.4
641.19055	2.8
713.40045	6.2
721.23724	1.5
739.24445	47.9
740.24664	10.4
753.00763	1.2
757.25439	72.7
758.25665	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	757.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.5
57.03437	2.0
59.01372	27.7
61.66182	1.3
61.98820	2.8
64.67506	1.6
67.01875	1.3
68.99800	1.7
69.03463	1.5
70.25716	2.9
70.26089	2.9
71.01011	2.5
71.01377	30.3
72.99304	7.9
73.02948	9.1
75.00866	28.1
78.91878	5.6
81.03459	1.9
83.01389	4.5
85.02943	22.4
85.78494	1.2
87.00839	6.5
87.45832	1.3
89.02433	5.5
93.03463	22.4
95.01376	5.1
96.95984	1.2
98.20053	1.5
99.00868	25.0
101.02430	7.2
105.03411	1.3
106.54336	1.3
107.46182	1.2
109.02937	5.4
111.00877	2.3
113.02435	23.2
115.00354	5.6
117.01942	1.4
121.02950	46.5
122.03786	3.1
123.04500	3.9
125.02500	1.5
129.01933	2.6
131.03502	1.7
133.01399	8.6
134.03658	1.7
135.04494	3.6
135.11781	5.3
137.02487	2.4
139.04007	100.0
140.04277	4.5
141.05751	1.1
143.03499	1.3
149.02426	4.5
149.04568	2.5
150.03203	21.7
153.01891	1.6
157.01395	2.7
159.04562	2.5
159.08115	1.5
161.04556	2.0
161.09715	8.9
165.01944	1.3
165.05544	20.2
171.94376	1.2
175.02452	1.4
177.05566	1.7
178.02701	3.7
179.10765	13.9
181.92438	1.1
191.05653	2.7
195.06595	12.7
203.10835	2.3
205.06943	1.3
249.06110	12.3
267.07257	3.6
293.08200	4.9
297.13138	1.5
309.07556	1.7
309.11273	3.3
339.12222	2.0
357.13223	1.7
379.09909	1.4
455.15512	11.0
456.14554	2.2
473.16501	4.6
499.12424	3.7
500.13269	2.8
505.18573	3.7
617.20557	10.7
618.21124	2.0
641.18530	5.5
642.19470	1.5
649.23639	2.1
709.25555	1.5
713.40485	7.3
739.24506	39.1
740.25415	7.9
757.25531	94.8
758.25879	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	757.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.9
59.01121	1.5
59.01381	23.3
61.98825	3.0
67.01896	1.6
68.99802	2.9
69.31786	8.8
69.32188	2.7
71.01386	24.5
72.99316	6.8
73.02959	11.3
75.00867	22.9
77.50593	1.2
78.91868	3.6
83.01366	3.2
85.02953	19.2
87.00864	6.0
89.02422	5.2
93.02945	2.0
93.03464	24.3
93.12157	1.3
95.01422	6.8
96.95998	1.5
99.00884	20.8
101.02428	8.7
103.52923	1.3
109.02938	5.8
111.00875	2.4
113.02444	18.1
115.00346	6.0
117.01927	2.9
121.02965	45.7
122.03782	3.4
123.00803	1.6
123.04545	2.8
125.02440	2.1
129.01945	2.4
130.85512	1.3
133.01410	5.7
135.04474	3.2
135.11803	4.5
137.02388	2.9
139.04016	100.0
140.04323	3.8
149.02422	5.4
149.04520	1.5
150.03221	19.5
157.01360	2.5
159.04474	2.3
161.04524	3.0
161.05971	1.3
161.09731	6.7
165.05573	18.1
178.02628	2.5
179.10741	15.9
195.06586	12.7
217.28537	1.3
231.05000	1.5
249.06161	14.7
257.15073	1.4
267.07101	2.2
293.08127	3.9
294.09021	3.2
294.25150	1.5
309.11258	2.2
339.12140	1.5
345.93939	1.3
410.27176	1.5
455.15692	11.4
456.14798	1.7
473.16553	3.7
499.12491	1.6
500.13156	2.0
505.18616	1.9
553.19745	1.7
617.20868	10.8
618.20398	2.1
641.18555	3.7
713.39667	6.6
739.24622	32.4
740.25439	6.2
757.25574	90.0
758.25751	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	757.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.5
65.00324	0.7
69.35093	3.1
71.01379	10.5
73.03207	0.4
77.03910	0.4
79.01906	0.6
83.01345	0.6
89.03954	0.7
91.67856	0.4
97.02913	0.4
105.03485	0.5
107.01373	0.5
109.02967	2.6
109.08634	0.4
114.11176	0.4
115.00358	6.8
117.03471	3.5
119.05014	0.8
121.02938	1.9
125.02443	1.0
132.02194	0.4
133.01410	8.7
133.02950	11.5
133.03909	0.9
134.03734	46.2
135.04201	1.5
136.01640	0.4
137.02431	1.7
147.04517	1.0
147.91164	0.4
149.02434	1.7
149.06084	4.9
161.02448	1.2
163.00371	1.1
163.03969	3.3
165.01889	2.1
173.02396	0.4
175.03951	3.4
177.01917	1.0
178.02679	4.5
191.03467	2.2
193.01488	2.1
193.05038	76.5
194.05383	3.5
199.03954	1.8
201.01868	1.3
212.04811	0.6
213.05536	0.5
215.03458	0.7
217.05042	0.7
225.05472	1.1
227.03555	0.6
227.07101	0.5
231.06519	0.5
237.05363	0.5
240.04298	1.1
241.05058	0.9
243.06618	0.5
246.13412	0.4
253.05106	1.3
255.02974	1.1
255.06581	0.8
256.03683	0.7
257.04483	0.8
269.04465	1.0
281.04517	0.7
284.03256	8.2
285.04028	7.7
286.04306	0.7
297.04016	17.6
298.04770	9.4
299.05554	16.7
300.05875	1.9
309.06381	4.5
311.05600	2.4
324.02594	0.7
325.03558	0.9
327.05057	100.0
328.05399	9.2
337.03223	0.5
339.04950	3.4
341.06543	0.8
351.05289	0.4
357.06128	26.4
358.06290	2.1
369.06018	3.2
393.06030	1.2
447.09271	99.2
448.09579	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4219
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54848	0.8
59.01106	1.1
59.01373	8.6
61.98831	6.9
71.01382	6.0
71.07526	1.8
73.02940	1.8
73.78522	0.7
77.04214	0.8
78.91905	0.8
78.95889	1.1
83.01379	1.0
85.02937	1.9
87.00888	1.4
89.02442	3.6
97.02937	1.1
97.06567	1.1
101.02443	6.0
111.08161	8.9
113.02430	3.1
119.03490	1.4
140.28854	0.7
145.05011	0.9
161.04530	2.4
165.12817	10.6
165.14156	1.4
169.12331	4.7
179.10750	1.1
181.12360	1.3
183.13889	100.0
184.14217	4.5
197.11824	32.0
198.12122	1.5
199.13321	1.7
209.11780	2.7
211.13361	5.0
227.12834	7.3
235.08206	1.8
253.09245	8.3
263.20221	2.3
291.19666	5.9
293.21075	1.1
309.20731	20.4
310.20956	2.1
327.21655	1.4
445.20715	2.8
458.54971	0.9
463.21951	6.0
545.29150	0.9
706.80640	0.9
755.42175	95.7
756.42572	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.3
57.03421	2.5
59.01379	100.0
61.98824	14.5
64.45187	1.9
64.71681	2.0
71.01012	3.6
71.01381	58.3
71.05862	4.9
72.99310	5.1
73.02946	12.3
75.00865	6.4
80.16003	1.8
81.03449	2.0
83.01380	9.4
85.02935	25.1
87.00871	4.9
88.98801	4.9
89.02429	18.3
95.01376	4.1
96.96024	4.1
97.02929	3.2
99.00864	6.2
101.02444	37.7
101.50695	2.0
111.00810	2.0
113.02431	29.8
119.03488	7.6
123.26853	2.2
125.02457	9.5
130.39165	1.9
150.06808	2.6
161.04562	4.6
309.21072	2.2
311.51617	2.4
327.45093	2.0
345.30063	6.6
399.28391	2.1
399.64688	2.1
489.34244	4.3
507.35178	9.0
651.39624	94.1
652.39984	19.8
669.40686	63.1
670.40649	11.8
711.41077	35.7
712.41632	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	755.4222
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.2
58.00579	1.2
59.01390	6.7
60.88434	1.1
61.98830	6.3
68.63046	0.9
69.92715	5.2
71.01389	7.5
71.28065	1.1
73.02956	2.7
78.91889	26.2
81.03462	1.2
83.01412	1.1
83.05032	1.3
85.02954	3.0
85.09439	1.0
87.00900	1.8
88.24151	1.2
89.02448	4.8
89.02973	1.0
94.24339	1.1
96.51781	1.1
97.02952	2.2
97.06566	1.7
101.02463	5.8
111.08162	5.0
113.02438	1.9
115.29391	1.1
119.03457	1.7
125.02458	1.5
137.86255	1.3
138.35851	1.3
165.12854	12.7
166.41882	1.1
169.12331	2.3
171.10234	3.4
183.13907	100.0
184.14235	4.7
197.11850	19.2
198.12222	1.8
199.13240	1.4
209.11783	2.6
211.13374	3.4
225.11369	1.4
227.12859	7.4
235.08212	3.8
247.20685	1.4
253.09346	7.8
291.19647	14.6
309.20724	20.5
310.21173	2.2
327.21606	1.8
408.21942	1.3
435.21674	1.1
445.20682	2.5
459.33197	1.3
463.21774	5.1
478.63065	1.0
755.42255	98.5
756.42645	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	753.4059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19709	1.5
59.01363	8.4
61.98829	9.3
71.01391	8.2
71.04995	2.2
71.20120	2.4
84.93097	1.6
87.00900	2.1
89.02431	4.4
97.06577	2.0
101.02440	5.1
109.06594	7.3
111.04463	2.9
113.02473	2.2
152.81917	1.8
156.56494	1.9
165.12831	9.4
167.10760	2.3
183.13890	100.0
184.14256	5.6
195.14049	1.6
209.11940	2.6
225.11348	3.7
225.14009	1.9
227.12894	7.6
235.08243	3.8
245.19081	3.4
253.09285	7.7
289.18082	59.8
290.18463	6.3
293.21106	1.8
294.91006	1.8
307.19232	4.3
362.60687	2.0
445.20743	4.0
450.45169	1.9
458.09616	1.8
463.21866	6.1
535.44586	1.6
730.29462	2.0
735.39801	5.6
753.40668	74.9
754.40710	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.3
61.98827	100.0
62.17305	0.3
68.06508	0.3
69.42786	0.2
71.01389	0.5
71.50911	0.3
78.19318	0.2
79.63910	0.2
96.96014	0.6
99.60122	0.2
101.02498	0.3
103.48558	0.4
114.93417	0.3
115.00337	0.2
123.23313	0.3
139.70448	0.2
153.34328	0.3
235.25212	0.3
361.28217	0.2
593.24536	0.4
600.68347	0.3
755.29065	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	0.8
61.98829	1.9
69.51386	1.3
69.51795	0.5
71.01381	1.3
72.99303	4.0
75.00872	100.0
76.01214	1.0
84.21877	0.3
85.02929	0.3
87.00880	0.3
89.02438	1.4
91.90042	0.2
101.02454	0.9
113.02441	0.3
113.40347	0.3
119.03523	0.3
125.02448	0.6
148.99252	0.3
188.07680	0.3
235.08238	0.6
249.05920	0.3
265.24741	0.3
277.21759	3.1
278.22009	0.5
308.32828	0.4
397.13535	6.0
397.18558	0.5
398.13824	0.4
415.14545	2.1
751.25903	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
60.31410	0.5
70.02171	1.1
70.02562	1.7
71.01376	12.1
72.99306	2.7
77.81553	0.6
85.02939	1.6
89.02437	1.5
107.04988	0.9
111.43204	0.6
115.00371	31.6
116.00748	1.0
116.12202	0.7
119.04983	0.7
129.01962	0.7
133.01424	100.0
134.01772	2.4
134.03729	3.4
135.04520	52.9
136.04889	2.0
163.04016	1.4
177.01904	1.7
179.03490	72.1
180.03860	3.5
191.05641	2.4
205.03502	1.3
209.46576	0.6
219.02930	1.2
295.04471	3.5
341.08780	22.0
342.09137	1.4
457.09949	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	753.3917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.1
55.25576	2.0
57.03431	6.6
58.00599	3.1
59.01381	97.7
61.98833	29.1
62.93743	1.8
69.03441	2.8
71.01382	61.6
71.51187	3.8
72.99316	5.4
73.02956	15.6
75.00875	11.6
78.32411	2.2
83.01395	12.1
85.02942	29.3
87.00880	8.1
88.98803	7.0
89.02443	26.1
90.31962	2.0
95.01382	4.6
96.19410	2.3
96.95997	8.6
97.02944	3.9
97.50437	2.2
99.00873	6.9
99.04468	3.4
101.02441	42.0
101.98168	2.3
103.00375	2.3
111.00912	5.1
112.01656	3.3
113.02449	31.8
115.00352	3.1
119.03503	10.3
125.02420	6.5
134.03711	2.3
135.04515	4.3
143.03461	5.5
144.48503	2.1
159.03020	3.4
159.04443	5.7
161.02426	3.5
161.04663	4.3
174.01643	2.6
179.03433	4.1
199.09828	2.3
227.64636	2.0
257.17682	2.3
279.46039	2.1
343.28558	4.7
435.27582	2.1
487.33118	10.5
505.33774	13.9
506.34012	2.3
548.27795	2.5
609.30865	4.7
631.24237	2.9
643.32568	2.5
649.38068	100.0
650.38525	20.0
667.39142	71.4
668.39276	14.4
709.40179	34.6
710.40131	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	751.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33373	0.3
56.22367	0.2
59.01372	0.4
61.98832	2.1
71.01366	0.6
71.49837	0.5
78.95905	6.7
79.95741	3.6
94.98073	0.4
96.96011	100.0
96.96913	7.9
97.95967	0.5
101.02475	0.3
125.92944	0.3
131.38850	0.3
140.10564	0.3
219.10065	0.3
222.26868	0.3
255.23230	0.6
353.57520	0.3
380.70154	0.3
393.90427	0.3
397.13434	0.4
411.00244	0.3
435.08539	0.3
453.09360	0.6
670.78876	0.3
674.12018	0.4
691.32123	0.9
699.35864	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.375
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.4
61.98837	1.6
70.08823	0.9
71.01380	1.3
72.99310	4.4
73.99638	0.4
75.00874	100.0
76.01201	0.7
78.61253	0.2
85.02962	0.3
87.00851	0.3
89.02469	1.2
97.02962	0.4
98.19914	0.2
101.02471	1.0
107.82461	0.2
113.02443	0.7
119.03521	0.6
125.02463	0.4
143.03551	0.3
161.04562	0.3
165.49483	0.2
179.05588	0.3
235.08214	0.7
277.21732	3.6
278.22046	0.4
287.07770	0.4
305.08896	0.3
387.32501	0.2
397.13513	7.6
398.09055	0.2
398.13934	0.7
413.56061	0.3
415.14584	2.2
436.62131	0.2
594.74774	0.2
675.72058	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.5
60.01697	0.2
61.01810	0.1
61.98827	100.0
62.98521	0.2
69.98566	0.6
70.76276	0.1
94.68656	0.1
211.35606	0.1
415.54596	0.1
514.13654	0.2
515.13733	0.3
529.15247	0.4
615.20679	0.2
616.20135	0.8
617.20361	2.5
617.30194	0.1
618.20801	0.2
649.20013	0.2
690.23682	0.2
750.24432	3.4
751.24683	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.5287
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00587	2.5
58.81421	2.1
59.01378	28.3
60.44455	2.1
61.98818	4.8
69.89748	11.7
71.01380	21.7
74.49722	1.9
85.02913	4.3
88.89065	2.3
89.02444	28.3
98.19955	3.3
101.02431	16.7
113.02436	8.2
119.03484	14.7
122.13264	2.6
122.97591	3.6
143.03482	3.4
177.27707	2.3
179.05600	12.2
189.72897	2.5
192.26143	2.7
225.22200	4.5
386.15955	2.6
386.70999	2.2
513.20752	2.4
534.48883	14.5
552.50092	7.5
696.53400	2.7
714.55219	100.0
715.55652	22.9
750.39954	4.0
750.52917	27.5
751.52527	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	750.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01500	0.1
54.08554	0.1
59.01378	0.7
60.01697	0.1
61.98829	100.0
62.98532	0.2
70.05492	0.2
70.05889	0.4
79.95710	0.3
80.96529	0.2
84.89082	0.1
88.98808	0.2
91.67628	0.1
94.98112	0.1
96.96006	2.2
98.20018	0.1
155.92288	0.1
215.50101	0.1
253.14426	0.2
254.68007	0.1
267.77557	0.1
277.21857	0.4
331.19351	0.1
460.76871	0.1
528.15057	0.2
529.15576	0.2
572.17761	0.2
598.20233	0.2
599.19202	0.2
600.20300	0.3
604.23639	0.4
609.05688	0.1
614.19476	0.1
615.19250	0.5
630.20837	0.2
634.24884	0.2
658.21533	0.6
670.29736	0.4
674.21106	0.2
675.20886	1.0
690.24457	0.2
750.22894	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.2
56.96752	1.3
57.03436	5.2
58.00589	2.1
58.86594	1.0
59.01377	100.0
61.98827	12.1
66.08689	1.3
69.03426	2.3
71.01379	63.2
71.10777	2.7
72.01703	1.6
72.99297	4.5
73.02945	20.2
75.00874	1.3
83.01394	8.2
83.29604	1.1
85.02946	16.0
87.00874	5.3
89.02440	43.3
95.01376	5.2
96.96004	6.1
99.00866	1.5
99.04504	3.2
101.02441	36.2
102.02791	1.2
113.02444	38.4
115.00333	1.2
118.60158	1.0
119.03497	20.4
121.02926	1.4
125.02417	3.6
131.03500	4.9
133.01421	1.7
135.04463	1.7
143.03514	6.4
149.02403	3.2
149.04510	2.6
149.06079	1.5
150.03148	5.9
159.04453	1.3
161.04559	12.2
165.05533	8.6
170.55432	1.0
177.01965	1.4
179.03371	1.3
179.05621	15.5
179.07054	2.5
187.04091	1.4
191.05576	1.4
193.05031	1.4
195.06703	6.4
199.09752	2.0
209.08173	1.3
211.06178	1.1
255.06319	1.2
301.10419	1.3
306.22824	1.2
309.07675	1.2
327.12131	1.7
339.12500	1.7
401.21548	2.5
483.29602	8.3
501.30396	2.3
550.08832	1.2
645.34833	30.9
646.35223	5.0
662.70081	1.4
663.35858	22.3
664.36163	4.4
701.26233	1.2
705.37067	9.8
706.36804	2.6
749.28888	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	749.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.3
57.03450	5.9
59.01380	73.7
61.98829	18.4
69.03465	1.8
69.55072	7.1
71.01378	34.9
72.99287	1.7
73.02950	10.1
75.00858	2.6
75.51792	0.9
78.95895	1.1
83.01388	6.4
83.05052	2.0
85.02948	15.4
87.00855	3.3
87.04508	1.3
88.04012	1.1
88.16940	0.9
89.02453	10.9
93.03453	1.3
95.01402	4.4
95.04929	1.1
97.02949	2.3
99.00873	3.2
99.04517	3.0
101.02444	20.4
108.02158	1.2
109.02962	1.2
111.00843	1.7
113.02454	12.7
113.06156	1.1
115.00375	2.2
119.03516	4.2
119.05062	1.4
121.02934	2.0
122.03745	1.1
123.04513	1.1
124.01665	1.3
125.02422	4.6
127.03974	2.9
128.03491	1.2
133.01460	1.5
135.04538	3.4
137.02391	1.1
139.03967	1.6
141.01753	1.1
143.03508	2.5
147.04480	1.4
149.02438	3.0
150.03186	3.2
151.03920	2.2
152.28468	1.1
155.10878	1.3
159.04480	2.9
161.02512	1.8
161.04549	3.0
165.05580	4.0
165.12871	2.1
174.03278	1.2
175.03998	1.6
177.01894	2.5
179.03526	1.7
179.05627	1.5
179.07124	1.7
183.13826	1.5
191.05547	3.1
195.06567	2.4
201.01923	4.1
203.03412	1.5
239.02856	1.1
255.06313	1.1
293.13696	1.1
312.09991	1.5
327.12433	2.0
357.26645	2.7
409.88519	1.2
468.67703	1.1
483.29391	3.1
499.29208	1.8
500.29852	1.7
501.30600	28.2
502.31085	3.3
543.31732	100.0
544.32098	13.1
567.32404	1.6
629.35486	1.3
640.67041	1.2
645.33997	5.1
647.36414	2.3
663.35431	2.1
705.37128	5.2
707.84033	1.1
749.30823	1.9
749.44519	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	749.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.4
57.03449	4.3
58.00592	3.1
59.01378	100.0
60.01729	1.7
61.98828	10.0
70.36181	3.6
70.36549	3.4
71.01382	67.5
71.05082	1.6
72.01623	1.7
72.95624	1.4
72.99300	5.0
73.02952	14.8
83.01373	7.7
83.05022	2.6
85.02944	21.7
87.00878	4.4
89.02442	51.6
95.01373	6.1
96.95998	5.2
99.00846	1.9
99.04521	2.3
101.02444	36.3
108.94256	1.6
113.02443	37.2
115.00402	2.4
119.03494	20.2
121.02916	2.2
125.02431	4.2
131.03476	2.8
133.01436	2.6
135.04501	2.3
136.07632	1.5
139.07732	1.6
143.03468	5.0
149.02434	3.0
149.04547	3.6
150.03246	7.3
151.03957	1.7
159.04500	3.8
161.04565	13.1
164.04767	2.3
165.05528	6.8
179.05635	15.9
179.07082	3.1
180.04190	2.4
195.06567	4.8
243.72063	1.7
259.63422	1.7
275.41156	1.6
297.07776	2.3
301.12085	1.7
309.07974	2.2
324.09686	2.1
325.10541	1.6
327.12381	5.0
339.12360	4.6
343.11673	3.9
483.29346	12.8
484.29678	1.9
501.19293	2.3
505.18820	1.8
585.16290	2.7
645.34778	30.6
646.34985	5.9
663.35950	20.7
664.36237	2.4
687.94617	1.8
705.36957	9.7
706.36603	2.2
749.28619	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	749.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.5
57.03447	7.6
58.00593	4.3
59.01378	39.5
61.98830	10.6
63.09172	1.4
65.57140	1.4
69.03460	4.0
69.96191	5.8
71.01383	19.2
71.05013	1.9
72.99309	2.2
73.02943	10.7
79.96210	1.5
83.01384	4.1
83.05010	1.7
85.02940	12.4
87.00867	3.0
87.04508	29.7
88.98817	1.8
89.02441	8.0
93.03482	3.9
95.01389	2.2
96.96009	2.6
97.02961	5.8
97.06593	1.9
99.00883	2.4
99.04521	5.6
101.02440	14.9
107.05023	1.4
109.02921	1.8
109.06597	2.8
111.04546	2.6
111.08150	2.1
113.02422	9.8
115.00390	1.5
119.03491	3.3
121.02924	4.6
121.06570	1.6
122.03727	10.8
123.04597	2.8
125.02443	5.1
125.06120	2.2
127.07638	1.7
133.01448	2.2
133.02951	3.4
134.03645	1.7
135.08141	4.0
136.01645	2.1
137.09726	23.1
139.07632	5.8
139.11301	2.0
143.03479	1.6
149.02441	35.7
149.09642	1.6
150.03224	72.3
151.03996	10.4
151.11281	4.0
155.10773	100.0
156.11052	3.8
161.02449	13.1
161.04581	1.9
161.06059	2.0
162.03197	3.3
163.07599	2.6
163.11261	3.2
164.04799	8.2
164.28801	1.3
165.05562	69.4
166.05911	2.7
167.10736	3.6
169.12325	6.6
175.07614	1.8
176.04762	6.7
177.05537	2.6
177.09122	2.0
179.03490	24.9
179.07111	3.9
179.10797	9.3
180.03149	1.2
180.04289	12.1
181.05040	4.2
181.08658	7.8
187.54343	1.6
191.07140	2.6
191.10767	8.1
191.98181	1.4
193.08716	2.0
193.12358	2.8
194.05841	21.3
195.06622	66.0
195.10252	7.2
196.07011	2.7
199.09752	99.0
199.13490	4.0
200.10094	3.1
209.08197	29.1
209.11713	1.5
210.08600	2.1
213.11330	4.1
223.09761	3.4
227.12860	2.5
237.11395	3.3
241.10802	27.5
242.11070	1.8
253.10806	7.7
255.12320	4.4
258.38190	1.5
283.11850	46.1
284.12253	3.8
342.11026	5.4
343.14005	39.3
344.14359	2.6
348.39865	1.4
357.13412	29.0
358.13873	2.9
386.41614	1.5
391.14117	2.1
405.15500	4.1
483.29364	2.6
501.30920	1.7
510.46960	1.6
539.21204	21.2
540.21198	2.8
645.34442	7.1
663.35834	7.3
705.38000	2.4
749.29968	35.4
750.29761	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	747.3813
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42939	1.9
57.03447	9.2
59.01382	98.2
61.98833	33.3
65.12488	2.0
68.67569	1.9
71.01390	27.7
71.50945	2.7
73.02926	10.4
81.03488	2.3
83.01403	3.4
83.05029	27.7
85.02953	11.9
87.00869	2.5
88.98832	2.6
89.02463	8.2
96.96029	4.3
97.06607	2.3
99.04532	7.0
101.02436	14.6
111.08154	2.3
112.01741	2.5
113.02453	12.9
116.92851	4.0
118.86886	1.8
121.06580	2.3
122.03740	3.6
125.02443	4.4
127.04021	100.0
128.04420	2.9
137.06104	9.9
139.07646	22.3
150.03229	2.8
161.04539	2.4
165.05576	21.3
187.69319	2.2
239.51170	2.8
269.13162	2.4
337.10843	19.5
419.31241	2.9
437.32852	7.0
455.33585	2.6
461.93976	2.4
499.29221	12.0
515.32007	11.8
533.33636	4.8
541.30176	2.5
543.31744	2.9
580.37842	2.4
599.38062	23.2
600.38281	3.1
617.38861	14.1
643.39893	2.4
659.40045	11.7
660.41443	2.3
685.37433	3.2
687.42859	3.9
703.39087	34.1
704.39752	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	747.252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48279	0.4
59.01378	100.0
60.01719	0.8
65.24112	0.4
65.35985	0.4
68.78013	0.5
69.13850	1.2
69.14259	3.2
80.60700	0.4
87.66190	0.4
132.94006	0.5
149.03828	0.5
158.24374	0.4
175.16382	0.5
248.78502	0.5
251.12846	1.6
255.23219	0.5
277.21744	1.5
389.54486	0.4
415.93182	0.4
455.17267	2.8
456.17728	0.6
467.13654	0.7
468.10144	0.6
469.11496	1.0
473.18372	4.9
474.18701	1.4
483.12662	0.8
495.12485	0.5
496.13751	2.1
499.16559	0.5
510.15219	0.9
511.15665	0.7
512.13385	9.8
513.13660	2.0
525.13983	0.6
526.14917	11.1
527.15411	4.3
528.15857	0.6
542.17462	0.7
569.16907	1.8
570.17023	0.7
587.17444	0.5
598.18451	0.6
599.17889	1.4
600.18707	1.9
601.19482	4.2
602.19305	1.3
613.19177	1.8
614.20154	68.4
615.20447	19.1
618.15692	0.5
632.17169	1.5
646.19135	7.6
647.19183	2.2
672.20819	0.6
673.21271	1.0
687.23260	4.8
688.23248	1.5
747.25171	51.6
748.25354	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.0
57.03434	7.8
58.00587	1.5
59.01378	80.3
61.98829	22.3
69.03454	11.7
71.01382	35.2
71.05029	1.5
71.50720	1.5
72.99304	4.4
73.02949	16.1
75.00854	1.1
83.01383	4.5
83.05023	4.6
85.02950	14.9
87.00867	4.4
87.04515	2.2
89.02444	13.3
95.01366	2.7
95.04971	1.5
97.02950	3.4
99.00875	4.9
99.04522	4.6
101.02439	20.1
109.02934	1.8
113.02459	13.6
115.00362	2.1
119.03488	5.8
121.02885	1.2
123.04482	2.1
125.02415	3.6
127.04007	10.8
128.56180	0.9
131.03453	1.4
133.01413	2.0
135.04495	1.9
137.02455	1.3
137.09645	1.6
139.07632	2.7
143.03500	2.3
149.02370	2.8
149.04550	1.1
150.03221	3.7
151.04036	1.1
151.07669	1.1
155.10762	1.6
159.04398	1.5
161.04550	2.9
165.05548	6.4
173.06036	1.1
175.04080	1.0
177.01881	2.6
179.05550	1.5
181.12354	1.2
185.00891	7.3
191.05589	1.6
192.04256	2.5
195.06546	1.6
195.17578	1.3
199.03943	1.0
203.03592	1.3
207.06613	2.9
282.91345	1.1
304.17419	1.0
329.13519	1.3
335.08923	1.1
337.10437	1.5
441.96640	1.2
480.20325	1.1
499.29001	14.2
500.29230	2.1
515.32452	1.7
541.30151	100.0
542.30463	17.2
559.31189	2.8
561.32629	5.9
565.30811	1.4
599.37994	1.7
643.39575	4.5
645.34882	1.3
703.38477	4.3
747.34045	2.0
747.46338	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	747.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	66.0
60.47124	1.5
60.99306	1.5
61.98814	2.9
69.42098	10.8
70.76712	1.4
72.99286	1.5
83.68005	1.4
88.98805	13.9
89.02434	1.7
91.59940	1.5
92.92806	11.2
98.20672	3.0
105.72024	1.5
109.51240	1.5
116.92862	4.0
162.38583	1.4
233.11737	1.9
251.12872	8.9
277.21667	12.3
409.49207	1.4
442.22842	1.6
445.59158	1.5
455.17368	1.7
467.17334	1.7
469.18900	4.0
479.16925	3.2
480.13992	2.0
481.14590	2.3
483.20541	2.5
487.21283	1.6
493.18820	1.8
494.16370	1.5
495.16678	11.8
497.21884	4.1
498.15244	2.2
498.22083	2.0
499.16113	6.5
500.16641	3.4
510.15738	1.6
512.13452	4.3
513.17499	1.6
523.16217	16.4
524.16602	4.7
525.14789	2.0
526.14960	22.6
527.15564	8.7
528.16248	2.0
538.18585	4.7
539.16272	3.5
540.16046	2.0
541.21399	9.6
542.21686	3.2
554.14105	2.4
555.15857	3.1
558.17218	2.1
569.16595	19.7
570.14880	8.2
571.18500	2.7
581.16675	2.1
582.17572	2.4
596.19061	39.2
597.19830	41.5
598.20325	8.6
599.20880	6.8
600.20972	2.7
601.23114	64.9
602.23315	20.2
612.18567	59.2
613.18762	19.8
614.20245	15.0
615.20850	3.1
617.22192	1.9
627.20984	15.8
628.18555	13.8
629.18274	4.4
631.24231	17.2
632.22559	8.7
633.21198	2.2
655.20483	60.7
656.20728	20.9
657.22137	11.6
658.21753	3.5
672.20734	100.0
673.21045	30.4
675.23199	2.7
687.23047	22.7
688.23523	8.7
704.19568	4.4
747.25366	11.5
748.25519	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	744.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07898	0.1
58.04441	0.1
59.01377	0.2
61.98829	100.0
62.98533	0.1
81.65442	0.1
81.88476	0.1
82.55624	0.1
90.11972	0.1
133.01468	0.1
283.26367	0.1
393.12491	0.1
399.14142	0.1
399.78937	0.1
514.38586	0.1
658.39252	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.271
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43692	0.9
57.03442	2.0
58.00587	1.5
58.17641	1.0
59.01374	54.1
61.58092	1.3
61.98831	6.6
71.01379	31.8
72.99304	3.4
73.02936	6.8
83.01389	2.5
85.02940	6.1
87.00878	2.5
89.02442	31.3
93.03456	3.2
95.01402	2.0
96.96023	3.6
98.38693	1.0
99.27309	0.9
101.02428	18.2
109.02941	1.6
113.02437	15.3
119.03500	14.3
121.02945	5.4
122.03728	12.7
122.04552	1.7
123.04517	1.4
125.02476	1.6
127.66344	1.0
131.03488	1.7
133.02954	2.9
135.04488	1.7
136.01648	18.1
137.02451	2.2
137.81462	1.0
143.03462	3.5
145.02942	3.4
146.03757	1.1
147.04492	2.9
149.02415	17.4
149.04431	2.1
150.03207	87.6
151.00368	3.1
151.04016	16.2
153.25919	1.2
160.73662	1.0
161.02428	3.0
161.04520	4.0
161.05807	1.3
162.03253	11.3
164.04768	3.0
165.05554	93.8
166.02708	12.3
166.05896	4.3
167.03439	1.7
172.05333	1.1
175.03928	1.4
177.05544	9.8
179.05624	7.1
180.04262	7.8
181.05063	13.8
189.05630	1.1
191.05626	1.6
193.05032	1.4
195.06606	100.0
196.06944	6.6
245.08231	2.0
329.10352	1.5
357.09695	2.4
357.13443	8.3
372.11987	2.9
387.14447	32.7
388.14716	4.4
535.19550	4.3
536.20178	1.6
547.19818	4.0
569.64368	1.1
583.21619	13.0
584.21729	3.7
719.99420	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47377	0.9
57.03448	1.3
59.01382	21.9
61.98830	4.5
68.78500	0.9
69.69744	2.5
69.70152	1.9
71.01391	10.8
72.99296	1.2
73.02948	3.0
75.00876	1.5
83.01406	2.3
85.02962	3.5
86.44905	1.1
89.02455	5.9
93.03471	5.1
95.01376	1.6
96.96022	2.1
99.04466	1.0
101.02468	7.6
108.02135	2.1
109.02963	2.0
113.02464	7.1
115.00380	1.2
118.27023	0.9
119.03511	4.3
120.01240	2.4
121.02962	13.9
122.03753	19.1
123.00888	1.7
123.04617	2.0
124.01710	1.6
125.02446	2.1
125.84603	1.1
132.02176	1.1
133.01434	1.1
133.02957	4.5
135.04550	7.4
136.01663	19.9
137.02518	4.6
139.03972	1.1
147.04541	1.7
149.02443	30.4
149.06091	1.4
150.03232	98.5
151.00381	5.8
151.04025	27.0
152.01128	2.4
152.04388	1.3
154.02739	1.0
159.04575	1.6
160.05247	0.9
161.02484	1.3
161.04594	1.9
161.06001	1.5
162.03264	1.4
163.03989	3.0
164.04811	5.2
165.05576	100.0
166.02734	14.2
166.05849	5.7
167.03484	4.1
171.04521	1.7
172.05275	1.3
174.01698	0.9
175.02637	1.4
175.03940	5.7
175.07616	1.2
177.01964	1.5
177.05550	2.5
179.05667	1.7
180.04332	6.7
181.05054	20.0
181.06589	1.3
189.05548	4.2
190.06349	8.3
191.05576	1.1
195.06624	64.7
196.06956	2.5
205.04970	1.1
205.08809	1.2
215.03641	1.3
221.08159	2.0
282.05429	1.4
297.07703	1.1
298.94980	1.1
309.07700	1.0
315.08807	2.2
325.10880	1.0
329.10403	3.3
333.07962	2.2
339.08783	1.1
342.11102	1.7
356.12683	3.2
357.09668	4.1
357.13443	10.3
358.09918	0.9
358.14044	1.4
369.13351	1.4
372.12146	4.4
373.12823	2.5
386.13589	2.6
387.14502	54.9
388.14923	5.2
505.18619	4.6
517.19165	1.1
535.19727	66.6
536.20184	12.2
553.20624	1.8
565.20789	2.8
566.21588	1.0
583.21832	37.4
584.22260	6.8
643.33380	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	743.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13431	0.2
55.01897	0.4
56.57512	0.2
57.03428	0.7
58.00620	0.3
59.01383	100.0
60.01726	1.4
71.01387	10.2
72.99330	0.5
73.02956	4.2
75.00877	0.5
80.21989	0.2
83.01404	1.4
85.02956	5.8
87.00912	0.4
89.02471	1.0
94.53370	0.2
95.01416	0.7
97.03002	0.3
99.00885	1.7
101.02456	7.7
113.02466	4.0
119.03514	0.3
125.02491	0.5
135.01277	0.3
135.04532	0.4
138.05621	2.7
139.06004	0.7
143.03580	0.6
159.03014	1.0
161.04568	3.9
198.15352	0.3
225.15009	0.9
226.16124	0.3
269.10303	11.2
270.10818	0.8
311.11380	7.7
311.14832	0.5
312.11884	0.6
325.10846	0.3
387.20294	7.0
388.20782	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.6
60.09660	0.2
60.99311	15.9
61.98834	3.5
66.87688	0.2
73.22755	0.2
87.00874	1.2
88.00412	3.2
88.98811	100.0
89.02448	13.0
89.03015	0.4
89.99155	1.1
89.99639	0.2
95.52551	0.3
98.20694	0.4
101.02480	0.3
135.49693	0.2
140.32957	0.2
148.90883	0.2
255.23286	0.6
277.21744	0.4
278.21814	0.3
397.13516	1.4
539.10559	0.3
771.42566	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61820	19.8
61.98832	45.6
69.26952	89.5
69.27382	100.0
78.95883	48.4
84.01032	23.5
92.94003	20.2
106.45721	20.4
135.16592	21.9
152.99545	43.6
176.82643	22.9
181.74315	21.1
205.19615	24.7
211.13219	32.9
277.21643	35.5
278.21979	45.2
420.49023	21.9
507.26819	34.1
671.18384	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	742.3873
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.4
61.98832	100.0
67.58697	0.1
71.01369	0.2
71.75242	0.1
78.95915	0.2
89.02457	0.2
99.00881	0.3
139.27843	0.2
159.76170	0.2
181.12479	0.2
196.47093	0.1
200.13980	0.2
201.11353	0.6
208.10530	0.2
209.11835	1.1
210.12195	0.4
225.11470	0.3
226.11771	0.2
244.12779	0.2
253.09239	0.3
277.21725	1.3
278.22064	0.9
650.18445	0.2
741.43939	0.2
742.43262	1.7
749.50592	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.471
Annotation	Unknow
Peak:m/z	Relative Intensity
59.19197	1.8
61.98829	28.1
62.88580	1.7
69.98914	6.6
78.95901	46.3
80.11839	1.7
96.96964	5.3
98.20636	2.8
142.18730	1.9
152.98390	3.0
152.99577	49.1
171.00609	3.8
175.20328	1.8
175.65186	1.9
176.56584	1.9
227.03154	5.4
253.21710	31.5
254.22018	4.6
255.23347	2.5
275.20383	2.0
277.21701	88.5
278.22064	9.5
395.31622	1.9
505.25723	100.0
506.25943	11.7
741.46906	27.1
742.47437	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	741.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	4.7
59.01358	1.7
69.60955	0.9
69.61369	2.1
71.01373	12.0
72.99296	2.1
89.02430	1.6
89.14775	0.5
93.03480	2.6
99.04497	3.4
101.02422	1.5
107.04999	0.6
115.00365	34.4
117.03454	0.6
121.02954	8.6
125.02412	0.8
133.01422	100.0
134.01736	2.6
134.03748	2.0
135.04520	25.9
136.04764	1.0
139.04005	52.5
140.04350	1.9
143.03479	0.5
150.25703	0.5
164.86320	0.6
179.03487	27.1
180.03835	1.5
225.81161	0.6
226.71570	0.5
295.04550	4.3
301.09271	15.4
302.09726	0.8
305.08887	1.1
311.04739	0.6
325.09293	1.4
343.10223	3.8
344.45486	0.5
383.13419	1.5
427.12357	13.6
428.12750	1.6
445.13382	7.0
495.46967	0.7
622.14917	0.5
636.61353	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	34.3
61.98833	11.9
69.77538	12.8
71.01380	29.3
73.02958	6.3
78.95896	9.1
81.37626	3.2
83.01395	4.8
85.02947	6.1
87.00860	4.8
88.43422	3.0
89.02443	25.5
92.54128	2.8
97.02980	4.9
98.19832	3.3
99.00856	4.9
101.02432	19.8
113.02425	9.2
119.03480	7.5
125.02428	10.5
152.99582	8.2
155.04300	3.2
207.10265	3.7
225.11340	5.0
235.08209	8.9
240.30821	3.2
253.09395	4.1
253.21623	7.7
257.49081	3.6
277.21719	18.7
279.23166	10.5
283.26416	77.1
284.26758	10.0
287.07642	4.5
397.13458	100.0
398.13596	11.2
415.14554	28.6
505.25919	18.0
741.44867	18.3
742.45068	5.3
773.23236	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	741.4428
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	8.5
61.98830	10.1
71.01374	8.5
71.50662	3.0
78.95885	2.0
79.65270	1.9
83.01401	1.8
83.65439	1.8
89.02434	4.1
101.02429	6.3
103.82374	1.7
111.08144	1.8
113.02467	3.4
125.69534	1.9
137.96049	1.7
161.04451	1.9
165.12804	11.3
167.39876	1.8
183.13884	83.6
184.14221	5.1
195.13885	16.3
196.14247	1.8
209.11867	4.2
227.12801	5.9
236.08298	1.8
253.09265	9.0
277.21732	21.3
278.22134	3.5
295.22775	76.5
296.23071	7.1
445.20685	1.8
447.54822	2.1
463.21887	4.1
471.34494	2.2
505.25504	4.4
613.07959	2.1
691.52301	1.9
741.44269	100.0
742.44641	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	740.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37011	0.1
59.01381	0.2
61.98833	100.0
69.82012	0.4
69.82414	0.3
71.01386	0.2
79.38551	0.1
89.02470	0.1
101.02509	0.2
116.92886	0.5
132.62404	0.1
160.64099	0.1
183.13843	0.2
197.11850	0.3
199.13361	0.1
209.11920	0.1
211.13397	1.5
212.13773	0.6
227.12900	0.3
235.08456	0.1
253.09329	0.3
277.21890	0.2
279.23502	0.2
293.21326	0.3
305.83310	0.1
310.21307	0.3
505.25925	0.2
551.27863	0.1
740.43701	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32644	0.1
59.01378	0.1
61.98829	100.0
62.98516	0.1
65.69366	0.1
70.34309	0.1
114.28524	0.1
180.25340	0.1
209.23515	0.1
217.81152	0.1
299.80786	0.1
475.00806	0.1
495.66351	0.1
678.50031	0.1
679.50836	0.1
680.50739	0.5
696.37726	0.1
740.49457	1.4
741.17157	0.1
741.50549	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.6
61.98824	2.1
77.03963	2.6
78.95911	0.6
93.03458	0.5
94.98084	0.3
95.90782	0.3
96.96005	14.3
99.11671	0.3
121.02949	100.0
122.03284	3.0
137.02449	0.4
141.24367	0.3
152.99574	0.9
165.01917	71.5
166.02237	2.9
180.05745	0.6
181.06587	2.7
189.12779	0.3
191.03522	1.5
195.13927	0.4
197.06038	0.4
199.13350	0.4
209.11826	1.9
210.12135	0.9
211.13354	0.4
213.15022	0.7
225.05527	1.7
227.12901	0.9
228.13216	0.7
253.09250	0.5
253.21844	0.6
277.21530	1.4
293.21204	1.5
294.21542	1.0
309.20538	0.3
313.07169	1.9
357.01709	0.5
357.06137	9.8
358.06613	0.7
474.74997	0.3
485.80130	0.3
505.26190	1.3
549.10522	0.4
600.67548	0.3
643.20276	1.1
741.14630	4.6
742.14905	1.2
769.32190	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.2
61.98829	100.0
71.01405	0.1
74.92713	0.1
89.02444	0.2
98.20645	0.3
107.14985	0.1
129.51256	0.1
165.12704	0.2
183.13910	0.9
184.14272	0.4
280.23672	0.1
293.21268	0.5
294.21692	0.4
398.14243	0.1
400.14297	0.2
673.28308	0.2
740.43036	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	739.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00771	0.7
57.03431	2.1
59.01373	5.1
61.98819	1.9
69.22836	0.8
71.01381	5.2
71.05019	4.5
73.02972	0.9
78.95882	0.8
83.05012	1.0
85.02939	1.6
87.00880	2.2
89.02449	1.8
90.15925	0.7
95.05042	1.1
96.96014	7.6
97.02932	3.6
97.06591	4.1
97.65710	0.7
98.20696	1.5
99.00874	17.8
101.02443	4.4
109.06568	1.6
110.03748	0.9
113.02462	1.6
117.69415	0.7
123.08153	2.8
125.09702	9.3
153.12941	1.2
155.14468	0.8
161.04552	1.0
163.11261	11.5
171.10237	3.7
181.12325	21.9
197.11752	1.0
199.13387	7.2
207.10234	22.1
225.11295	33.8
226.11552	1.6
243.12346	11.6
253.09177	1.6
277.21695	36.6
278.22098	3.8
281.24698	1.2
360.52814	0.7
397.13348	1.5
461.20218	2.5
479.21198	5.5
544.20129	0.8
739.42682	100.0
740.43048	22.2
742.32611	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.8
55.76925	0.4
57.03446	1.7
59.01111	0.6
59.01383	6.4
61.98836	0.5
71.01379	5.6
71.05069	3.1
73.02939	0.9
83.05054	0.7
85.02943	0.9
87.00889	0.6
89.02457	2.7
95.01402	0.6
95.05043	0.5
97.02953	3.6
97.06580	2.5
99.00881	19.8
101.02448	3.2
109.06580	1.3
113.02440	1.9
119.03520	0.9
123.08146	1.4
125.09739	6.2
127.11271	0.4
135.08136	0.5
161.04535	0.8
161.09694	0.5
163.11299	10.9
171.10312	2.3
179.05663	0.4
179.10828	0.6
181.12346	19.6
182.12679	0.9
189.09242	0.6
197.11806	0.7
199.13388	14.4
200.13664	1.0
207.10258	30.3
208.10561	1.5
215.12885	0.6
223.13388	0.6
225.11316	43.5
226.11592	2.4
235.08118	0.8
243.12373	25.5
244.12694	1.2
253.09279	1.5
258.09473	0.4
277.21716	18.3
278.22009	2.2
280.23752	0.8
281.24728	1.3
281.44104	0.5
317.15955	0.9
397.13470	2.2
461.20160	4.2
479.21329	12.1
480.21524	1.3
577.37726	0.9
739.42719	100.0
740.43109	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.2
57.03436	1.2
59.01378	7.0
61.98807	1.4
70.05400	1.9
70.05795	1.5
71.01387	6.2
71.05009	2.7
73.02936	1.3
78.95892	1.1
83.01339	1.0
83.05019	1.1
85.02930	1.4
87.00845	1.6
89.02419	2.5
91.03168	0.8
93.73795	0.7
95.13530	0.8
97.02943	3.5
97.06580	3.1
99.00879	12.6
101.02445	3.8
105.22501	0.8
109.06567	0.9
109.50102	0.8
113.02423	2.9
115.03983	0.7
123.08115	1.5
125.09704	5.9
145.05028	1.0
152.99620	0.8
155.27150	0.8
161.04518	1.3
163.11275	7.3
164.93687	0.8
171.10297	5.3
181.12320	12.9
182.12749	0.9
197.11778	1.2
199.13390	12.9
207.10245	26.6
208.10558	1.4
225.11305	42.9
226.11623	2.3
235.08154	3.3
243.12367	8.8
244.12650	1.0
253.09201	3.8
277.21701	69.6
278.22098	4.8
279.23184	1.2
295.15817	0.8
443.19028	1.7
461.20221	3.6
479.21475	2.4
520.65448	1.0
577.37701	0.9
697.41534	1.1
721.41327	4.7
739.42621	100.0
740.43048	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	739.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.3
59.01379	7.5
61.98819	3.6
67.87861	0.7
69.03436	0.8
69.18214	1.3
69.18613	5.3
71.01017	0.7
71.01385	8.0
71.05015	2.1
73.02942	1.4
83.01408	0.7
83.05025	0.7
85.02950	1.1
87.00877	0.9
89.02449	2.9
95.05017	0.9
97.02946	4.9
97.06592	1.8
99.00881	14.4
101.02435	4.8
109.06599	0.8
110.03761	1.2
113.02426	1.9
123.08151	0.7
125.09731	5.2
127.11286	1.8
135.08223	0.8
136.05272	0.7
136.96396	0.7
142.02724	0.8
161.04654	1.1
161.09734	1.0
163.11288	6.9
169.64484	0.7
171.10268	9.6
179.10730	0.9
181.12338	16.1
182.12605	0.9
197.11775	1.2
199.13388	23.2
200.13719	1.4
207.10251	37.0
208.10580	2.5
225.11313	62.3
226.11772	3.7
235.08266	1.4
243.12350	15.5
244.12668	1.3
253.09291	4.9
277.21704	48.2
278.22015	4.1
279.23083	1.3
443.19412	1.1
461.20261	12.3
479.21548	3.2
721.41675	3.9
722.42377	1.1
739.42688	100.0
740.43042	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	738.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.1
61.98826	100.0
62.98523	0.1
71.01397	0.1
89.02441	0.1
96.03600	0.1
101.02456	0.1
277.21973	0.1
278.22156	0.1
279.23111	0.1
369.28397	0.1
370.67578	0.1
398.13773	0.1
399.14005	0.1
400.14520	0.1
489.32343	0.1
489.79337	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	738.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51942	0.1
59.01368	0.2
59.75778	0.1
61.61625	0.1
61.98826	100.0
62.98517	0.2
65.91556	0.2
70.37950	0.2
72.49001	0.1
91.97908	0.2
100.43512	0.2
101.25037	0.2
240.66426	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.5077
Annotation	PE(18:2(6Z,9Z)/18:2(6Z,9Z))
Peak:m/z	Relative Intensity
54.23797	3.0
59.02953	2.7
61.98829	5.0
62.51291	2.7
71.23605	3.9
76.88811	2.9
78.95897	27.8
83.69659	2.6
111.88879	3.2
152.99585	21.8
268.94659	3.0
277.21710	6.0
279.23260	100.0
280.23627	5.0
281.24857	4.0
309.21753	2.9
368.25195	2.8
458.26541	5.1
523.02509	2.7
525.74609	2.9
606.83893	3.0
623.83136	3.1
738.50836	62.0
739.50970	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	739.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52158	0.9
54.18458	1.1
55.39898	0.8
58.56296	0.9
59.01371	9.3
60.76208	0.9
61.98828	5.4
71.01381	5.5
71.05030	0.9
71.49208	1.9
73.02943	1.2
78.23141	0.9
82.85345	0.9
85.02924	1.8
89.02430	4.4
92.07452	0.9
99.28892	0.8
101.02433	4.7
105.94754	0.8
111.08157	2.2
113.02410	3.0
129.31120	0.9
161.04457	1.5
165.12825	9.4
179.14359	1.8
183.13887	77.4
184.14238	5.2
195.13876	9.7
196.14500	1.3
205.12193	1.1
209.11766	2.8
223.13420	6.5
227.12796	4.5
234.81337	1.1
235.08147	1.9
253.09303	8.9
256.13043	1.6
275.20135	6.7
276.20471	1.2
293.21207	56.4
294.21420	5.6
436.11166	1.1
445.20633	1.6
463.21701	4.0
464.22021	1.1
485.53494	1.0
739.42664	100.0
740.42957	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	737.5181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75225	0.6
59.01375	13.9
71.01369	0.7
72.95915	0.6
73.02914	1.2
81.03454	5.5
83.05025	13.4
96.96002	0.8
125.07153	1.3
143.08215	0.6
149.02458	1.4
150.03178	1.8
155.10707	1.3
165.05537	1.8
190.04906	0.6
195.06567	0.7
199.09915	0.7
203.73593	0.6
205.23657	0.6
207.15004	1.0
224.17651	1.9
225.16049	11.4
225.18127	1.0
226.16281	0.6
228.01158	0.7
259.77005	0.6
309.21902	0.9
316.42734	0.6
324.26590	0.7
333.22806	0.8
341.29211	0.9
345.13348	0.7
367.26959	1.0
433.31711	0.9
450.34302	1.0
451.32916	7.6
534.66449	0.7
550.43445	1.1
556.59308	0.7
659.48334	1.3
677.49640	100.0
678.49976	19.1
737.29901	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	7.5
61.98827	8.2
62.35969	1.4
66.00524	1.5
69.03448	6.0
71.01363	6.1
71.49561	2.6
78.95908	2.4
83.01350	1.5
85.02924	2.3
89.02464	1.6
101.02453	4.1
123.08101	2.4
125.09714	3.1
146.96585	1.5
151.11235	2.1
161.09689	4.4
179.10744	8.2
197.11824	44.5
198.12177	1.9
223.09828	1.8
241.10725	2.4
253.09335	1.6
277.21732	60.2
278.21960	7.2
279.23242	3.6
309.26276	1.5
546.38538	1.8
737.41089	100.0
738.41162	21.8
738.51404	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	737.411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	5.5
61.98821	5.6
69.03441	5.2
71.01366	5.3
71.05016	2.0
71.49921	1.5
72.99283	1.9
89.02400	2.0
93.88490	1.3
101.02448	3.0
107.04980	1.3
119.03493	1.9
123.08171	1.5
125.09696	2.1
146.96645	1.9
151.11324	1.7
153.12801	1.5
161.04536	1.5
161.09669	2.7
176.33432	1.2
179.10802	7.6
197.11813	80.2
198.12148	5.2
218.09576	1.2
223.09668	3.1
241.10748	3.3
253.09259	3.0
277.21689	37.1
278.22089	2.9
279.23245	3.2
477.19962	2.4
737.41101	100.0
738.41144	26.9
738.53033	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	736.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62938	0.2
59.01373	0.4
61.98832	100.0
69.98775	0.3
69.99168	0.5
72.14900	0.2
85.61485	0.2
107.46709	0.2
109.04485	0.2
136.26471	0.2
165.12570	0.2
253.84671	0.2
334.92657	0.2
455.17300	0.3
458.18011	0.3
473.18268	0.3
474.51584	0.2
488.18085	0.4
496.14401	0.4
497.14755	0.3
511.16342	0.4
512.13989	0.8
513.14600	0.5
526.15393	0.8
527.15881	0.4
528.16089	0.4
529.15833	0.3
530.15973	0.3
574.21887	0.2
586.20117	0.6
599.21014	0.6
614.20215	4.4
615.20483	2.1
616.21063	0.8
617.20557	2.4
618.20441	1.1
646.19641	0.4
676.20123	0.3
736.21039	1.4
737.21735	0.4
738.59906	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	32.6
69.69999	2.9
69.77332	11.4
89.05443	2.8
91.39639	2.5
93.36989	2.4
122.29028	2.4
133.01347	2.5
176.84016	2.5
181.14767	2.4
277.21735	3.6
282.37973	2.6
293.21255	3.9
466.16528	3.3
467.17126	13.7
468.17715	3.6
481.18732	6.8
509.18579	2.7
510.15921	3.1
523.16193	6.9
526.18939	11.1
527.19232	5.0
529.21710	2.8
537.17975	9.0
538.17987	4.7
541.20880	40.1
542.21198	10.5
544.21118	6.0
558.17603	16.6
559.17554	3.6
565.17303	5.9
582.17566	24.2
583.17578	4.9
597.19666	9.5
598.19220	3.8
641.19025	12.1
656.28259	4.6
673.21509	100.0
674.22113	23.4
676.21259	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	735.4349
Annotation	Nonactin
Peak:m/z	Relative Intensity
52.31313	0.9
57.03441	1.7
59.01381	8.6
61.98814	2.8
70.62647	1.4
70.62969	1.0
71.01389	5.9
73.02946	0.9
77.58282	0.8
78.71650	0.6
78.95911	1.9
83.01379	1.2
83.05011	1.3
85.02950	1.4
87.00862	2.4
89.02438	3.0
97.06565	2.2
101.02438	5.9
106.42573	0.8
113.02438	1.6
121.10131	0.8
145.05025	1.8
159.11777	2.4
161.04558	2.1
177.12845	22.1
178.13243	1.0
195.13904	61.5
196.14217	3.2
221.11847	4.0
235.08142	2.2
239.12939	4.3
247.69267	0.9
253.09274	7.6
277.21732	79.1
278.22006	6.8
346.46811	0.9
455.35641	5.1
456.35742	10.7
457.20688	2.3
457.36343	7.2
475.21646	4.3
735.43237	100.0
736.43469	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25591	0.5
53.63615	0.6
56.03464	0.5
58.65117	0.6
59.01382	1.5
60.32076	0.5
61.98829	13.1
63.54016	0.5
73.02958	0.8
75.00871	1.8
78.82570	0.6
87.43031	0.6
103.00394	1.0
163.26418	0.6
167.72585	0.6
183.13751	0.6
189.75612	0.6
217.00372	1.1
292.00037	0.7
452.11063	0.9
453.16055	0.7
455.17062	1.1
466.16464	0.8
467.12985	1.0
467.17825	0.7
473.18152	1.1
479.17090	1.8
481.19009	1.0
483.20316	2.6
484.21228	0.8
493.18988	1.1
494.18799	0.9
495.13062	2.0
497.18454	0.7
500.17368	0.9
508.16504	0.7
510.15320	8.0
511.15683	1.9
521.17950	1.5
523.16382	2.2
524.16772	1.0
525.17584	2.2
526.14557	9.5
527.15448	2.6
528.15546	0.7
529.15118	0.7
537.17780	1.1
538.18628	3.1
539.18933	0.8
542.17871	1.8
550.14929	1.4
565.17419	1.3
569.16730	9.2
570.16840	3.2
599.18060	1.4
600.18738	0.9
602.18304	2.0
613.00946	0.7
641.18988	3.3
644.19012	1.5
673.21509	100.0
674.21698	29.2
676.21606	5.4
677.21936	0.8
736.24292	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.381
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	6.6
58.00581	3.4
59.01379	100.0
61.98829	36.9
69.23608	14.5
69.24035	6.7
71.01382	56.0
72.99314	4.5
73.02943	17.1
83.01389	7.6
85.02953	17.2
87.00882	4.1
89.02445	32.7
91.54414	2.4
95.01381	5.0
96.96014	4.3
97.02928	3.2
99.00935	2.2
99.04495	5.8
101.02438	30.9
113.02451	38.7
114.02776	2.3
119.03509	16.3
125.02427	6.5
130.04190	2.4
135.80249	2.2
143.03488	4.5
149.04396	2.3
155.10760	6.0
159.04471	10.9
161.04538	7.9
162.84435	2.0
179.05635	7.2
203.03502	6.2
221.94461	2.3
469.31705	7.6
487.33139	3.2
631.36877	51.7
632.37292	9.0
649.38013	39.2
650.38239	7.9
691.39148	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	733.5779
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.0
64.67266	0.8
69.15312	0.7
69.45100	3.8
69.45515	1.9
78.02103	0.7
98.19932	1.7
100.16360	0.8
129.54166	0.8
139.39626	0.8
191.79768	0.9
202.15897	0.8
277.21582	4.1
420.37335	0.9
455.35281	100.0
456.35620	15.2
606.83032	1.2
698.43054	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38145	0.3
58.32632	0.3
59.01377	2.4
65.45222	0.4
71.01383	6.3
71.49765	0.5
72.99328	0.4
81.03471	0.4
85.02953	2.6
89.02428	0.5
89.03963	2.3
93.03503	0.4
96.95981	0.6
101.02435	0.6
104.02681	0.7
105.03464	3.4
109.02972	0.4
111.00901	0.9
115.00358	5.6
117.03465	1.6
121.02959	0.4
129.01942	1.1
133.00642	0.2
133.01427	11.0
133.02956	8.4
134.03746	20.1
135.04462	0.6
137.02426	0.5
143.13600	0.4
148.01657	0.4
149.02425	1.3
149.06099	1.6
161.02457	0.5
176.01172	1.3
177.01927	100.0
178.02284	5.5
179.03473	0.6
191.05600	1.1
193.05052	29.3
194.05443	1.5
205.03503	1.6
217.91214	0.4
223.04564	4.8
288.50400	0.4
307.60471	0.4
309.06229	1.5
312.02780	1.0
339.07483	0.6
381.08243	26.3
382.08575	2.8
621.14709	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70892	1.0
57.03441	3.4
59.01379	100.0
59.84303	0.8
60.01708	1.0
61.98829	11.8
69.03453	1.9
69.43233	5.3
71.01382	31.8
72.01720	1.3
72.99303	3.6
73.02938	7.2
75.00888	1.5
78.51480	0.9
81.03479	1.5
83.01393	4.1
85.02952	14.2
87.00875	4.0
88.98830	1.8
89.02444	11.4
95.01403	5.1
96.96038	2.4
97.02962	2.9
97.06582	0.9
99.00885	3.6
99.04544	1.4
101.02442	17.4
107.11753	0.8
111.00883	1.5
112.01706	1.2
113.02453	25.5
114.02810	1.1
115.00368	2.5
115.03998	1.4
119.03482	4.9
124.01656	2.2
125.02459	9.7
130.04266	1.0
133.01425	3.8
133.02887	1.0
134.03763	1.8
135.04555	2.0
137.02548	1.3
143.03488	5.8
151.04073	1.1
155.10774	4.3
158.07556	1.0
159.04485	7.6
161.04562	3.1
161.05952	0.8
175.44696	0.9
177.01897	1.0
178.02689	1.6
179.03459	3.7
179.05602	1.2
191.05585	1.0
191.51961	0.9
199.07635	1.4
199.09731	1.1
203.03458	4.9
235.24034	1.0
363.26434	1.0
383.24295	1.6
401.25708	1.3
421.55148	1.0
491.25952	1.2
509.27585	1.3
527.28601	23.6
528.28784	3.5
545.29639	68.3
546.30133	8.8
563.30695	18.8
564.31323	2.6
573.19751	1.4
587.30621	7.9
605.31854	11.3
606.31122	1.2
631.40155	5.3
649.37970	1.7
691.40417	1.1
735.41827	5.6
747.58423	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	733.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.8
57.03442	3.8
57.52840	1.0
58.00587	2.2
59.01379	100.0
61.98828	12.8
62.66986	1.0
65.61462	1.0
71.01379	52.4
71.06314	2.2
72.99303	3.2
73.02943	10.2
83.01385	4.2
83.87714	0.9
85.02946	15.5
87.00863	4.9
87.04550	1.1
89.02444	34.1
95.01380	5.6
96.96005	1.1
97.02966	1.5
99.00874	2.7
101.02436	27.6
102.64806	0.9
103.69552	0.9
113.02446	31.0
114.02777	1.4
116.92834	1.7
119.03494	13.9
124.01669	1.4
125.02410	2.9
126.75211	1.0
131.03479	1.8
137.02434	1.2
143.03539	5.3
149.04532	1.5
155.10774	1.8
159.04495	3.2
161.04514	8.3
171.67244	1.0
179.05579	5.6
184.05237	1.3
199.07622	1.6
203.03488	2.8
233.89900	1.0
257.24445	1.1
269.26962	1.1
333.32162	1.0
370.37704	1.1
393.65121	1.1
467.30026	3.1
485.31012	3.1
629.35272	47.1
630.35608	11.2
631.36639	6.3
632.37183	1.2
647.36371	43.0
648.36865	9.0
649.37817	1.8
673.41559	1.3
689.37665	12.7
690.37579	2.0
733.39581	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	733.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27941	0.9
59.01382	100.0
60.76088	0.9
61.98829	2.3
70.43953	1.9
70.44304	2.3
72.86866	0.8
77.47563	0.9
129.54393	1.2
131.94987	0.9
153.83031	0.9
196.58624	1.0
277.21774	1.5
498.15533	3.4
512.17053	4.3
573.18121	1.0
600.22284	38.7
601.22559	8.5
604.18274	1.3
632.21283	5.8
633.21564	1.1
673.24463	2.7
733.27246	26.9
734.27136	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	733.365
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	2.4
56.31895	1.9
57.03442	3.7
58.00578	1.9
59.01377	100.0
60.34520	1.8
61.98827	5.3
68.89154	1.6
69.43998	12.8
71.01012	3.4
71.01379	50.6
72.99314	4.4
73.02940	14.6
83.01363	6.2
85.02938	16.4
85.39250	2.0
87.00892	4.3
89.02444	30.2
93.86768	2.0
95.01399	3.0
97.02906	1.9
98.20581	3.8
101.02444	30.3
113.02444	31.3
119.03494	16.9
125.02448	4.3
131.03555	2.0
143.03467	5.9
146.68785	1.9
151.69595	1.9
161.04565	9.0
168.59828	2.4
179.05598	7.1
249.10994	2.2
252.75999	1.9
342.60709	2.0
382.57928	2.1
467.29773	4.6
485.30753	2.8
486.63324	2.1
591.74390	2.4
629.35352	54.3
630.35596	8.6
631.37561	2.3
647.36322	54.6
648.37109	11.8
689.37836	9.8
690.38055	2.2
719.06641	2.1
734.28796	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	733.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21650	2.8
57.03437	6.0
58.00601	7.1
59.01379	71.2
61.98836	22.5
65.84193	2.7
69.03469	3.9
69.43427	4.3
69.43829	20.2
71.01381	42.4
72.99297	4.0
73.02958	18.0
83.01378	7.9
83.05031	3.3
85.02946	17.9
87.00874	4.0
87.04517	20.8
89.02436	22.4
90.78551	2.9
93.03436	3.3
95.01372	5.1
95.05009	3.1
96.96006	12.0
97.02953	6.5
97.06590	3.7
98.19898	6.1
99.04504	6.5
101.02440	25.3
105.03484	4.5
113.02454	20.4
115.00377	4.9
119.03488	9.4
119.05040	3.5
121.02960	11.9
122.03738	11.0
123.04516	11.6
125.02435	6.8
128.49774	2.9
133.01416	3.9
133.02960	6.9
134.03732	100.0
135.04478	11.4
135.08136	15.1
136.01715	3.8
137.02444	12.7
137.05989	3.5
137.09735	20.3
139.04027	4.1
143.03537	5.4
149.02396	16.7
149.04823	3.7
149.06088	22.7
150.03229	87.0
151.04004	25.3
151.07657	5.6
151.11269	4.8
152.01077	3.1
155.10797	69.0
159.04539	15.7
161.04535	8.9
162.03174	5.0
163.07669	3.6
164.04718	3.6
165.05565	84.3
165.09331	3.2
166.05779	3.7
167.03600	3.2
167.10925	3.1
169.12317	4.5
176.04890	2.9
178.02744	42.0
179.03476	7.1
179.05615	7.0
179.10753	4.7
180.04224	4.8
181.05045	14.6
181.08694	5.4
185.00873	5.9
191.10800	4.7
192.04204	4.0
193.05043	87.3
195.06635	30.9
195.10225	4.5
199.09755	84.9
200.09901	4.6
203.03487	9.4
213.11356	3.8
216.67848	2.9
223.09959	3.8
241.10826	25.4
253.10754	6.3
255.12119	4.7
282.08887	3.7
283.11877	27.1
327.10837	4.0
327.79990	2.9
341.10159	10.0
343.14084	26.2
357.26389	5.8
373.14279	4.4
375.27515	92.3
389.12436	36.6
475.28934	7.3
493.29852	4.0
539.21405	7.3
543.28027	6.1
547.18329	3.7
575.32129	3.6
629.38348	8.4
647.38300	3.4
733.27185	89.4
733.39783	4.8
734.27539	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	733.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43957	1.2
54.90216	1.3
57.93910	1.0
59.01368	2.1
60.97334	1.1
60.99303	3.4
61.98818	5.4
63.07217	1.2
67.16425	1.2
68.87469	1.1
71.50115	1.2
80.32973	1.0
88.98800	12.9
90.44269	1.2
117.55299	1.3
130.28310	1.1
163.51370	1.1
245.74181	1.1
330.01059	1.2
467.13443	1.8
496.13007	2.3
497.14511	1.5
508.17493	2.2
510.15289	5.0
511.15994	10.0
527.15826	2.5
538.14813	3.9
544.19196	3.5
564.87860	1.3
567.18274	2.2
570.17358	1.7
583.18286	1.9
643.20416	100.0
644.20746	29.4
645.19867	1.7
733.23633	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	733.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97328	0.7
59.01385	7.1
70.97964	1.3
70.98312	0.9
75.00879	0.9
75.50930	0.7
78.91898	1.2
95.83555	0.7
101.29756	0.8
108.88539	0.8
147.63950	0.9
154.67369	0.7
317.16406	0.8
420.23337	0.9
425.13007	0.8
427.13968	1.2
438.09384	1.2
441.15814	1.1
442.16489	2.7
453.12073	1.7
454.09216	1.1
455.17368	7.9
456.17770	2.5
457.18829	16.3
458.19046	3.7
459.16949	1.3
468.10403	1.2
469.11575	2.9
470.16101	1.3
473.18411	12.5
474.15564	3.3
481.11404	2.0
482.12692	1.5
483.12592	1.7
485.18423	5.1
486.18381	0.9
496.13953	8.6
497.14835	4.2
499.16678	1.2
501.17627	1.2
502.14893	1.8
511.16013	12.6
512.13318	22.5
513.13672	6.8
513.20288	0.9
526.14990	16.6
527.15619	16.0
528.16278	4.6
529.17517	2.5
555.18927	1.2
560.15405	1.9
583.18292	10.3
584.19055	1.3
597.19928	3.1
598.19995	1.5
599.21777	7.2
600.20123	1.5
613.19666	0.9
614.20215	100.0
615.20654	43.0
616.21240	5.3
629.22430	1.4
645.21802	2.5
646.19269	7.5
647.19427	1.9
673.21338	5.4
674.21436	1.5
733.23114	4.6
734.23657	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
59.52036	1.2
60.04329	1.2
60.99303	4.0
61.98823	2.0
73.02950	1.4
73.53539	1.1
76.51225	1.2
78.50441	1.1
85.66782	1.2
86.34753	1.1
88.98798	12.5
89.02444	1.4
203.77214	1.1
222.17728	1.1
237.26588	1.3
273.93100	1.3
278.43024	1.2
380.37723	1.2
403.06271	1.2
480.97363	1.4
496.14120	3.7
497.14529	2.8
508.17432	3.7
510.15540	3.6
511.15891	9.3
512.16394	3.6
513.17664	1.9
523.19922	2.3
528.16327	1.5
540.16431	2.6
542.13971	1.5
544.16699	3.8
553.17920	1.4
556.19952	1.5
570.17511	2.1
571.18262	3.6
643.20386	100.0
644.20636	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.5
71.01379	15.1
89.03958	1.3
89.21833	0.6
97.07825	0.6
105.90303	0.5
111.62308	0.5
114.38043	0.5
115.00372	5.2
117.03468	5.0
121.02937	0.6
133.01379	1.2
134.03731	52.3
135.04062	2.1
137.02412	1.1
149.06068	5.6
168.28775	0.5
174.03334	0.6
178.02710	5.4
187.03961	0.6
191.00504	0.6
193.05034	100.0
194.05414	5.4
201.01895	0.9
215.07080	3.5
228.04218	0.6
230.38208	0.8
243.06595	11.0
244.06941	0.6
256.68539	0.6
281.47723	0.6
309.06122	2.6
423.12961	14.2
424.13284	1.5
536.76379	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
68.02111	0.4
69.40283	2.1
69.40693	0.5
71.01379	13.5
86.48621	0.4
88.65653	0.3
89.03975	1.4
115.00378	5.3
117.03455	4.6
126.46135	0.4
133.01414	2.2
134.03734	50.6
135.04059	2.4
137.02441	1.1
139.65118	0.3
149.06068	5.4
150.03210	0.6
165.05600	0.6
178.02686	4.9
193.05037	100.0
194.05342	4.4
195.06577	0.9
271.95029	0.4
309.06116	4.4
319.09631	0.4
320.10059	0.5
392.68555	0.4
437.51544	0.4
446.17584	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.183
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99598	0.3
59.01379	6.1
60.88770	0.3
61.98827	1.4
69.13731	4.2
71.01391	1.9
73.02945	2.1
76.90974	0.3
85.02947	0.8
89.02449	1.0
96.96011	0.9
98.20661	0.8
101.02461	2.0
101.32291	0.4
103.05524	1.4
113.02441	1.7
117.51538	0.3
119.03479	0.7
123.04509	0.3
125.02444	0.4
126.96352	0.3
130.04242	10.0
131.05025	0.8
133.01436	0.5
133.02959	7.3
143.04950	0.4
144.05809	0.7
146.03729	0.5
147.04636	0.6
149.04822	0.5
149.06068	4.2
150.34300	0.3
154.62782	0.3
157.02945	0.9
159.04512	100.0
160.04825	4.1
161.04575	0.4
163.07617	0.7
171.04514	1.0
173.06070	37.5
174.06490	1.8
185.02495	0.4
185.06076	0.7
199.04002	7.2
200.04225	0.4
203.03493	13.7
204.03741	0.8
319.09720	7.1
320.10114	0.6
345.07669	1.6
363.08740	5.1
364.09033	0.6
389.06604	2.5
407.07700	21.2
408.07971	3.0
551.12384	1.9
552.11737	0.6
569.12988	18.7
570.13171	2.5
731.18262	62.1
732.18677	11.9
750.87097	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.277
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.3
58.00601	2.4
58.97848	1.3
59.01377	100.0
61.98829	13.5
68.67017	1.3
69.03453	2.5
70.51307	4.5
70.83591	1.3
71.01382	44.1
71.57982	1.3
72.01745	1.3
72.99288	2.9
73.02943	35.9
75.00879	2.5
83.01403	11.0
85.02946	13.1
87.00868	2.9
89.02442	18.2
94.54453	1.3
94.82366	1.4
95.01408	4.0
95.10406	1.3
96.96013	3.4
97.02911	1.7
99.00857	1.6
99.04539	1.5
101.02443	33.7
103.96775	1.8
111.00901	1.6
113.02451	30.7
115.00362	1.3
116.92822	2.4
119.03503	9.4
125.02445	4.8
130.04269	2.0
131.03497	3.2
133.01418	3.0
133.02983	3.1
134.03728	2.8
135.04474	1.7
143.03488	6.7
147.04305	1.4
149.04524	4.5
150.03175	2.1
151.07619	2.1
152.01180	1.8
155.03421	1.6
159.04515	22.8
161.04602	9.8
165.05547	3.7
167.03505	1.5
173.06013	5.5
177.01901	3.4
178.02608	1.4
179.03267	1.7
179.05579	5.2
193.05048	3.9
195.06697	2.3
196.61729	1.3
203.03442	5.0
203.05426	2.4
221.06621	2.8
239.53563	1.3
240.84155	1.3
247.39502	1.5
291.06644	1.4
319.09750	3.0
341.10291	3.1
353.10144	3.6
407.07700	3.4
419.07159	1.5
482.21582	1.8
523.25500	15.2
524.25470	3.0
541.26410	21.2
559.27466	5.1
569.12646	1.5
583.27710	6.4
601.28778	5.8
731.17346	9.1
731.37408	3.1
732.18799	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	731.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51976	0.8
59.01374	4.7
60.49613	0.9
62.83764	0.7
63.64272	0.8
65.03960	1.5
67.01888	0.8
69.40630	6.2
71.01375	2.0
89.02430	1.8
91.05527	1.7
109.02959	6.4
111.01021	0.8
121.02950	1.9
123.04533	1.3
125.49198	1.1
130.04234	4.2
133.02965	1.8
135.04538	5.6
143.05064	1.2
145.06630	1.1
146.03728	1.7
147.04521	19.3
148.05316	9.1
149.06007	0.9
154.26613	0.8
159.04509	7.5
161.02399	2.5
161.06038	1.8
171.04506	14.7
172.05287	9.5
173.02383	2.4
173.06070	17.4
174.03212	12.2
183.04512	1.4
185.06068	1.9
190.09569	1.0
197.06076	8.9
199.02425	1.0
199.03931	4.9
203.03470	2.3
206.02164	5.9
207.02563	1.0
209.06056	2.5
223.04059	1.8
251.07150	13.2
252.07516	1.3
273.05612	1.3
275.10678	1.1
290.05722	1.6
291.06476	1.9
301.08612	3.5
317.08078	2.2
319.09738	100.0
320.10043	11.3
345.07654	34.3
346.08014	4.4
363.08676	6.0
371.05374	1.9
387.08569	1.9
389.06665	4.9
407.07581	1.7
481.08423	1.6
481.14987	18.7
482.15335	2.5
507.12839	9.2
508.13037	0.9
525.14056	10.2
526.14001	1.3
549.14087	2.0
551.11859	3.5
569.13049	15.6
570.13281	2.5
591.14746	1.4
623.99164	0.9
643.19824	1.5
687.19153	5.6
688.19373	1.8
731.18317	11.9
732.18048	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	730.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19787	0.1
51.51200	0.1
61.98832	100.0
62.98532	0.2
63.01376	0.1
63.07212	0.1
80.96523	0.2
81.41242	0.1
98.19843	0.3
109.89943	0.1
171.10306	0.9
172.10703	0.5
277.21838	0.3
278.22058	0.4
279.22498	0.3
318.48770	0.2
329.54694	0.1
411.85925	0.2
590.69611	0.2
658.55060	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.0
67.15784	0.7
69.28320	6.2
71.01373	1.4
71.94122	0.6
92.96126	0.7
101.23869	0.7
103.05551	1.7
106.63641	0.7
107.95374	0.7
115.00393	0.7
125.80402	0.8
130.04250	12.1
131.05014	1.4
133.02959	7.0
146.03702	1.2
146.63390	0.7
149.06061	5.6
152.40047	0.7
157.02948	2.7
159.04506	100.0
160.04851	4.6
171.04506	2.2
171.87556	0.7
173.06079	4.0
178.02687	0.8
185.02448	0.8
197.11287	0.7
199.04005	5.5
203.03500	36.1
204.03848	2.6
263.06958	1.3
273.05533	2.8
289.05139	1.0
291.06619	39.0
292.06964	3.9
301.08621	1.4
317.08313	0.8
319.09766	8.5
345.07712	8.2
346.07974	1.5
363.08810	7.7
389.06570	10.7
390.07056	1.6
525.14209	1.3
551.11951	9.6
552.11969	1.6
569.12872	7.6
570.13177	0.8
731.18268	39.6
732.18616	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	727.4637
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26205	0.6
59.01388	4.5
59.14752	0.6
61.98808	1.7
62.30468	0.6
69.49138	4.6
70.64342	0.7
71.01369	3.8
73.02944	1.4
83.01402	0.6
85.02946	1.1
87.00881	1.0
89.02451	2.0
101.02440	4.0
111.08221	1.0
113.02439	2.1
143.57361	0.6
161.04549	1.0
165.12831	7.8
170.21629	0.6
183.13895	57.3
184.14229	2.3
209.11797	2.7
227.12849	2.8
235.08202	2.6
253.09248	4.9
281.24847	100.0
282.25162	6.9
445.20581	1.8
456.14734	0.7
463.21735	1.6
607.24670	0.7
649.30200	0.7
727.46375	68.0
728.46619	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	730.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.2
59.90211	0.1
61.98829	100.0
62.98531	0.2
69.34681	1.2
80.96527	0.2
98.19951	0.3
98.71004	0.1
131.83488	0.2
159.05704	0.1
167.31091	0.1
171.10413	0.3
172.10648	0.2
179.69991	0.1
199.92105	0.1
201.25243	0.1
209.24570	0.1
259.76013	0.2
263.53214	0.1
277.21710	0.3
278.22034	0.4
279.22491	0.2
349.58539	0.1
372.34503	0.2
480.45200	0.1
548.65887	0.1
583.53174	0.2
714.98639	0.2
731.37616	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57096	0.4
55.51649	0.3
59.01376	18.9
61.98825	0.4
71.01382	2.6
73.02926	0.7
80.37968	0.4
85.02946	0.5
89.02451	1.2
90.57928	0.4
101.02444	1.6
113.02425	1.1
116.00745	0.3
116.36655	0.4
119.69072	0.4
125.09691	0.6
127.11275	1.3
153.09167	0.4
161.04506	0.9
171.10258	81.5
172.10605	3.3
179.05574	0.6
235.08223	3.8
253.09288	7.4
263.17819	0.4
277.21695	100.0
278.22055	9.6
279.22369	0.5
293.65189	0.4
295.12396	0.5
323.83386	0.4
407.19214	0.9
513.30377	0.8
727.45380	2.0
738.30731	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	14.2
66.99836	0.3
69.29549	2.6
71.01385	1.4
84.07497	0.3
87.00863	0.4
89.02470	1.2
98.19894	0.8
101.02441	1.9
113.02468	0.7
119.03483	0.4
125.09752	0.7
127.11292	1.8
141.96068	0.3
146.66753	0.3
146.68289	0.4
153.09238	0.4
161.04532	0.5
171.10265	100.0
172.10608	4.1
180.38272	0.4
184.14253	0.4
235.08241	1.6
235.83156	0.3
253.09254	5.4
254.09705	0.4
277.21701	47.3
278.22043	5.3
407.19299	2.6
408.77768	0.3
513.30444	0.4
660.91461	0.3
727.44189	1.4
730.66119	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	2.0
71.01372	1.7
71.50336	1.0
73.02948	1.2
75.00867	4.7
85.02934	0.8
87.04508	1.0
101.02424	0.7
113.02438	2.0
115.00383	0.8
130.04178	0.7
133.01434	0.9
135.04480	1.4
137.09717	5.6
151.88203	0.7
155.10773	77.1
156.11118	2.7
159.04482	3.1
169.12390	0.9
181.08672	1.2
193.01421	1.1
199.09741	100.0
200.10167	4.2
203.03488	2.2
241.10864	1.9
266.29495	0.7
271.68631	0.6
280.92542	0.7
361.14996	9.8
362.15198	1.2
372.40771	0.7
431.09778	2.0
447.10645	0.8
683.38562	3.8
739.66302	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.0
57.03445	3.2
59.01378	53.7
61.98830	27.5
69.03452	3.0
69.21502	1.0
69.21825	9.4
71.01379	18.1
72.99299	2.2
73.02948	8.3
74.46484	0.9
75.00884	3.7
76.71039	1.0
78.95904	1.2
79.23911	0.9
81.03480	0.9
83.01383	10.3
83.05006	2.2
85.02938	7.7
87.00848	1.0
87.04524	3.2
89.02454	5.1
93.03452	2.1
95.01425	0.9
96.96022	1.4
97.02934	3.2
99.00893	2.2
99.04513	1.6
101.02435	9.9
107.05014	2.4
108.02182	1.0
109.02952	2.0
109.06585	1.3
110.52015	1.0
111.00834	1.1
111.04486	1.8
113.02425	6.9
119.03508	2.1
119.05046	1.4
121.02957	7.8
122.03734	1.2
123.04539	2.6
123.08267	1.0
125.02451	2.8
133.01424	1.1
135.04506	3.5
135.08243	1.3
135.11798	4.8
137.02406	1.6
143.03462	1.2
145.02959	1.6
147.04507	2.8
149.02454	1.3
149.09746	1.0
150.03247	1.7
151.07626	1.4
159.04523	2.5
159.08131	2.3
159.11801	3.3
161.02429	0.9
161.04532	2.6
161.05960	1.1
161.09721	11.6
163.07681	2.4
165.05530	1.6
174.01653	1.0
175.07611	1.5
175.11179	1.0
175.22749	0.8
177.01959	1.4
177.05571	1.0
177.12933	1.1
179.03490	1.6
179.05545	2.0
179.10773	25.3
180.11020	1.1
183.11739	1.5
185.09727	2.3
191.05574	1.1
195.06639	1.6
201.12775	3.0
203.10779	9.3
205.08643	1.9
217.12225	1.8
221.11690	2.2
223.09763	5.5
224.06755	1.1
227.10812	1.2
229.08606	4.5
231.10286	2.2
240.04337	1.3
241.08748	1.7
245.11812	3.6
247.09720	4.2
253.09155	0.9
254.05675	1.0
255.10277	2.5
256.29565	0.9
261.11209	1.3
265.10876	3.0
269.08160	29.9
270.08438	2.1
271.09738	2.2
276.87778	1.0
281.08130	3.7
283.09735	14.0
289.10791	6.4
295.09509	1.5
296.10513	2.1
298.12158	2.1
299.09244	17.1
300.09494	1.7
307.11740	6.1
311.09213	29.5
311.12784	2.1
312.09830	3.3
313.10526	1.6
314.11569	40.2
315.12164	7.7
325.10590	4.4
326.11551	23.1
327.12213	5.9
329.13916	100.0
330.14194	9.5
341.13907	61.0
342.14255	5.5
367.13934	19.3
368.14236	2.2
505.35419	1.6
667.40601	11.6
683.37592	2.3
709.35931	1.1
727.29559	27.1
727.41565	4.2
728.29932	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	727.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.4
57.03452	6.0
58.57923	1.2
59.01378	38.1
65.03947	1.3
67.01891	2.4
68.99812	1.5
69.03454	10.6
71.01383	20.9
71.16031	2.7
72.99310	2.1
73.02947	16.6
73.95813	1.0
81.03448	5.3
83.01372	5.8
83.05009	4.0
85.02950	59.3
86.03286	1.6
87.00875	100.0
89.02428	1.3
93.03445	6.3
95.01383	22.8
97.02953	28.1
99.00894	2.0
99.04518	5.4
101.02429	3.2
103.04017	9.7
109.02953	11.1
109.47074	1.3
111.00916	6.1
111.04522	1.8
113.02449	22.6
115.00383	13.4
115.04014	1.8
116.37845	1.1
117.86522	1.1
121.03038	1.2
121.99567	1.2
123.04485	1.5
125.02457	2.4
127.04021	16.6
133.01428	6.9
135.04486	4.2
137.02402	4.3
139.00369	13.6
139.04080	1.7
141.05510	1.6
145.05075	7.6
153.01884	1.7
155.03488	2.6
157.01425	10.1
169.05049	4.6
171.02913	2.4
173.04555	2.0
175.02472	59.6
176.02785	2.3
179.03476	4.2
181.01387	1.7
187.24828	1.2
199.02475	42.7
217.03520	22.0
218.03946	1.6
222.72066	1.3
231.11238	1.3
259.07944	1.5
274.56360	1.5
285.06131	3.4
303.07251	15.7
321.08252	6.7
345.08167	9.6
387.09180	20.2
405.10242	6.5
563.12561	3.1
581.13654	2.8
623.14532	5.7
709.18329	16.5
710.00220	1.5
710.18097	2.6
727.19293	16.5
728.20026	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	725.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.6
59.01378	5.1
61.76741	0.4
61.98828	3.9
66.06805	0.4
69.66606	0.4
69.84133	2.0
71.01379	4.4
72.46542	0.5
72.99287	0.5
73.02944	1.3
80.96495	0.4
83.01389	0.7
85.02957	1.2
87.00864	0.5
89.02449	3.0
97.06577	0.5
101.02435	4.3
103.04047	0.5
111.08139	0.4
113.02425	1.7
116.72677	0.4
119.03488	0.6
161.04568	1.2
165.12833	5.8
172.36644	0.4
179.05640	0.6
183.13887	100.0
184.14229	4.3
209.11783	1.4
223.06895	0.4
227.12918	5.0
235.08223	2.5
253.09274	5.2
279.23270	43.9
279.94266	0.4
280.23615	3.5
419.22910	0.7
445.20676	1.6
463.21802	4.9
464.22064	0.5
512.88605	0.5
725.44788	63.2
726.45221	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	727.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08136	0.9
57.44300	0.9
59.01382	2.3
68.57874	1.1
69.25896	9.0
71.01385	12.2
72.99319	2.1
83.01436	1.0
89.02460	1.0
95.67181	1.1
109.02962	1.7
115.00374	30.9
119.05029	21.5
120.05411	1.6
122.22629	0.9
133.01431	100.0
133.02876	7.8
134.01802	1.4
134.03610	0.9
135.04486	1.0
163.00444	2.0
163.04010	30.1
165.01888	1.2
167.19336	1.4
175.03983	2.6
177.01971	1.4
193.01451	1.3
241.05084	1.4
270.05280	1.3
279.05075	4.3
284.03253	4.9
285.04001	9.9
297.04007	15.7
298.04721	10.2
299.05484	7.1
311.05688	2.5
322.67780	1.1
325.03696	1.1
327.05075	43.5
328.05481	3.6
339.05017	6.1
357.06119	31.0
358.06445	2.9
369.05945	1.6
377.28033	1.1
429.08047	5.2
447.09290	83.3
448.09613	6.9
496.73615	1.2
646.28754	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4474
Annotation	Trungapeptin C
Peak:m/z	Relative Intensity
55.17175	0.4
57.03452	0.6
58.00592	0.5
59.01382	4.0
61.98835	2.5
69.84203	1.7
71.01379	4.2
73.02952	0.6
75.00463	0.4
80.96546	0.4
83.05009	0.7
85.02956	1.2
87.00888	1.1
89.02438	2.8
90.21873	0.5
91.31349	0.4
97.06559	0.7
98.19992	0.5
101.02438	3.7
111.08176	1.4
113.02449	2.2
119.03499	0.9
143.03435	0.4
145.05090	0.9
150.85394	0.4
160.53877	0.4
161.04532	1.5
165.12854	8.4
183.13896	61.4
184.14261	2.4
209.11855	3.9
227.12872	3.9
235.08337	2.1
249.02245	0.4
253.09270	4.1
279.23276	100.0
280.23608	8.5
305.11264	0.4
334.34583	0.4
336.65448	0.5
357.79474	0.4
445.20920	2.2
446.21283	0.5
463.21725	2.4
567.14996	0.4
725.44781	72.0
726.45190	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	725.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40159	0.8
55.01869	0.9
57.03435	2.5
58.00583	1.6
59.01377	54.3
60.01699	1.2
61.98830	11.4
65.73877	0.8
65.97030	0.7
69.03457	1.6
71.01379	29.4
71.05270	0.8
71.05570	0.9
72.99306	3.6
73.02946	7.7
75.00871	20.5
77.30400	0.9
83.01385	4.3
85.02948	9.9
87.00861	5.7
88.98810	0.7
89.02441	8.4
92.20217	0.8
95.01386	1.6
96.14572	0.8
96.95972	2.1
97.02957	1.2
99.00864	2.4
99.04502	1.6
101.02439	14.1
102.05604	0.9
111.00879	1.6
112.04169	0.8
112.30267	0.8
113.02443	8.5
119.03487	2.2
123.04524	1.0
124.01739	0.8
125.02422	2.9
134.03737	0.8
135.04541	2.0
143.03542	1.1
161.04593	2.0
171.41122	0.8
174.01633	0.9
209.37404	0.7
293.03629	0.8
295.22980	1.1
313.23798	3.3
323.25894	1.0
341.26990	8.2
359.27991	18.8
360.28079	1.5
503.32349	15.7
504.32440	2.5
521.33264	61.4
522.33533	9.8
545.33142	1.5
563.34332	14.1
564.35114	1.0
646.35052	0.8
665.37866	9.8
666.38367	1.8
681.36017	15.2
682.35571	2.6
683.38568	10.8
684.38837	1.7
725.39624	100.0
726.27191	1.2
726.39935	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.8
56.64461	0.4
57.03447	2.0
58.00591	0.8
59.01379	30.4
60.01694	0.5
61.98831	4.9
69.03435	1.3
71.01382	19.2
71.50629	0.4
72.01717	0.4
72.99301	2.9
73.02943	5.8
75.00871	20.2
76.83804	0.4
81.03478	0.6
83.01385	2.8
85.02953	6.9
87.00873	3.8
89.02436	7.0
95.01385	2.0
96.95998	1.6
97.02927	0.8
99.00873	1.4
101.02435	11.1
102.38548	0.4
111.00861	0.6
112.01633	0.9
113.02454	5.5
115.00367	0.4
116.92887	0.5
119.03506	1.7
124.01674	0.9
125.02438	2.1
125.09727	0.5
135.04500	0.5
143.03477	0.6
161.04530	0.8
227.12463	0.5
295.22787	0.6
313.23822	2.5
323.25586	1.0
341.26971	6.7
342.27374	0.5
357.26443	0.6
359.28015	8.6
360.28320	1.1
477.30356	0.5
485.30975	0.9
503.32147	8.3
504.32111	0.8
520.32092	0.5
521.33185	12.4
522.33594	1.9
563.34155	2.5
647.38464	0.5
665.37677	12.4
666.38000	2.3
681.41284	15.2
682.41327	2.7
683.38617	10.3
684.39044	1.6
725.39636	100.0
726.39911	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
61.18925	1.0
61.98828	5.9
70.05543	3.8
71.01376	3.8
91.32894	1.1
95.95126	1.1
96.95986	6.7
96.96908	1.1
98.95574	2.0
99.00907	1.0
99.92583	100.0
100.92590	5.7
100.93292	2.6
103.05527	1.3
114.06471	1.3
115.92076	65.7
116.92854	60.9
117.92816	1.9
130.04210	2.5
132.92255	1.5
133.02934	1.2
141.93634	7.3
142.94417	4.3
143.95203	1.1
147.04514	4.7
148.07228	1.0
149.06059	1.4
152.99507	1.8
159.04509	22.0
160.04779	2.8
161.02420	3.9
169.93123	9.4
170.93979	5.3
173.02370	9.9
175.04041	1.2
180.71397	1.2
200.96556	1.6
203.03490	13.4
224.94995	2.4
227.12842	2.4
228.13156	2.2
229.14465	2.1
230.97426	1.6
231.94717	1.2
240.16281	1.1
240.95969	2.0
241.96791	5.9
242.97493	9.7
248.94994	1.9
256.95377	3.4
257.96057	3.0
258.97021	1.7
262.96362	1.8
270.54657	1.3
277.21686	7.3
278.22043	2.0
279.22696	1.6
286.96466	3.2
300.94437	1.3
302.95956	1.9
444.47733	1.2
447.14694	2.6
503.17505	12.6
504.18292	7.6
509.76617	1.4
517.15411	1.6
521.17889	1.9
522.19250	6.7
523.19757	1.5
535.18164	1.6
689.20258	11.6
690.20123	2.6
707.21765	6.0
725.22607	40.7
726.22827	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	723.4323
Annotation	Trungapeptin B
Peak:m/z	Relative Intensity
53.52422	0.8
59.01377	7.0
70.05776	1.8
70.06169	1.8
71.01388	5.0
73.02946	1.2
76.91351	0.7
83.01379	1.1
85.02944	1.7
87.00846	1.8
89.02433	2.5
98.20000	1.0
101.02459	3.7
108.20749	0.8
111.08158	2.1
113.02431	3.1
119.03499	1.1
132.72569	0.8
138.11952	0.7
161.04558	1.5
165.12856	9.7
183.13898	79.2
184.14279	4.7
195.18005	0.8
209.11812	3.8
227.12927	4.5
235.08206	2.7
253.09267	5.9
277.21713	100.0
278.22061	9.2
445.20767	2.1
463.21741	3.0
544.27344	0.8
593.96265	0.8
723.43213	71.6
724.43555	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	724.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28136	0.3
58.48932	0.3
59.01369	3.2
61.98829	100.0
66.64368	0.3
74.98174	0.3
75.65178	0.3
77.68696	0.3
88.83075	0.3
91.58621	0.4
98.19941	0.7
171.17458	0.3
173.74954	0.3
181.96692	0.3
184.46677	0.3
211.13327	0.6
219.25574	0.4
230.04385	0.3
293.21304	0.7
324.35181	0.4
337.13849	0.3
723.06647	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	6.2
66.65908	1.0
70.65237	1.3
70.65604	2.8
71.01376	4.4
85.02940	2.0
89.02431	1.2
93.03434	1.3
100.88110	1.0
115.00330	3.3
117.03472	2.4
120.85603	1.1
125.23159	1.0
132.64429	0.9
133.01335	2.4
133.02971	1.2
134.03726	8.7
135.04475	2.1
137.02473	1.6
137.40875	0.9
147.04500	1.4
149.02400	2.8
159.04482	1.1
161.02406	2.5
163.00381	2.7
163.03972	2.4
175.00206	1.2
175.03943	1.8
177.01877	2.1
178.02591	1.3
179.03528	1.8
191.03882	1.6
191.05602	8.6
193.05058	13.3
203.03522	2.2
211.03902	1.7
221.04448	1.3
223.06123	2.4
227.03467	1.5
228.04002	1.6
235.11885	1.1
239.03575	2.2
240.03983	1.8
255.03076	2.0
256.03482	4.3
257.04178	1.7
267.02850	3.0
267.06219	1.0
268.03409	2.1
282.05249	3.6
283.02478	2.9
283.06003	4.5
284.02966	3.4
285.03714	3.0
295.06094	10.9
296.06842	31.4
297.07419	7.5
307.06174	2.0
311.05499	2.7
312.02737	15.0
313.03134	17.9
314.03552	4.4
323.05511	8.8
324.05914	1.6
325.07141	2.9
328.05841	3.6
335.05597	1.3
337.07199	1.7
353.06586	13.0
354.07205	2.0
365.06439	3.6
383.07806	10.6
395.07510	2.1
413.08649	2.2
417.37411	1.2
443.09756	1.6
473.10739	2.5
515.11768	14.3
545.12769	9.1
546.13599	1.2
563.14105	8.4
564.14398	1.8
605.15558	5.0
621.14294	8.0
621.63629	1.2
622.14880	32.2
623.14734	3.4
635.16223	2.9
725.19360	100.0
726.19653	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	723.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30568	1.2
59.01384	27.9
61.98845	9.3
62.39700	1.2
64.57423	1.2
71.01382	11.1
71.49805	1.5
72.99306	1.4
73.02954	3.9
83.01371	2.4
83.04996	1.4
85.02929	4.3
89.02457	4.0
98.39973	1.3
101.02441	5.4
113.02444	4.9
119.03530	1.7
146.22388	1.3
190.16516	1.4
194.72095	1.5
199.40813	1.5
209.05772	1.2
278.43390	1.2
457.33289	2.2
558.42633	1.4
581.37213	2.3
601.37598	2.6
619.38361	10.5
637.39465	5.1
679.40668	100.0
680.40833	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	723.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01902	0.8
59.01382	6.6
69.50402	4.0
71.01395	4.1
73.02933	1.4
78.91674	0.6
85.02928	0.9
89.02430	2.9
98.20567	1.1
101.02462	4.1
111.08192	1.1
113.02466	1.8
119.03508	0.9
156.53844	0.6
161.04623	1.2
165.12866	6.7
183.13911	100.0
184.14238	5.3
204.41251	0.6
209.11876	2.4
227.12875	4.6
235.08171	2.2
253.09270	4.2
277.21732	32.1
278.22104	2.9
286.57053	0.6
347.53271	0.7
445.20706	1.4
463.21939	3.9
656.80347	0.7
723.43250	45.0
724.43689	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	723.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.4
57.03436	3.6
59.01378	21.6
68.99802	1.7
69.03455	1.1
69.59532	5.6
71.01376	28.1
72.99304	5.5
73.02938	5.4
75.00871	12.9
75.05455	0.8
75.69860	0.9
83.01366	2.2
84.02155	0.9
85.02948	19.8
87.00863	5.7
89.02448	6.6
93.03461	1.2
95.01382	6.0
96.96007	1.3
97.02930	1.1
99.00887	10.3
99.04564	1.0
101.02436	8.0
103.00385	2.3
105.05550	1.4
111.00880	1.2
113.02442	19.3
113.03175	1.8
114.98517	0.9
115.00351	2.6
115.03294	0.9
117.01973	1.2
119.03497	1.0
129.01917	1.9
130.91960	0.9
133.02831	1.3
135.04515	1.1
135.11778	3.9
157.01384	1.0
159.08089	1.7
161.04527	2.2
161.09729	12.6
165.15732	1.1
175.02466	1.3
177.01982	1.2
179.03503	1.1
179.10788	12.1
181.12334	2.0
189.03922	1.1
191.05742	1.1
197.04921	1.0
205.07030	1.4
215.35669	1.0
249.06075	9.1
267.07138	2.6
267.10812	1.9
283.11697	1.4
303.34595	1.0
413.18655	2.4
455.15747	1.8
475.18097	5.6
494.88098	1.0
705.25677	1.2
723.27167	100.0
724.27667	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	723.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04723	0.6
54.42672	0.5
57.03440	3.3
59.01368	1.7
65.36845	0.5
67.01882	1.8
70.79128	1.7
71.01395	3.4
72.63311	0.6
72.99302	1.0
73.02937	1.1
81.03430	0.9
83.01372	1.2
83.05035	0.9
85.02945	19.0
86.03259	0.6
87.00887	4.4
93.03452	14.7
94.03785	0.8
94.74788	0.7
101.02406	1.0
105.03464	1.1
107.01381	0.8
107.04989	0.6
107.87288	0.5
109.02956	2.6
110.67934	0.5
111.00867	4.7
111.04507	2.6
115.00357	1.9
119.04996	1.4
121.02924	0.9
123.04499	2.3
124.01647	1.4
125.02437	4.0
127.04015	2.2
129.01955	6.4
133.01393	2.0
133.02940	11.6
135.04503	2.5
137.02420	5.0
138.56052	0.5
151.00319	3.4
151.04030	1.1
161.02480	3.3
163.00288	0.9
163.04025	1.4
165.01903	1.9
169.01334	1.3
173.04533	10.4
173.06004	0.5
174.04889	0.8
175.02470	0.8
177.01947	5.0
179.03519	1.3
181.01422	0.7
183.02922	1.5
187.02597	0.9
191.05597	100.0
192.05917	3.7
195.02956	2.6
205.03502	6.6
215.05603	2.6
223.04558	16.8
255.02988	1.1
259.18066	0.7
271.02173	1.0
271.04678	2.2
283.02429	3.0
289.07208	1.9
311.02182	2.8
311.09283	0.9
312.02692	1.0
313.03552	1.7
328.02209	0.8
339.01389	3.3
351.07104	8.0
352.46133	0.6
353.08722	11.7
354.09189	1.3
369.08212	18.1
369.17715	0.7
370.08685	1.4
433.07410	0.8
473.07196	0.9
473.13785	0.8
543.07996	0.9
561.08588	4.0
571.11627	0.8
577.14099	0.7
603.09882	0.7
621.15149	0.7
723.17328	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	723.177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	5.7
61.54208	0.8
66.10563	0.7
67.01878	1.0
71.01376	6.0
72.99292	1.0
81.03463	1.1
85.02934	5.9
89.02406	0.9
89.03983	1.1
93.03450	2.1
94.33216	0.8
95.01386	1.1
96.95994	1.2
98.19906	3.9
100.12149	0.9
105.03436	2.8
109.02970	4.5
111.00892	2.6
115.00367	12.1
116.92826	1.1
121.02948	3.3
123.00868	4.8
123.04499	3.2
124.01661	50.9
125.02457	6.8
129.01927	2.1
130.04216	1.5
133.01430	29.7
133.02921	12.9
135.04533	11.3
136.04874	1.0
137.02441	90.9
138.02788	3.5
147.04588	1.2
149.02448	5.5
150.03239	6.8
151.03998	18.6
152.04381	1.1
159.04515	7.4
161.02414	1.8
162.03226	4.5
163.03969	7.0
165.05452	1.5
169.98488	1.0
171.04515	3.5
173.06000	1.9
176.01031	1.5
177.01924	100.0
178.02248	6.3
179.03581	7.4
189.01920	1.3
190.02698	11.4
191.03903	1.5
191.05595	12.7
194.02202	2.4
199.03958	2.9
205.03548	2.5
211.04012	1.2
213.05583	1.5
222.01617	1.3
223.04507	4.2
234.01595	1.9
243.02890	2.2
251.07144	1.6
275.07062	2.2
278.05869	1.5
281.04565	1.3
282.05264	2.2
283.02393	2.4
283.06104	6.9
291.06781	1.0
293.08215	11.1
294.08609	1.3
310.08395	3.7
311.02069	2.0
311.09283	16.4
312.02591	1.2
312.09512	1.2
318.33115	1.1
337.07156	19.4
338.07672	1.6
339.01355	2.6
339.07193	3.3
353.08667	2.0
355.08215	2.2
369.08383	1.9
381.06137	30.4
382.06613	2.9
428.14648	2.2
444.10464	1.1
445.10852	1.8
473.14560	6.0
474.15036	1.5
499.12238	6.1
517.13770	6.0
543.11444	62.2
544.11896	9.3
561.08856	2.5
562.08917	1.1
621.14087	1.9
706.17004	1.1
723.17822	25.3
724.18091	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	723.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90336	1.6
59.01372	3.4
65.00363	1.9
71.01382	3.2
73.02925	2.1
75.00854	3.4
82.48237	1.7
109.02940	2.4
124.01638	5.0
126.39797	1.6
129.09251	1.5
133.01425	2.1
133.02945	2.8
135.02971	6.7
137.02411	10.4
146.62906	1.8
148.01595	2.0
149.02429	3.1
151.00356	3.7
151.04112	2.0
161.02475	2.0
163.00391	10.6
163.03979	5.1
165.01903	2.9
171.04601	1.8
175.00360	7.8
176.01109	4.0
177.01808	2.0
178.99911	2.9
179.03409	1.9
183.04544	2.3
186.03185	1.8
189.01964	2.2
189.99036	5.0
190.99864	5.5
192.00630	4.3
193.01349	2.4
194.24371	1.5
198.03090	2.4
199.03915	2.9
202.99892	4.0
205.01422	2.1
211.04002	9.1
212.04492	2.1
215.03496	3.5
220.00085	2.4
226.02693	4.5
227.03520	13.4
228.04063	3.6
233.00839	7.2
237.02000	2.2
238.02679	3.0
239.03473	6.5
241.04968	2.3
242.02147	3.4
243.03029	4.6
254.02075	5.1
255.03033	15.7
256.03665	6.3
257.04556	3.3
265.01431	2.9
266.02249	3.4
267.02942	7.4
268.03574	2.9
270.01633	3.4
271.02530	19.6
281.00854	5.2
282.01685	5.1
283.02460	89.2
284.02853	14.0
285.03885	6.0
286.04309	1.7
293.00897	4.0
293.08032	2.0
294.01624	5.3
295.02377	6.9
298.01025	2.0
299.01871	3.4
300.02823	10.9
301.03345	3.9
310.01163	9.2
310.08356	2.1
311.01953	64.7
312.02557	18.5
313.03580	12.3
314.04013	3.5
321.00354	6.7
326.00662	5.2
327.01273	4.0
328.02124	20.2
329.02835	3.7
339.01425	84.5
340.01923	13.3
353.08698	3.5
355.00708	2.0
356.01715	20.9
357.02505	10.6
425.07336	6.6
455.08383	2.8
505.10031	9.4
517.09753	16.7
518.09619	3.3
531.07391	9.3
533.09253	26.1
534.09851	4.0
543.07727	39.8
544.07953	7.1
545.09717	4.5
559.07111	10.4
561.08759	100.0
562.09033	16.2
575.10217	3.6
591.09802	2.1
643.08917	3.5
652.09412	1.7
723.17682	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	722.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37384	0.5
59.01385	2.6
61.98835	25.8
71.01383	0.9
71.06724	0.9
71.07076	0.8
73.02947	2.1
75.00896	1.0
87.62701	0.5
88.45304	0.5
101.02441	0.5
116.92858	0.9
154.57628	0.6
163.11346	0.7
207.10255	1.9
209.11841	4.3
220.91344	0.6
225.11307	6.4
226.11678	1.6
227.12889	1.6
236.89111	0.6
253.09296	1.0
277.21725	7.1
278.22028	1.0
287.16571	0.5
441.19513	1.6
443.19110	0.8
461.20187	1.0
465.19308	2.2
467.20987	0.6
469.22577	2.3
470.22937	0.8
479.20789	1.3
481.14975	0.9
482.18277	0.6
486.19373	1.0
496.17499	3.1
497.18146	2.1
507.20450	1.7
509.18225	2.0
511.19815	1.6
512.16974	8.4
513.17218	2.8
514.18243	1.2
515.17261	0.9
523.19861	1.0
524.20831	1.4
525.21606	0.9
528.16095	3.7
535.16278	0.6
536.17340	3.2
551.19183	2.6
555.18964	8.5
556.19293	2.7
585.20020	1.6
588.19971	1.1
627.21466	2.8
630.20978	0.7
659.23645	100.0
660.23901	23.8
661.23523	1.5
662.23981	5.7
721.42999	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	15.9
61.98830	44.1
70.09811	8.5
70.10196	5.7
70.94981	3.0
71.01357	7.9
75.00867	14.3
78.90096	3.6
86.97550	3.2
98.20066	5.7
101.02438	4.0
103.00368	11.1
114.05586	7.9
125.02414	4.4
140.21002	3.2
141.32584	3.9
144.11229	3.3
211.13379	6.6
244.47220	3.2
277.21765	7.5
379.65256	3.4
397.13730	5.4
453.15952	4.6
455.17154	8.2
468.18027	9.9
469.18515	6.5
473.18069	5.2
483.20386	20.7
484.20645	9.9
488.16833	5.7
496.17508	18.5
500.16968	14.6
501.17746	7.8
511.20264	29.3
512.20496	7.4
513.20477	5.9
514.20734	4.9
525.17059	3.7
526.14880	11.3
527.15326	9.3
528.16382	11.4
529.16003	4.6
544.19879	4.1
555.18707	12.3
583.18359	7.6
587.21381	15.7
588.21887	4.2
599.17932	19.0
600.17755	8.1
615.20874	34.1
616.21234	9.1
627.17444	13.6
659.20038	100.0
660.00482	4.3
660.20398	26.6
662.20172	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	721.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62215	2.3
59.01385	37.5
61.98827	21.3
70.86727	2.3
71.01392	31.3
71.53798	2.4
73.02942	5.0
78.87831	2.1
79.33991	2.9
83.01402	5.3
85.02966	5.9
87.00887	8.6
89.02464	25.3
97.02956	4.1
98.20688	5.2
101.02451	22.5
113.02462	11.6
119.03503	9.5
125.02472	12.0
143.03542	4.1
161.04607	5.2
179.05545	4.8
182.93411	2.4
211.15793	2.4
221.06645	2.5
231.47916	2.2
235.08247	11.5
253.09250	2.8
255.23201	3.6
255.72098	2.1
263.20151	62.4
264.20618	7.4
287.07953	2.9
305.08713	4.0
305.94824	2.6
322.84570	3.0
397.13495	100.0
398.13797	9.0
415.14658	26.5
473.22784	2.6
501.01544	2.7
516.75598	2.7
666.48602	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	720.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.9
59.49980	0.1
59.50288	0.1
61.98829	100.0
65.02289	0.1
71.49562	0.1
75.38416	0.1
79.95734	0.2
98.19906	0.3
113.86491	0.1
129.71257	0.1
142.23737	0.1
151.29945	0.1
255.23218	0.1
564.27209	0.4
602.21796	0.3
660.21796	0.2
720.22125	2.2
721.21973	0.5
730.47247	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00846	0.1
59.01379	2.1
60.01708	0.2
61.98828	100.0
62.98539	0.1
111.37949	0.1
120.14597	0.1
123.98534	0.1
129.01645	0.1
192.61609	0.1
203.50447	0.1
229.37286	0.1
299.91061	0.1
498.14355	0.2
499.13980	0.2
500.14835	0.1
513.15619	0.2
514.16504	0.1
551.99176	0.1
570.19171	0.2
573.18658	0.1
574.18701	0.2
601.20648	0.2
602.21875	0.7
660.22485	0.4
719.24866	0.1
720.23254	3.0
721.22852	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07714	1.6
57.03434	4.7
58.00592	3.0
59.01390	15.1
69.03442	2.2
70.25503	3.4
70.25890	3.5
71.01372	7.8
73.02950	6.3
75.34896	1.5
81.03475	2.2
83.01393	1.4
83.05041	2.4
85.02934	9.2
87.04517	29.1
93.03465	4.1
96.96031	8.6
97.02938	4.4
98.19979	2.1
99.04565	1.5
99.58437	1.5
101.02438	8.3
108.44489	1.3
111.04508	1.8
111.08130	3.4
113.02440	5.3
116.92847	3.1
118.80402	1.4
121.02952	9.2
122.03765	10.1
123.04549	4.2
125.02420	4.9
125.06087	1.9
133.02838	1.7
135.04594	2.3
135.08153	4.6
137.09715	23.6
139.07625	3.5
139.11272	2.4
141.09270	2.1
149.02446	61.1
149.09789	2.4
150.03236	91.6
151.03914	5.5
151.11266	3.1
155.10785	100.0
156.11121	5.0
163.11282	2.9
164.04840	10.0
165.05568	81.4
166.06262	7.7
167.07187	7.3
167.10762	4.2
169.12315	6.7
177.09247	2.7
179.07108	2.2
179.10823	12.0
180.04283	4.5
181.05043	1.9
181.08717	14.2
191.05627	4.2
191.10762	6.7
193.12299	3.5
195.06624	69.9
195.10301	7.3
196.06950	3.4
197.11790	2.1
199.09753	96.6
200.10097	5.9
213.11420	3.6
223.09756	4.4
225.11313	2.2
241.10809	28.7
242.11142	2.1
249.06639	2.0
253.10770	9.8
255.12366	6.2
265.15366	1.7
283.08945	3.1
283.11890	53.0
284.12180	2.7
314.11615	21.2
316.63898	1.7
329.13959	55.3
330.14297	4.7
343.13950	39.1
344.14197	4.2
363.14624	2.0
377.16211	10.1
539.21246	3.6
611.05634	1.6
624.12872	1.9
693.67480	1.9
721.30853	65.4
722.30823	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	719.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09445	1.3
57.03432	4.7
58.00583	1.5
59.01376	21.6
59.72938	1.1
61.98826	2.7
63.62422	1.3
65.02866	1.3
66.80310	1.2
69.03437	1.5
70.44626	2.7
70.44984	2.9
71.01376	9.0
72.99306	1.7
73.02940	10.0
83.05009	2.9
85.02946	8.6
87.04506	30.6
89.02462	2.4
93.03432	3.5
94.55582	1.3
95.01388	1.6
95.05003	1.5
96.96002	15.2
97.02929	5.1
97.06544	2.5
98.19928	1.5
99.04533	1.7
101.02432	9.4
109.02998	1.5
111.04526	2.0
111.08101	2.3
113.02428	2.4
121.02943	9.3
122.03758	6.9
123.04471	2.0
123.08075	2.0
125.02407	2.8
125.06076	2.1
135.08148	4.3
136.01695	2.7
137.09712	22.7
139.07642	4.9
139.11247	1.7
141.09245	1.4
146.03729	16.6
147.04443	4.3
149.02432	74.0
149.09694	2.5
150.03223	50.5
151.03850	4.6
151.11270	4.3
153.09190	1.6
155.10771	100.0
156.11072	3.5
161.06023	4.5
161.09808	1.4
162.03261	1.3
163.11247	3.2
164.04771	25.6
165.05554	54.9
165.09273	1.6
166.06004	1.3
167.10760	2.2
169.12320	5.1
177.09047	1.8
179.07123	18.2
179.10727	10.9
180.04286	3.5
180.07562	2.3
181.05104	2.0
181.08655	11.9
191.09244	1.3
191.10741	6.5
193.12292	1.6
195.06609	33.8
195.10242	5.6
199.09741	99.1
200.10109	4.8
213.11307	4.9
221.32915	1.3
223.09734	2.9
225.11404	2.2
225.41100	1.3
237.11365	2.9
241.10793	30.2
249.52667	1.3
251.07346	1.3
253.10800	8.9
255.12340	7.3
258.82584	1.5
272.10806	1.3
272.86780	1.2
283.11871	54.7
284.12189	3.0
297.07523	2.9
302.93542	1.4
312.10022	26.3
313.10587	3.2
314.11536	3.1
327.12341	86.2
328.12720	8.2
329.13776	6.6
343.10120	2.5
343.13959	36.1
344.14163	3.5
361.12918	1.8
375.14355	4.5
377.16339	1.4
487.15399	1.4
539.21252	14.3
590.09509	1.4
719.29114	45.8
720.29517	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	719.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	4.2
59.01380	17.0
61.98818	3.5
69.03430	3.7
69.75328	7.8
71.01384	10.6
72.99310	2.4
73.02944	100.0
85.02943	8.4
87.00856	2.0
87.04512	15.1
89.02425	2.1
94.75201	1.4
95.05009	4.1
96.96022	15.3
97.02926	6.5
97.05989	2.1
97.06590	36.6
99.04503	1.9
101.02420	5.2
108.02132	2.2
109.02948	4.2
109.06568	2.4
111.04507	4.5
111.08125	1.7
113.02441	5.1
115.03994	2.6
119.03534	2.1
121.02927	5.4
121.06590	12.1
123.04527	25.1
123.86314	1.3
125.02401	2.3
128.03558	1.7
133.01419	2.1
135.04500	3.7
135.08163	3.6
136.01662	4.0
137.09695	5.1
139.07648	7.2
141.05568	30.4
145.02957	2.5
147.04460	4.1
149.06064	1.6
149.09679	1.6
151.03981	5.2
153.05548	2.2
153.09190	6.1
155.10770	24.1
159.04552	2.5
161.04663	2.0
161.06015	2.3
163.07622	1.7
165.05525	5.0
171.10204	1.9
177.09286	2.2
179.10667	2.9
181.08652	2.1
183.06589	2.9
184.73959	1.5
191.07133	2.0
195.10439	1.6
197.08119	2.0
199.09732	17.7
213.11134	1.7
215.09242	10.5
221.08127	2.1
221.52586	1.6
238.06158	2.1
240.04221	1.5
241.10725	4.9
251.06920	2.6
253.10866	1.9
255.10294	1.8
267.06607	6.7
267.10068	1.4
269.08157	30.2
271.09717	2.1
279.06592	2.8
281.08151	3.8
282.08850	5.8
283.09158	10.8
283.11911	7.7
285.09683	1.9
296.10394	2.5
297.11432	9.1
298.11871	1.9
299.09009	19.1
300.09619	2.0
311.09213	24.3
312.09744	4.7
313.10861	2.6
314.08063	3.2
314.11575	40.3
315.12137	5.7
325.10645	4.5
326.11615	27.3
327.12390	14.6
328.12689	1.6
329.13928	93.8
330.14087	7.1
341.13916	55.2
342.14233	5.0
343.13986	6.1
345.13531	4.1
357.13297	4.6
359.13528	18.9
369.52179	1.7
513.26898	2.3
533.29517	3.4
595.23230	2.4
633.35950	2.1
701.27765	9.7
719.29053	82.5
720.29303	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	719.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	18.4
61.98828	4.6
71.49276	1.2
96.00384	1.3
98.09554	1.1
100.22533	1.0
102.98152	1.2
148.52110	1.1
337.25238	1.1
368.67432	1.3
415.42688	1.4
427.17731	1.5
441.19351	12.0
442.19604	1.6
443.21024	9.5
444.20584	1.5
459.20566	2.1
460.17508	3.2
469.19150	1.8
471.20645	5.4
482.15808	3.1
483.12787	1.3
488.17194	1.8
497.18652	6.6
498.15265	18.0
499.15588	4.1
512.17017	15.1
513.17755	14.0
514.14545	2.6
541.20679	1.2
569.20538	3.6
583.21924	4.3
583.93274	1.1
585.22510	3.5
586.20093	1.8
600.22314	100.0
601.22754	34.6
602.23389	2.4
615.24249	2.3
631.24158	6.1
632.21326	14.7
633.21460	3.3
659.23682	11.3
660.23541	2.3
719.25891	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	719.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45748	3.8
59.01380	10.4
69.32580	32.2
69.32968	9.2
71.01379	4.6
89.02455	11.4
89.85800	4.5
100.30885	4.1
101.02435	6.1
113.02431	5.9
176.13730	4.1
179.05676	5.4
207.52197	4.9
215.03246	5.8
325.16629	4.9
341.10837	26.0
363.92569	4.4
377.08560	100.0
378.08902	4.6
488.13385	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	719.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	4.8
57.84066	4.3
59.01379	42.3
61.98830	70.3
64.75808	4.3
67.66114	3.9
71.01379	13.3
71.51382	7.1
85.02982	5.7
101.02457	10.5
108.04556	9.5
108.08197	9.7
113.02464	6.8
114.98283	4.4
122.06136	10.0
136.03979	6.3
150.05579	27.6
184.05327	9.4
191.05669	5.2
201.01924	15.9
201.06566	5.3
205.67439	4.4
213.06760	4.5
229.13567	4.2
231.93701	4.4
241.06123	5.3
241.13438	7.7
257.12970	9.5
269.05673	21.5
281.05670	12.7
281.12997	6.0
282.06314	10.8
285.05093	6.7
299.13959	29.1
309.05176	6.9
310.05975	7.6
311.06821	46.4
323.06723	52.0
324.07092	7.8
388.12543	4.7
389.13965	8.7
390.14664	6.8
402.14542	9.6
421.63339	5.1
551.19501	12.8
568.19720	9.7
569.20258	12.8
583.22229	6.8
593.20331	10.3
611.21490	100.0
612.21729	17.7
624.54175	4.5
643.24890	6.6
687.22705	10.7
719.26196	10.0
719.42169	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	718.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.71100	0.2
61.98829	100.0
64.28405	0.2
69.18140	1.5
82.40828	0.2
98.20601	0.4
110.05045	0.2
174.03235	0.5
189.05602	0.3
233.04640	0.6
330.88150	0.2
397.13318	0.2
718.38391	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12710	0.5
55.01880	0.9
57.03447	0.4
59.01379	100.0
60.01710	1.0
63.22075	0.5
71.01379	9.3
73.02954	3.5
80.58089	0.4
83.01384	1.1
85.02959	6.2
87.00864	0.7
89.02460	0.8
91.37553	0.4
93.03463	1.7
96.96033	0.5
98.72765	0.4
99.00880	0.9
101.02443	7.2
108.70471	0.5
109.02959	0.6
113.02447	4.5
115.00388	1.4
117.03481	3.0
119.04980	0.5
121.02943	1.5
133.01436	1.7
135.04488	0.8
145.02968	1.5
147.04472	0.9
149.06061	0.7
159.03062	0.8
161.02452	0.8
161.04550	4.1
163.04074	0.9
173.02481	2.0
173.04649	1.1
173.06119	1.3
179.03499	0.5
191.05618	15.7
192.06029	0.6
201.01935	69.8
202.02322	3.1
267.06741	2.4
269.10303	12.1
270.10565	0.7
295.09717	1.3
311.11353	4.5
321.07779	1.1
423.28503	0.5
449.59766	0.5
452.27911	0.6
527.12079	0.7
545.13013	1.3
614.51215	0.5
719.18427	2.5
720.18524	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64228	1.2
59.01379	30.4
61.98820	3.8
70.05465	4.3
74.69997	1.2
139.69582	1.6
225.48734	1.5
231.62286	1.4
241.22670	1.5
280.69620	1.5
282.32706	1.3
287.02798	1.6
299.90381	1.6
431.11240	1.3
481.11209	6.7
495.13284	1.9
496.13733	9.4
497.14584	8.2
498.15222	1.7
511.16229	100.0
512.16431	25.0
546.68433	1.6
555.15405	4.3
556.15613	4.8
567.18115	1.8
569.16418	1.9
570.17590	70.5
571.18127	37.3
572.18512	5.1
603.16760	1.8
625.19287	14.0
626.20001	2.9
643.19861	1.7
657.22021	23.1
658.22418	7.6
717.24109	94.9
718.24463	27.3
749.62122	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	717.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81456	0.6
59.01384	100.0
60.01719	0.8
61.98833	29.0
63.04597	0.6
151.91019	0.7
163.45216	0.6
438.09561	1.4
441.15808	1.6
453.11679	1.6
454.11969	1.0
456.18481	1.0
457.18716	1.9
459.16870	1.6
467.13828	1.7
480.15182	0.8
481.11716	2.8
495.17343	1.7
496.13916	15.9
497.14346	10.4
498.14963	3.7
509.14600	1.2
510.15582	4.6
511.16080	9.0
512.16888	4.5
513.17798	5.6
514.18103	1.1
530.14221	1.0
539.20087	3.2
540.18042	0.7
542.14648	0.7
544.16107	6.1
545.15997	1.1
553.17053	1.0
567.18890	9.6
568.18872	2.7
570.17584	2.4
571.18286	12.9
572.18567	3.3
583.18231	1.2
589.19598	1.5
597.19495	2.1
598.20923	4.2
599.21545	34.5
600.21741	8.8
602.16931	3.1
603.16724	1.0
614.20148	1.0
625.19373	1.3
630.19373	1.5
631.20184	1.1
643.20331	1.3
657.22058	15.5
658.22070	4.8
717.24176	75.0
718.24487	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	716.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.9
61.98833	100.0
62.98543	0.1
71.01377	0.1
71.18497	0.1
92.21127	0.1
99.89596	0.1
126.40520	0.1
140.76923	0.1
184.09654	0.1
235.50101	0.1
256.23560	0.2
339.24411	0.1
398.14017	0.2
399.14108	0.2
496.13873	0.4
510.23102	0.1
599.21631	0.7
625.19714	0.1
657.22388	0.3
717.24182	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	717.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58209	1.0
59.01378	100.0
60.01691	2.0
61.98818	3.5
75.22331	1.0
118.37468	1.2
156.06589	1.1
196.20471	0.9
205.37613	1.2
312.13770	1.4
453.11838	2.3
467.13812	1.7
478.16135	1.3
481.11459	3.5
496.13876	15.7
497.14499	6.4
510.15167	5.8
511.16000	9.3
512.16705	3.8
513.17865	4.0
523.16211	1.3
538.14349	1.8
539.19513	2.2
544.15808	3.6
552.56561	1.1
567.19012	11.1
568.19757	2.3
570.18311	1.7
571.18359	7.5
572.18719	2.6
583.18494	1.5
597.19946	1.4
598.20630	2.5
599.21533	34.5
600.21423	7.6
602.16382	2.7
625.19818	3.1
630.19995	1.5
643.20758	1.7
657.22083	18.7
658.21881	5.3
717.24139	89.9
718.24292	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72739	0.7
52.50400	0.7
59.01365	1.5
60.99008	1.3
60.99305	19.1
61.98819	1.4
70.72725	1.8
88.98804	100.0
89.99158	0.9
113.50057	0.6
127.96346	0.8
130.04201	1.3
146.66449	0.8
159.04527	6.6
160.04828	0.8
203.03497	8.4
204.03709	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.427
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91338	1.1
55.01903	1.5
56.02346	1.1
57.03437	2.9
59.01384	7.6
61.98815	2.3
70.15134	4.4
71.01369	13.2
72.99303	4.3
75.00874	12.2
85.02551	1.1
85.02962	14.3
87.00872	6.1
89.02452	2.1
95.01401	2.7
99.00891	8.6
105.96706	1.1
113.02454	12.9
115.00364	2.0
117.01928	1.2
139.00392	1.1
147.33992	1.2
165.12810	5.9
168.20863	1.1
175.02435	1.9
183.13896	43.7
184.14253	1.5
195.66899	1.3
227.12939	2.9
255.23268	77.2
256.23636	6.1
505.30521	1.7
539.39722	2.7
565.50305	1.5
653.42450	5.4
653.59796	1.3
715.42694	100.0
716.43073	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	716.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.1
61.98833	100.0
62.98538	0.2
69.64107	0.1
70.35271	0.1
71.01392	0.1
73.43367	0.1
89.02459	0.1
93.90871	0.1
96.28117	0.1
118.93671	0.0
197.78954	0.1
220.95143	0.1
247.36159	0.1
249.93773	0.1
251.46304	0.0
255.23334	0.1
256.23627	0.1
399.14224	0.1
400.14560	0.1
444.04596	0.1
481.01358	0.1
547.46442	0.1
626.30524	0.1
655.52814	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	713.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48438	2.7
56.96014	2.6
57.41481	2.5
67.83042	3.1
69.61684	17.1
71.01384	5.8
75.44010	2.7
85.02932	5.1
96.15761	2.7
96.96024	3.9
98.19920	6.0
108.02162	30.7
109.02930	9.7
115.00359	10.5
117.34777	2.7
126.83356	2.7
133.01422	31.8
133.02972	7.7
135.04497	9.0
139.03940	4.6
152.01144	64.4
153.05682	2.8
163.03957	3.4
169.21478	2.9
177.01959	5.8
179.03482	5.6
191.05652	3.6
241.06955	3.6
291.31665	3.1
391.64548	2.9
391.69510	3.1
393.77853	2.8
417.10355	100.0
418.10867	8.4
653.37140	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	713.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06202	0.7
55.77109	0.9
59.01365	2.4
59.65452	0.8
61.79377	0.8
69.37273	4.7
69.37697	2.5
70.84824	0.9
71.01394	1.6
73.02943	1.1
75.00863	3.2
80.91512	0.9
88.82173	1.0
96.96003	2.1
101.02425	1.4
105.91047	0.8
121.93218	1.1
127.77479	0.9
135.04480	1.1
165.85887	0.9
342.85382	1.0
407.49496	0.9
515.15576	1.2
669.36694	1.4
677.49585	2.5
678.49597	1.3
713.47339	100.0
714.47644	22.8
715.65662	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	714.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
70.05235	1.4
78.95910	1.3
84.90920	0.6
92.88248	0.6
92.90615	0.6
119.19211	0.7
122.07375	0.5
152.99611	0.9
279.23428	0.7
282.63361	0.7
550.99573	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86747	0.3
59.01372	0.7
61.98825	100.0
71.01396	0.2
83.62880	0.3
88.98833	0.7
89.02449	0.5
101.02468	0.4
113.02442	0.3
113.99275	0.3
119.03487	0.4
139.79683	0.3
141.38425	0.3
217.32437	0.3
354.48843	0.3
534.48712	0.4
599.98114	0.3
714.25397	0.4
714.54712	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.141
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67622	0.4
57.48802	0.4
65.00332	1.0
69.14711	4.2
69.76746	0.4
71.01381	0.7
79.19730	0.4
80.60214	0.4
83.01369	0.7
99.69388	0.4
107.01372	1.7
109.02966	0.8
121.02979	0.9
125.61362	0.4
133.01418	1.0
133.02965	0.7
151.00371	7.0
152.09775	0.4
161.02409	0.6
163.00343	0.5
171.04501	0.8
175.00342	1.0
178.99892	0.9
183.04541	0.6
187.04045	1.0
190.63425	0.4
193.05045	1.2
199.04044	2.9
201.01897	0.9
215.03456	0.8
226.02740	1.1
227.03462	3.2
243.02985	4.8
254.02080	0.6
255.02985	2.0
257.04202	0.5
271.02460	61.1
272.02805	4.4
282.01443	0.5
283.02435	0.5
299.01947	100.0
300.02567	18.1
301.03497	31.5
302.03934	2.8
313.03476	1.3
313.79944	0.4
314.04352	0.4
343.04697	1.0
344.72861	0.4
429.70694	0.4
462.08057	18.3
463.08722	12.2
464.09045	1.3
505.09872	13.6
506.10425	1.8
547.10358	1.0
625.13965	1.9
667.15118	83.5
668.15411	12.5
711.17755	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43000	0.8
52.50556	0.9
59.01377	100.0
60.01698	1.0
61.27426	1.0
69.77701	1.9
69.78108	3.4
71.01377	8.6
73.02939	3.5
83.01382	1.4
83.41045	0.9
85.02509	0.9
85.02969	5.0
89.16341	0.9
95.01370	1.0
99.00937	1.3
101.02444	8.4
104.78065	0.9
113.02442	3.5
161.04546	2.9
201.44484	1.0
212.04517	0.9
246.09732	1.1
269.10297	12.7
304.74915	0.9
311.11295	4.9
500.81134	1.0
529.19226	0.9
647.06647	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	29.1
61.98829	9.4
71.01383	21.4
71.49531	3.2
72.99319	3.5
73.02946	4.9
83.01329	1.8
85.02953	6.4
87.00885	7.0
89.02447	26.8
91.63233	1.9
95.01420	3.3
95.07420	1.9
97.02945	3.8
101.02438	24.1
113.02464	9.6
119.03519	9.5
125.02454	9.5
129.01955	1.7
135.13786	1.8
138.98515	1.7
143.03554	4.6
146.60645	2.1
157.55069	1.9
161.04555	4.3
179.05626	4.3
181.10217	2.0
235.08209	9.5
253.21713	77.7
254.21965	4.5
277.21927	1.9
287.07834	4.9
305.08749	5.5
397.13474	100.0
398.13803	5.4
415.14554	33.8
416.14917	2.7
425.91187	2.0
651.36951	2.5
712.26373	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	709.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22512	2.0
57.43107	1.9
59.01371	8.5
69.14213	18.3
69.47417	2.2
71.01396	2.0
74.15192	2.0
87.63057	1.8
93.49560	1.8
101.02475	2.3
103.29604	1.8
108.04570	2.4
110.06136	3.1
120.04512	2.2
120.08393	1.9
122.06120	16.7
124.07693	2.8
134.06096	2.7
134.12746	2.0
135.04544	3.1
138.05638	2.4
146.02573	2.4
147.53192	1.8
150.03256	2.9
150.05638	4.4
161.04802	2.5
161.06039	9.2
164.07138	2.6
168.06624	4.7
175.02765	2.2
205.05115	9.4
211.08775	3.6
213.10294	7.1
214.11118	5.4
215.11885	8.9
225.10393	2.7
227.08261	8.6
227.11919	10.2
229.09717	2.4
239.08174	3.0
240.09047	2.5
241.06239	2.6
241.09853	5.1
243.11403	2.3
244.12140	4.1
251.08072	2.1
253.06204	2.4
253.09744	7.5
254.06863	2.8
255.07816	5.3
255.11281	4.9
267.11246	5.0
268.08340	3.2
269.05734	2.7
269.09250	8.3
281.09192	2.3
282.10190	2.7
283.07208	5.6
283.10968	5.2
285.08990	3.6
285.12347	4.9
293.09235	6.7
295.10724	2.3
296.08173	3.4
297.08670	6.5
298.09549	12.4
299.10236	4.2
311.10223	4.2
315.10062	4.0
316.10681	3.1
322.11801	2.8
322.15485	4.3
327.09955	6.6
328.10400	2.8
329.11417	3.9
332.10376	2.5
334.11957	3.9
336.13382	4.9
336.17184	3.2
338.18652	11.2
342.08615	5.4
343.13089	4.5
345.10974	3.9
348.13416	4.3
350.15067	3.0
350.18811	3.4
352.12793	2.3
362.15167	5.0
364.12769	3.9
364.17001	4.1
366.14508	7.8
367.10269	3.5
368.19769	6.3
374.10977	2.8
376.16809	3.1
380.15814	2.8
386.11365	13.4
387.11948	5.9
388.12823	5.9
389.13217	2.8
392.16348	3.9
394.17868	4.0
396.15601	3.1
407.18381	2.4
408.15582	5.6
412.18698	13.9
418.13956	3.4
420.15637	4.0
422.13150	2.4
423.15067	2.1
433.16113	3.4
434.17313	3.6
438.16464	12.3
445.64264	2.5
450.16864	3.0
454.16269	4.9
455.16788	2.8
468.17740	5.9
482.15671	4.2
494.14838	2.5
496.17072	5.7
512.16699	12.4
521.25940	2.7
526.18164	5.3
527.19092	81.8
528.19525	20.1
552.19421	2.2
559.17908	4.4
633.25677	2.2
649.25183	24.7
650.25720	5.5
673.25183	6.1
677.24481	10.6
678.24811	2.6
691.26202	100.0
692.26483	21.0
709.27246	89.2
710.27460	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44436	0.5
57.03447	0.5
59.01381	100.0
61.98839	1.4
83.05052	0.7
109.06532	0.4
138.28859	0.4
140.88614	0.5
279.23248	0.9
283.20746	0.6
290.72009	0.5
317.30139	0.5
351.23920	0.5
391.26501	3.9
409.27414	4.3
410.28055	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4376
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56363	0.3
58.20052	0.3
59.01368	2.5
61.98821	0.6
70.64420	0.9
71.01375	2.1
71.51836	0.3
78.95899	0.6
83.01377	0.4
85.02988	0.4
89.02482	1.6
101.02431	1.9
107.96677	0.4
113.02455	1.3
143.03467	0.4
152.99539	0.4
161.04526	1.2
164.81583	0.3
167.14398	0.6
183.12416	0.5
183.13908	6.4
193.12352	1.4
211.13379	100.0
212.11865	0.6
212.13718	5.5
223.71271	0.4
235.08142	1.0
253.09259	7.2
277.21704	60.7
278.22070	5.2
279.23163	1.4
284.58484	0.4
429.21225	0.6
447.22305	3.5
522.75653	0.4
606.30219	0.3
716.05237	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53360	0.8
55.64192	0.8
57.85521	0.8
59.01363	1.9
59.22929	0.8
61.98804	1.6
68.14928	0.8
75.00871	6.8
83.58373	0.7
91.58375	0.7
98.20720	2.3
103.00365	5.8
133.37294	0.7
197.11942	1.1
211.13327	4.0
212.13698	1.6
230.60756	1.2
277.21667	2.9
278.21991	1.9
279.23212	1.8
302.25699	0.8
353.99194	0.9
438.09821	2.3
453.11896	1.9
454.08826	1.1
455.17252	9.3
456.17834	1.6
457.18448	0.9
459.16537	1.0
468.10153	1.3
469.11316	2.5
473.18271	11.7
474.18518	1.1
481.11652	1.7
482.12054	1.7
483.12830	1.6
496.13925	9.7
497.14172	3.7
499.16364	1.3
500.13037	0.9
501.17923	2.0
510.15286	1.8
511.16199	13.5
512.13208	20.4
513.13995	5.4
519.13910	1.1
526.14990	12.6
527.15649	13.5
528.16022	2.6
543.22186	2.7
560.15631	2.5
571.21100	1.0
587.21490	2.8
595.66626	0.9
597.20013	2.6
599.22015	8.0
600.20703	1.6
601.23041	1.1
605.18036	13.5
606.18378	2.9
607.19312	1.2
613.19482	2.0
614.20154	100.0
615.20673	38.5
616.20709	2.9
629.22455	3.4
645.21710	2.3
646.19128	11.9
647.19727	2.0
649.17029	5.8
665.20178	7.2
666.20197	1.9
673.21228	2.3
709.19214	12.2
710.19171	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.305
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80865	0.8
51.83728	0.8
54.52084	0.8
54.59529	0.7
59.01371	1.1
59.94333	0.8
61.98817	1.2
63.92432	0.8
70.68279	2.4
78.91874	0.9
78.95922	1.7
80.91685	16.7
92.33891	0.8
103.05551	1.2
104.09714	0.8
130.04243	5.5
133.02962	1.1
149.06096	2.7
152.99586	1.5
157.02971	3.9
159.04527	47.6
160.04878	1.9
161.02473	2.9
174.48788	1.1
177.81096	0.9
179.01143	1.6
182.76010	0.7
197.02223	11.0
199.03828	5.2
200.18463	0.9
203.03503	29.6
204.03769	1.9
211.13423	4.5
225.01692	100.0
226.01917	4.6
241.01161	2.2
243.02800	1.7
277.21790	6.8
278.22104	1.0
279.23132	2.0
335.34409	0.9
339.05133	1.2
347.07715	6.9
369.05881	12.9
387.06992	2.0
439.24741	1.0
453.15152	0.9
471.16373	1.0
510.57574	1.0
647.28552	5.9
648.28912	1.5
688.26807	1.0
707.37280	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	707.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.7
57.03428	1.4
59.01379	26.3
61.98824	17.3
64.03541	0.9
67.01878	1.0
69.03452	100.0
69.29277	8.1
70.03793	1.8
71.01376	12.8
72.99303	4.3
73.02946	3.6
79.01894	3.6
83.05070	0.8
85.02946	5.0
87.00896	1.3
89.02443	5.5
93.03461	1.1
95.01390	3.2
96.96023	2.3
97.02945	18.8
97.03507	1.6
99.00871	27.6
100.01224	1.1
101.02430	5.2
113.02443	3.3
116.92855	1.1
123.00853	1.6
135.04552	1.0
141.01930	10.1
143.03499	1.5
159.04489	2.5
161.04562	1.6
165.10730	0.9
185.00894	92.2
186.01251	2.6
203.03473	3.1
215.27344	0.8
341.27252	1.4
355.24878	3.6
359.27945	5.3
369.10843	1.8
373.25995	2.3
415.26929	10.6
485.30685	1.1
503.31714	1.2
521.33203	52.9
522.33325	7.8
647.36920	3.9
663.35022	2.8
665.37671	2.3
689.20911	1.1
707.25201	2.4
707.35217	15.1
708.35620	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	707.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.9
69.46709	2.1
71.01376	1.9
73.02964	0.3
85.02944	6.6
87.00889	1.6
89.02458	0.3
93.03439	2.2
96.95986	0.6
101.02425	0.5
104.99535	0.3
108.02183	3.3
109.02956	0.9
111.04505	1.1
113.02419	0.6
115.00327	0.4
123.04513	2.1
127.04032	1.7
128.66924	0.3
133.01451	0.3
133.02953	0.6
135.04482	0.8
136.73055	0.3
137.02460	0.5
147.04559	0.4
151.03986	0.5
152.01143	9.1
159.04488	0.7
161.02435	2.3
166.02708	0.3
167.03493	21.9
168.03828	0.6
171.02998	0.4
173.04518	0.9
177.01958	0.4
179.03474	1.2
191.05603	100.0
192.05937	3.7
193.04874	0.3
209.04533	1.7
255.03081	0.4
295.02576	0.6
295.09790	0.6
312.02737	1.2
323.01938	0.3
329.08789	1.4
353.08780	20.9
354.09106	1.9
501.16040	2.5
513.95398	0.4
517.10205	1.7
646.14044	0.6
707.18347	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23733	1.4
55.01871	2.0
57.03428	6.5
59.01377	71.8
61.98829	41.3
62.78807	1.7
66.44228	1.8
69.03461	3.2
69.27258	13.0
69.27662	2.9
71.01006	2.9
71.01380	33.4
72.99296	4.1
73.02944	12.9
75.00849	6.5
83.01372	4.5
83.05012	2.6
85.02955	14.8
87.00860	6.9
87.33756	1.6
89.02433	14.1
91.42367	1.7
93.03461	4.0
96.95983	1.8
97.02937	2.6
99.00882	2.4
99.92548	1.7
101.02448	16.7
109.02972	8.0
111.00838	1.7
113.02429	11.1
115.00370	4.0
115.92066	2.7
116.92857	7.0
119.03463	4.8
121.02970	18.2
123.04510	2.7
125.02431	4.1
125.88401	1.7
128.03482	1.6
135.04520	4.2
137.02415	1.9
139.04015	2.0
143.03476	2.1
148.01685	2.4
149.02400	4.9
151.03943	2.5
157.02901	4.5
159.04494	3.9
161.02405	3.6
161.04590	5.3
163.07582	2.9
165.01945	2.0
171.10252	2.4
174.03140	2.6
175.00314	8.8
175.03992	2.1
177.01871	4.7
179.05585	2.1
179.84370	1.6
187.03992	2.6
187.07651	5.2
189.01848	2.1
191.03380	1.8
191.05611	2.7
195.06625	2.0
197.11748	2.6
201.00113	3.4
201.01915	53.5
202.02396	3.5
203.03540	3.5
209.11728	2.1
215.03496	4.5
215.17223	1.5
217.01375	2.4
218.16536	1.6
224.09114	2.2
224.33551	1.8
229.01460	3.1
229.05002	3.0
230.05853	1.9
231.06642	7.9
243.06876	2.3
255.03107	2.3
267.02921	3.3
268.08261	2.6
283.02448	9.3
284.03128	2.2
295.02548	8.3
297.04114	3.9
301.03391	3.3
305.04639	2.4
307.06131	1.9
309.03766	2.0
309.20685	11.6
312.90021	1.7
323.05499	7.4
323.08960	2.0
325.03458	11.5
329.03036	13.5
335.09232	3.9
351.05045	51.0
351.08807	8.2
352.05411	6.4
352.09293	3.0
380.08963	94.0
381.04785	3.9
381.09711	73.1
382.09894	5.4
399.10751	6.2
415.14572	3.9
448.14767	2.0
485.31961	2.2
503.32227	2.9
582.55786	2.0
603.38470	2.3
647.36957	13.6
663.33746	14.2
664.34058	2.2
665.37384	7.7
689.20782	96.2
690.20874	11.6
707.21899	100.0
707.38177	10.2
708.22180	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	706.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09296	0.6
56.10430	0.5
59.01347	1.6
61.98830	9.9
62.62713	0.5
73.02929	0.9
112.32289	0.6
166.08398	0.6
277.21677	1.2
381.79553	0.5
408.11871	0.6
409.49036	0.7
452.11230	1.3
455.17380	0.8
465.15399	1.1
466.16556	0.8
467.13330	0.7
473.18243	0.7
481.11240	1.0
481.18518	1.1
495.12830	1.1
496.13501	2.8
497.14606	2.0
507.16840	1.8
508.17291	4.3
510.15161	4.3
511.15994	7.8
512.16376	3.2
513.17316	1.6
514.16315	0.9
523.19794	2.3
524.19861	0.8
525.16345	0.7
528.17120	0.7
538.15021	2.6
539.15155	1.2
540.16565	1.3
541.16089	0.8
544.16547	3.0
553.17328	0.9
556.15973	0.9
570.17291	1.3
571.18091	2.2
583.18237	1.0
588.19507	1.6
599.21277	0.9
643.20453	100.0
644.20740	21.8
646.20758	5.4
706.22845	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	707.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28245	0.2
59.01372	0.6
67.01880	0.2
69.40360	1.5
71.01382	0.5
74.52517	0.2
81.03462	0.2
83.05057	0.3
85.02947	5.7
87.00872	1.3
93.03457	2.3
95.72530	0.2
99.04507	0.4
99.58543	0.2
102.66976	0.2
109.02954	0.5
111.04522	0.5
127.04007	1.6
133.02916	0.7
135.04536	0.9
161.02504	1.5
171.03036	0.2
173.04555	1.0
179.03481	0.7
191.05606	100.0
192.05937	3.5
351.07217	0.2
353.08746	11.5
354.05310	0.2
354.09109	1.2
484.36261	0.3
521.19604	0.3
595.48053	0.3
650.54315	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.97873	34.4
71.49848	40.3
82.78236	33.6
92.44152	38.7
102.57363	42.0
116.39938	40.2
130.83943	36.3
132.91029	36.8
171.10260	47.2
196.57564	37.8
223.40744	45.8
277.21872	55.6
488.67548	36.9
591.25879	99.1
623.28333	80.7
708.83875	40.6
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
59.01379	2.4
60.01715	0.1
61.98828	100.0
71.49158	0.1
165.15828	0.1
173.07236	0.1
205.49609	0.1
293.27405	0.1
372.82446	0.1
483.15149	0.3
484.15704	0.5
498.17130	0.2
542.16205	0.1
555.19244	0.1
557.19299	0.5
558.19153	1.5
575.16309	0.3
589.17578	0.1
641.22565	0.1
644.23456	0.5
656.21533	0.1
704.23901	2.6
705.23596	0.4
710.43634	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75491	0.1
59.01374	0.2
61.98829	100.0
62.98520	0.2
63.91413	0.1
69.48604	0.4
69.49021	0.6
73.46187	0.1
96.94652	0.2
98.19936	0.3
165.79199	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59310	0.6
53.09998	0.5
56.77658	0.6
59.01379	1.2
61.98825	6.3
63.54978	0.6
66.47410	0.6
66.72216	0.6
78.95905	10.7
98.20657	1.8
110.98535	6.9
122.97588	1.1
155.38896	0.6
167.01131	2.5
210.53889	0.6
215.49014	0.7
275.20004	0.8
277.21701	100.0
278.22018	8.2
445.23608	4.4
705.45593	6.3
706.45099	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	706.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57037	0.5
61.98830	11.1
66.01993	0.5
71.01382	0.6
73.02944	1.3
75.00896	0.5
159.04359	0.4
240.24721	0.5
277.21567	0.6
295.99310	0.5
303.89774	0.5
452.11313	1.0
453.11844	1.0
456.17880	0.6
459.15918	0.5
466.16367	0.8
467.13611	1.7
468.13898	0.8
481.18967	0.6
488.16922	0.8
495.12595	0.9
496.13583	4.0
497.14047	1.1
508.17456	2.0
510.15466	6.8
511.16064	10.4
512.16791	2.1
513.16589	1.0
523.20001	1.4
528.17590	0.7
538.14941	4.9
539.14691	1.1
540.16168	0.8
542.14850	1.0
544.20844	2.5
545.19452	0.6
567.18805	1.0
570.17413	1.6
571.17743	1.1
583.18286	2.1
588.19147	1.0
626.49017	0.6
643.20428	100.0
644.20697	25.8
646.20612	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	703.3826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.16096	23.3
61.98820	77.3
69.90980	100.0
69.91328	35.9
70.24178	20.2
98.20016	29.6
102.35184	19.9
105.87709	21.8
107.66248	24.6
131.49586	20.2
153.21339	21.7
161.85237	24.4
171.10304	35.2
224.57668	24.0
277.21756	40.5
487.57025	25.5
591.26080	55.1
623.28369	41.5
729.67963	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	703.297
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36614	0.9
57.03447	4.7
58.00600	3.6
59.01379	21.1
59.05034	1.1
61.98822	2.0
66.83738	1.0
69.03442	2.8
70.82175	2.9
71.01376	7.0
71.05019	1.1
71.11996	1.2
72.99299	1.1
73.02943	4.5
83.01392	1.3
83.05028	2.1
85.02943	7.5
87.04514	27.5
89.02438	2.6
96.96032	5.8
97.02975	4.0
97.06587	1.8
99.04541	3.4
101.02425	6.0
102.05621	2.8
109.06538	1.2
109.57686	0.9
111.04577	2.6
111.08182	1.3
113.02431	1.9
116.92834	2.0
121.02957	6.7
123.04544	1.3
125.02444	3.2
125.06031	2.4
127.07633	1.1
128.03552	10.5
129.03880	2.2
135.04523	2.5
135.08168	4.4
137.06107	1.2
137.09727	21.5
139.07661	4.3
139.11276	1.7
141.09209	1.7
145.02922	2.1
146.04596	4.2
147.04535	2.4
148.11632	1.0
149.09734	1.4
151.11299	3.2
155.10782	100.0
156.11057	4.9
159.04533	13.9
160.04912	4.3
163.07675	1.4
163.11287	2.5
167.10788	3.7
169.12302	5.9
172.89984	1.0
177.09244	2.5
179.10738	9.8
181.08684	8.2
181.12379	1.2
191.10817	5.0
193.12402	2.5
195.10205	6.7
199.09752	93.4
200.10101	4.6
203.03493	3.6
213.11366	3.7
223.09818	2.4
224.04768	1.6
225.11365	3.2
227.12915	2.5
237.11295	2.2
240.04330	1.4
241.08421	1.9
241.10828	29.5
242.11313	1.9
253.08519	1.9
253.10808	10.0
255.10187	2.5
255.12473	4.9
268.07370	1.4
269.08197	31.2
269.11298	1.4
270.08630	3.6
270.12283	1.2
271.09747	1.9
281.08228	4.7
283.12079	46.4
284.12302	2.8
295.09579	2.4
296.10220	1.2
298.12076	1.6
299.09262	21.5
300.09866	2.2
309.07733	1.2
310.12155	1.3
311.09229	30.6
311.12793	2.2
312.09869	4.0
314.11572	37.4
315.12271	9.4
325.10849	4.1
326.11536	23.6
327.11972	5.4
328.12799	1.3
329.13934	99.0
330.14255	7.9
340.12811	1.7
341.13919	58.1
342.14389	5.8
343.13931	26.6
344.14362	2.5
499.20566	2.5
546.19397	1.0
546.48431	1.1
549.90533	1.1
703.29858	42.9
704.30463	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	702.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21574	0.2
59.01373	0.4
61.98825	100.0
70.70136	0.2
70.70480	0.3
71.01392	0.2
84.19939	0.1
93.26707	0.1
101.02387	0.2
135.32413	0.1
188.53152	0.2
285.40140	0.2
357.38821	0.1
571.62415	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.8
69.34600	0.8
69.35005	4.4
71.01384	11.7
72.99303	2.0
73.02279	0.7
73.02960	0.6
83.81108	0.6
85.02946	2.7
86.17566	0.6
87.00874	1.5
89.02438	1.5
93.03457	1.4
115.00380	29.8
119.05032	20.8
126.11165	0.6
133.01436	100.0
134.01794	2.5
139.26013	0.6
163.04013	27.3
164.04402	0.7
173.04565	0.7
186.87189	0.7
191.05621	34.1
192.06000	1.5
203.28815	0.8
279.05127	2.8
334.26556	0.6
337.09302	5.5
410.84546	0.6
632.80627	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88962	2.4
59.01374	3.7
61.73327	2.1
61.98827	9.4
71.49491	2.7
100.39123	2.8
136.08066	2.2
171.10304	3.2
196.46252	2.4
201.01871	2.5
211.13377	5.9
251.25858	2.3
254.32753	3.0
275.84387	2.7
453.15756	4.3
466.15610	3.8
467.16998	3.3
468.18192	9.4
469.18576	6.2
481.18546	7.0
483.20981	15.2
484.21021	4.2
494.18988	11.3
495.18869	4.4
496.16678	5.6
497.17990	4.1
500.17026	13.3
507.16559	7.0
508.16855	4.3
509.17697	8.5
510.17984	12.8
513.16400	3.8
521.17828	3.1
522.17731	8.3
523.19415	4.4
525.17865	17.5
526.18011	4.8
527.19165	7.3
528.16577	6.5
535.18555	3.5
536.19281	5.1
537.20349	7.3
542.15112	3.8
553.19897	4.9
554.19580	4.0
555.17383	2.7
564.22174	4.7
568.20941	5.1
569.19043	12.0
571.19061	3.7
573.19952	16.9
581.19391	3.8
582.22656	5.5
589.20172	3.7
596.21246	4.8
608.21918	6.1
626.22595	100.0
627.22852	23.7
642.21942	13.1
643.21753	8.3
658.25482	4.6
670.21857	14.7
671.22052	3.9
684.23083	2.9
702.24280	83.4
703.24695	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.4477
Annotation	Kulomo'opunalide-2
Peak:m/z	Relative Intensity
52.34629	0.3
55.82875	0.4
59.01380	4.6
59.16483	0.4
61.15173	0.4
61.98828	0.5
69.78183	0.7
69.78596	1.4
71.01373	3.3
73.02920	1.2
85.02950	1.3
87.00863	1.0
89.02441	2.3
95.01334	0.3
101.02441	3.2
111.08121	0.8
113.02460	1.5
116.92854	1.4
119.03481	0.8
125.50826	0.4
145.05061	0.5
161.04539	1.4
165.12857	6.8
183.13890	50.6
184.14201	2.0
209.11818	3.9
227.12946	3.2
235.08252	3.0
253.09229	4.3
255.23273	100.0
256.23627	6.4
367.51520	0.4
395.74277	0.4
445.20728	1.4
463.21811	1.4
491.32309	0.6
506.89319	0.4
533.61884	0.4
570.22522	0.4
683.43671	0.5
701.44739	67.3
702.45129	12.1
702.56891	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	5.9
58.00589	2.9
59.01381	24.2
59.13169	1.3
60.07540	1.2
61.17109	1.1
61.98818	3.9
63.86036	1.2
69.19597	9.4
69.20005	2.0
71.01378	8.7
72.99311	1.4
73.02941	5.4
85.02943	7.5
87.00855	1.5
87.04514	23.2
89.02428	3.2
95.05060	1.7
96.96004	5.3
97.02953	5.1
97.06587	1.8
98.20660	2.5
99.04516	1.7
101.02434	6.8
109.06612	1.8
111.04545	2.0
111.08154	2.5
113.02401	2.9
115.92080	1.5
116.92852	3.5
121.02943	5.0
121.06602	1.4
123.04517	1.8
123.08170	1.4
124.36029	1.2
125.02434	3.9
125.06062	1.9
128.03500	1.5
135.04538	2.3
135.08131	4.6
137.06107	1.9
137.08766	1.8
137.09740	22.0
139.07657	3.6
145.02899	2.0
149.06088	1.1
149.09698	1.2
151.11267	3.3
153.09207	1.7
155.10782	88.6
156.11092	3.0
159.04486	4.2
163.07532	1.6
165.09236	1.6
167.10712	1.4
169.12303	5.4
175.03996	5.4
177.01828	1.9
177.09187	4.1
179.10796	10.6
181.08711	9.5
190.06329	2.4
191.10721	5.8
193.12320	1.4
195.10252	4.2
199.09747	100.0
200.10101	3.5
213.11319	3.6
222.05287	6.0
223.09819	3.6
225.11324	1.8
234.06842	1.4
239.07101	1.4
241.08484	1.4
241.10797	29.4
242.11174	1.3
242.16478	1.6
251.07195	1.5
253.08423	2.2
253.10886	8.7
255.12328	5.9
261.05621	1.9
263.07129	5.6
267.06699	2.5
268.07431	1.7
269.08179	10.9
277.08661	1.6
279.06677	4.2
281.08167	14.0
282.08957	2.4
283.11920	52.7
284.12317	2.0
291.06619	2.1
292.07388	1.6
293.08295	3.8
294.08868	6.0
295.09595	2.6
296.10403	3.1
297.07672	26.6
297.11002	2.6
299.08972	1.6
308.10544	3.8
309.07669	45.1
309.11285	10.9
310.07980	4.7
310.11496	1.4
311.09207	2.9
312.10034	27.9
313.10651	5.1
314.11511	3.3
323.09244	8.2
324.06213	1.8
324.10034	27.7
325.10605	5.3
326.11871	1.3
327.12344	81.5
328.12759	7.6
329.13913	9.0
339.12354	79.1
340.12665	8.5
341.13855	5.4
343.13934	32.1
344.14209	2.2
701.28015	40.7
701.38666	2.4
702.28052	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	701.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	2.9
61.98827	4.8
65.49839	1.7
65.99847	4.3
71.50217	2.0
82.02977	17.6
83.01403	2.1
89.02419	2.4
94.55022	1.9
101.02392	2.1
106.06635	2.0
136.04047	3.1
152.03517	20.2
177.02974	2.2
181.71054	1.6
194.08203	6.1
207.75111	1.9
255.23146	3.6
256.23624	2.6
265.13379	2.1
397.13580	3.0
398.13757	6.5
475.17319	2.0
539.18988	1.9
540.19702	2.4
577.21320	2.2
619.22180	2.6
621.27454	3.8
625.27258	2.5
641.25983	6.2
651.24438	34.2
652.24933	8.0
669.25916	5.5
683.27234	4.0
701.28265	100.0
702.28442	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.98825	4.2
70.68632	3.7
78.95904	2.7
86.29162	1.5
97.52654	1.3
104.02711	1.6
104.74776	1.5
121.02983	2.3
149.93755	1.8
194.64049	1.5
196.82619	1.8
209.04436	3.0
255.23341	4.7
277.21411	2.0
295.22818	4.7
345.23059	1.7
353.76920	1.9
438.13293	5.6
452.14694	1.8
480.14075	1.9
481.15161	46.2
482.15274	9.9
495.16769	13.7
497.18268	5.7
540.16528	9.4
541.17255	2.2
554.17651	4.4
555.18872	78.8
556.19110	17.1
567.18787	2.3
569.20679	3.3
572.15509	24.3
573.15729	2.4
586.17102	4.3
621.27191	3.1
641.22559	34.1
642.22821	9.1
701.24707	66.7
702.24725	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	700.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.7
61.98834	100.0
71.01378	0.7
71.49566	0.7
87.42558	0.7
93.52200	0.7
102.79140	0.6
171.10303	1.2
539.20709	0.9
545.33258	0.6
677.06030	0.7
691.34888	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
69.24977	0.4
71.50176	0.6
74.38190	0.4
86.24629	0.4
103.90706	0.4
255.23415	1.5
295.22830	0.7
534.22638	0.6
540.28662	0.5
656.42261	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.7
57.03446	0.6
59.01382	100.0
60.01723	1.1
71.01382	6.7
73.02946	3.5
75.00877	0.6
83.01417	1.8
85.02958	4.1
89.02456	0.6
95.01432	0.6
99.00906	1.3
101.02448	9.5
107.05135	0.5
113.02489	2.8
115.00465	0.5
130.04286	1.5
133.01465	0.9
135.04533	0.8
147.03125	0.5
149.06116	1.4
159.03188	0.6
159.04518	10.7
161.04588	3.4
163.16585	0.5
173.05981	0.5
175.04179	0.5
203.03503	11.7
203.05299	0.7
249.13440	16.4
250.13881	0.9
255.97243	0.5
279.94415	0.5
291.14514	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	701.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
59.52938	0.4
61.98829	2.0
64.89433	0.5
68.54742	0.5
70.97184	0.8
70.97511	0.8
76.45444	0.6
96.02216	0.6
105.88740	0.5
108.40524	0.5
115.12630	0.6
125.55234	0.5
155.78110	0.5
232.40065	0.6
239.92586	0.6
350.87143	0.5
437.12375	1.1
438.13348	2.6
439.13947	1.1
452.14838	2.0
453.15738	0.6
455.09650	0.8
477.49716	0.6
480.14282	1.6
481.15134	33.7
482.15491	6.3
495.16794	10.8
496.17239	2.6
497.18378	5.7
498.18863	0.7
514.14850	2.6
525.13672	1.0
528.16479	0.7
528.62659	0.6
539.15802	1.8
540.16479	8.3
541.16827	2.0
551.19244	0.7
553.17670	0.7
554.17859	2.8
555.18835	54.1
556.18933	11.2
567.19092	1.3
572.15460	16.0
573.15607	3.8
577.17267	0.7
586.17102	8.7
587.17212	0.9
609.19543	0.9
625.28668	0.8
627.20660	1.2
641.22528	24.8
642.22864	5.7
701.24603	63.7
702.24768	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	699.432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50267	0.7
55.36229	0.7
56.33033	0.7
57.03430	0.7
59.01368	3.7
61.98827	1.9
70.68156	2.3
71.01374	4.1
73.02973	1.2
81.88818	0.6
85.02943	1.5
89.02442	3.0
98.97627	0.7
101.02444	5.2
111.08186	1.8
113.02457	1.9
115.92110	2.2
128.63487	0.6
161.04543	1.9
165.12842	5.8
183.13893	55.3
184.14262	2.7
209.11867	2.8
227.12845	3.8
235.08202	2.3
253.09311	5.0
253.21718	100.0
254.22087	7.5
310.57129	0.7
313.97427	0.6
357.34787	0.7
414.55716	0.7
445.20862	1.5
463.22018	1.9
463.28888	0.7
699.43219	71.6
700.43433	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	699.3813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55395	0.9
55.01873	1.7
57.03448	4.5
58.00587	1.8
59.01381	33.1
61.98830	9.2
69.03448	2.3
71.01384	25.1
71.50272	1.8
72.99319	2.6
73.02943	8.1
75.00879	7.1
83.01369	2.7
85.02939	6.4
87.00871	3.1
88.98833	1.8
89.02454	17.2
93.03511	1.0
95.01397	1.5
96.95988	5.2
97.02957	0.9
99.00885	2.0
101.02462	12.5
109.02967	1.3
113.02461	7.3
115.00344	4.3
116.07182	0.9
116.92829	0.9
119.03532	5.9
121.06677	1.2
123.04517	1.2
123.08164	1.4
125.02531	1.2
133.01471	6.3
134.03751	1.9
135.04504	1.6
143.03496	1.7
150.03241	1.1
152.01112	1.4
155.10774	2.5
157.12390	1.6
159.04492	2.1
161.04668	1.0
167.03500	2.9
174.01698	8.1
177.02000	1.4
179.03513	1.2
179.05615	4.0
185.00999	1.1
185.11909	2.6
193.05075	2.2
227.05153	1.0
227.07089	4.6
232.07416	1.0
236.38786	1.1
263.92447	0.9
287.09290	1.2
329.23322	3.3
339.25284	1.7
341.10913	12.2
357.26480	8.6
358.26886	1.5
373.25851	2.1
375.27521	98.2
376.27872	7.7
417.28601	1.9
421.12936	3.7
451.26892	2.4
452.18277	1.7
499.16183	2.0
501.30258	1.0
519.31549	6.0
537.32965	12.4
538.33234	1.1
595.34308	1.3
655.38507	6.1
699.38165	100.0
700.38483	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	2.6
58.00591	2.9
59.01376	40.6
61.98822	18.6
62.08269	2.4
69.30057	21.2
69.91019	2.3
71.01376	30.6
72.99295	6.3
73.02939	33.0
75.00875	17.9
83.01376	14.3
85.02952	14.1
87.00868	27.7
87.04490	3.5
88.98811	5.1
89.02440	12.1
93.03471	3.5
96.96006	5.6
99.00864	5.4
101.02427	21.4
108.02185	2.6
109.02956	19.4
111.00278	2.1
111.00890	16.1
113.02435	10.0
115.00369	30.7
119.03462	3.0
121.03025	2.3
127.00388	3.4
133.01398	6.3
133.02939	9.7
135.02948	3.7
135.04509	39.6
137.09694	4.1
139.00369	13.0
139.51640	2.4
143.04938	4.8
145.02995	5.1
146.03735	3.1
147.04543	8.9
148.05247	3.6
149.06065	100.0
150.06395	5.2
155.10765	18.0
156.00636	7.9
157.01424	13.8
159.04485	15.5
161.02419	36.7
161.04543	4.7
161.06055	12.9
163.03987	10.1
165.05565	10.6
171.04553	11.9
173.06094	7.7
174.01694	11.5
174.03201	15.4
175.02455	39.7
175.03992	43.0
176.02937	3.2
176.04691	5.5
177.05534	14.2
179.03534	12.0
187.04002	41.4
188.04698	8.2
189.01910	3.2
189.05563	58.4
190.05893	4.4
191.03519	5.5
193.05043	17.2
199.09732	20.6
200.04813	4.3
201.05563	13.8
203.03458	12.2
203.07167	3.1
204.04324	3.9
205.05013	14.5
206.62296	2.4
207.02896	3.2
207.06552	4.5
213.05505	21.4
215.03473	96.8
216.03917	6.9
219.02907	14.4
219.06619	4.2
221.04512	7.7
227.03497	6.9
229.05089	3.3
231.02934	2.6
231.06577	44.5
233.04601	15.3
237.04001	46.0
241.10782	6.9
244.03740	3.7
245.04419	8.9
247.06104	4.4
249.03990	4.0
249.07684	7.7
251.05603	3.7
257.04547	18.7
263.05649	2.7
275.05585	60.4
276.05829	2.6
277.03418	10.2
283.11926	8.2
293.06689	30.0
301.23849	3.2
318.38254	2.5
337.05606	24.9
343.14011	11.1
355.06720	5.9
371.97064	2.5
523.18048	4.2
531.09338	2.7
537.32410	2.9
559.18152	3.8
581.18762	41.2
599.19464	3.1
601.19232	8.4
619.20398	20.0
625.34515	7.5
639.19489	9.2
655.34344	7.6
663.19409	7.5
681.20380	21.5
699.21484	28.8
699.38000	83.5
700.21399	4.6
700.39215	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	698.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.9
60.01712	0.5
61.01806	0.4
61.98828	100.0
71.50072	0.5
78.95907	0.7
79.21806	0.3
80.43487	0.3
308.65036	0.3
591.25574	0.3
698.32489	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1422
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11833	0.9
59.01385	3.0
64.72173	1.2
65.00360	1.1
66.39979	0.9
70.00386	3.8
86.59007	1.0
88.98814	3.7
98.19942	1.3
107.01399	2.0
109.02958	1.5
116.78893	1.1
122.06133	3.4
131.68610	1.1
135.04539	1.6
138.05638	2.5
151.00356	10.1
163.00362	1.4
164.07155	2.4
167.05872	1.8
177.01984	2.3
178.99864	4.1
187.03682	1.4
190.08690	2.5
191.04640	2.3
226.02779	1.5
233.09331	19.4
238.10817	1.3
243.03029	8.5
254.02118	1.2
255.02972	20.8
256.03488	1.6
271.02478	35.7
272.03012	3.1
277.08261	8.8
278.09045	9.6
279.09836	2.0
299.01871	1.5
300.02756	80.0
301.03494	31.3
302.03873	1.5
305.01251	1.3
363.12231	1.2
421.19739	1.3
442.37057	1.1
467.17212	3.6
499.19522	3.5
511.46817	1.0
609.14642	100.0
610.14923	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	697.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	1.7
60.26750	1.1
69.48611	8.9
71.01380	16.3
82.05928	1.2
91.97310	1.1
102.74506	1.2
115.00369	5.9
117.03452	4.7
134.03732	53.1
135.04102	2.0
145.96243	1.1
149.06078	7.2
151.53925	1.4
171.10246	1.1
178.02649	4.3
193.05037	100.0
194.05367	4.2
302.49792	1.3
309.06052	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	697.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73397	0.3
53.27914	0.3
54.07754	0.4
57.03444	0.8
59.01376	4.9
60.99303	0.7
61.98831	1.0
62.93740	0.3
67.01878	0.9
69.03452	1.3
71.01377	2.9
71.44012	0.6
72.99301	0.7
73.02946	2.3
75.00867	1.9
81.03428	0.4
83.01363	0.5
83.05031	0.7
85.02457	0.7
85.02953	10.0
87.00869	2.8
87.04512	0.8
88.98805	3.1
89.02472	0.9
93.03459	5.1
96.96004	0.9
97.02945	0.5
99.04528	0.6
101.02440	1.4
107.05055	0.5
109.02960	1.0
111.04514	1.5
113.02448	0.5
115.00381	0.5
117.03484	0.4
123.04533	0.4
127.04015	2.3
132.02100	0.3
133.01411	0.7
133.02962	6.2
135.04520	6.4
137.02405	0.4
137.09697	0.9
143.03482	0.6
150.03191	0.6
155.10803	3.2
159.04507	0.5
161.02437	17.6
165.05664	0.6
167.03465	0.6
173.04547	1.3
179.03490	2.8
181.08653	0.4
191.05605	100.0
192.05945	3.1
194.46335	0.4
199.09828	3.0
241.10828	0.7
260.84531	0.3
283.11826	1.2
299.12885	0.5
317.13824	1.8
343.13861	1.2
353.08762	10.2
354.08978	0.8
359.14932	1.1
389.05457	0.4
449.25998	0.4
461.18198	1.5
479.19446	0.5
505.17163	23.3
506.17615	3.1
653.32043	1.1
661.34412	0.5
697.23499	10.0
697.36914	2.0
698.24646	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	697.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90071	0.3
59.01377	100.0
60.01712	1.0
61.98832	1.2
64.78571	0.2
70.91642	0.6
71.01370	0.4
73.91106	0.2
75.32722	0.3
77.07288	0.3
83.91429	0.2
85.62180	0.2
88.27034	0.2
120.74583	0.3
121.02951	2.4
126.69108	0.3
151.07709	0.4
171.10326	0.5
177.09262	0.3
185.11853	0.3
191.03523	0.9
209.04521	1.7
209.10759	0.2
362.00705	0.3
593.13147	0.6
697.42493	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93036	0.6
57.03432	1.2
59.01380	10.9
61.98825	1.1
67.01876	1.2
69.03453	2.1
71.01373	4.8
71.50645	0.7
71.51033	0.6
72.99310	1.3
73.02946	2.1
75.00876	8.6
81.03434	0.7
83.01369	0.8
83.05034	0.7
85.02948	16.6
87.00875	3.9
87.04514	1.3
89.02430	2.3
93.03454	5.8
96.95992	1.7
97.02953	1.0
99.04524	1.4
101.02429	3.8
102.28395	0.6
103.57941	0.6
109.02959	2.3
111.04536	2.0
113.02446	2.5
113.35059	0.5
115.00375	0.6
117.03461	2.0
119.04943	0.5
123.04536	1.2
125.02489	0.7
127.04029	2.9
132.02159	1.0
133.01413	1.2
133.02953	13.6
135.04541	8.3
137.09697	1.4
139.27325	0.6
155.10785	9.1
159.04463	0.7
160.01613	1.0
161.02434	44.9
162.02814	1.8
163.07584	0.7
163.11327	0.6
165.05672	0.6
169.12294	0.6
171.03075	0.7
173.02461	3.0
173.04514	2.3
174.03178	1.1
175.03909	1.2
179.03462	2.2
179.10689	1.0
181.08678	1.0
185.00888	0.6
189.01752	0.5
189.05591	0.9
191.05603	100.0
192.05917	3.3
199.09767	5.3
201.01915	16.8
202.02333	0.7
205.05113	0.7
241.10738	1.9
255.12300	0.9
258.12918	0.6
269.01477	0.6
282.01822	0.9
283.11789	3.0
299.12823	1.9
317.13965	6.5
343.14044	2.7
353.08609	2.8
359.15137	2.8
373.03406	1.8
373.25955	1.9
401.16321	0.8
403.77341	0.7
418.03189	1.9
419.04019	2.6
449.25595	1.2
461.18271	1.9
479.19452	1.3
491.22360	0.8
492.07687	1.0
493.07700	0.8
505.17160	52.5
506.17468	5.7
511.21753	0.6
535.21558	0.6
623.10571	4.2
653.37738	5.9
697.23584	29.5
697.36163	4.9
698.23511	5.8
698.35016	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43657	0.4
56.05152	0.4
58.71354	0.4
58.99683	0.3
59.01385	2.0
59.55690	0.3
62.51300	0.4
65.15586	0.3
69.64034	1.9
71.01381	10.0
72.99306	1.5
85.02952	0.7
87.00880	0.8
89.02449	1.8
91.05518	0.6
93.03441	0.4
96.96048	0.5
99.10243	0.4
105.03448	0.6
106.03742	0.4
106.72403	0.4
110.09210	0.4
115.00377	29.9
116.00729	0.6
123.04530	6.6
125.02469	0.5
129.01891	0.5
133.01436	100.0
134.01776	1.7
134.03732	1.5
135.04527	23.9
136.04872	1.2
152.10774	0.5
153.05580	12.1
153.06746	0.8
154.05981	0.5
159.87831	0.4
161.02466	1.1
161.86450	0.5
173.04666	0.5
177.01955	1.4
179.03503	23.8
180.03763	0.9
191.05603	0.9
203.07135	0.4
205.03313	0.5
289.07028	0.6
295.04617	4.0
323.13541	0.6
357.11850	2.1
563.10211	0.6
619.92957	0.5
648.67743	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55766	0.3
59.01377	100.0
60.01713	0.8
61.98826	1.2
66.00954	0.3
69.83986	1.3
72.24133	0.3
78.95904	14.4
103.31183	0.3
149.00142	0.5
205.15962	1.2
285.12613	0.7
317.92670	0.3
379.99011	0.3
447.13382	0.7
543.68274	0.3
653.30316	0.6
695.31110	53.3
696.31506	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	695.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01157	1.4
59.01380	15.0
59.09984	2.1
60.82776	1.7
61.98811	7.0
71.01363	7.2
71.50699	2.6
73.02944	3.2
77.22714	1.8
83.05007	1.9
85.02957	2.7
87.00846	2.3
101.02430	2.3
103.43204	1.8
107.18558	1.6
113.02393	2.2
120.00298	1.7
147.04375	1.9
151.07626	6.5
165.12810	3.9
166.67226	1.7
181.12283	4.8
183.13889	17.2
194.88960	1.8
203.10492	7.1
205.12045	2.2
219.10036	2.6
223.13170	27.1
231.09895	2.8
235.09424	6.1
237.11070	13.0
249.11066	75.1
250.11343	5.1
256.19421	1.7
263.12619	2.0
264.98477	1.6
267.12155	19.1
281.09875	2.1
367.97598	1.8
371.55103	2.0
653.39166	3.5
673.55792	1.9
695.32397	100.0
696.32544	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	695.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15593	0.3
59.01378	1.2
61.46607	0.2
68.85297	0.2
71.01376	0.7
85.02947	6.7
87.00889	1.7
92.64750	0.3
93.03460	2.5
109.02936	0.5
111.04523	0.9
114.88812	0.3
115.00416	0.6
127.04006	1.7
133.01476	0.4
133.02954	0.9
135.04520	1.9
161.02426	1.7
171.02942	0.4
173.04532	1.1
177.01797	0.3
179.03493	1.3
191.05612	100.0
192.05949	4.1
225.04042	0.3
230.24367	0.3
230.26875	0.3
282.17142	0.3
341.08618	0.4
351.07028	0.3
353.08740	12.7
353.13110	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	695.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.3
67.01901	0.3
69.03443	0.2
70.63156	0.3
70.63489	0.2
71.01385	0.7
74.36134	0.2
83.05013	0.3
85.02954	6.1
87.00878	1.2
93.03455	2.5
109.02964	0.4
111.04504	1.0
111.31703	0.2
127.04037	1.4
133.02946	0.7
135.04561	1.2
155.03551	0.2
161.02444	2.0
171.02963	0.5
173.04514	1.6
179.03494	1.2
191.05617	100.0
192.05988	3.1
262.64703	0.2
272.68680	0.2
299.94250	0.2
351.07214	0.3
353.08746	15.5
354.08975	1.5
679.70386	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.1
59.01114	1.3
59.01380	17.1
61.98813	3.3
65.00333	1.3
69.03430	2.1
71.01373	6.1
72.99292	1.7
73.02934	2.6
74.53005	0.8
75.00862	4.8
80.32755	1.0
83.01381	1.4
85.02937	1.7
87.00856	0.8
89.00338	6.4
89.02420	2.0
89.10059	0.9
92.99808	1.2
93.03470	1.0
93.64960	0.9
95.01395	1.1
95.17356	0.9
96.95982	1.5
98.20645	2.5
101.02430	2.7
113.02428	1.7
121.02959	1.1
123.00905	1.0
124.01637	1.4
125.02491	1.1
133.02940	1.2
135.00885	1.0
135.04506	1.1
137.02428	1.2
139.04005	1.4
146.03716	1.0
148.01672	4.2
148.98854	0.9
149.02435	1.9
151.00388	1.1
158.03651	1.6
159.04468	1.8
161.02438	1.4
161.99629	0.9
165.01807	1.1
170.03714	2.6
173.02327	1.1
174.03169	2.4
176.98288	10.3
177.01932	1.3
178.99820	1.0
179.03520	1.1
183.04482	1.6
185.00813	1.8
186.03128	4.5
188.98224	1.7
194.42183	0.9
197.02510	1.8
198.03152	5.7
201.01939	5.5
211.03981	2.4
213.01886	3.8
214.02644	13.3
225.01913	1.7
226.02640	3.0
227.03430	3.3
237.00047	2.0
237.01965	3.5
241.01375	2.9
242.02190	27.6
243.02698	2.7
253.01427	3.6
254.02431	1.0
255.02950	4.2
257.00909	1.2
269.00891	6.1
270.01657	19.0
271.02420	6.3
281.00885	7.1
282.01483	1.1
283.02426	2.2
285.00378	3.8
297.00406	5.1
298.01135	23.1
299.01779	9.4
309.00504	1.0
310.00626	1.5
313.03418	1.2
326.00638	97.9
327.01370	50.3
328.01761	3.6
341.02936	1.8
358.03168	1.6
365.75827	0.9
385.27850	0.9
386.02744	65.0
387.03442	27.9
388.03671	1.9
507.27960	7.1
538.65448	1.0
549.28900	2.6
550.29010	1.6
612.01862	1.0
633.35168	1.2
635.12421	18.0
636.12567	2.0
651.35986	3.2
663.12164	7.4
667.14789	1.0
695.14563	100.0
695.34277	3.5
696.14752	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.5
57.03448	20.4
59.01374	5.7
59.25983	1.9
65.00792	2.0
69.38833	3.8
69.39245	11.0
71.01386	17.4
73.07872	1.6
77.19646	1.8
83.01387	12.4
84.02171	2.4
85.02948	100.0
86.03293	2.3
87.00896	4.8
101.02442	7.3
105.03460	3.5
109.02940	2.5
111.00878	36.4
115.00368	22.1
123.04470	2.1
129.01939	53.3
133.01424	44.7
133.02954	14.0
134.03712	8.0
135.04510	14.9
146.65993	1.9
149.06070	3.4
151.00443	2.1
161.04564	5.8
175.02505	12.8
177.01923	12.3
178.02583	2.7
179.03506	13.8
187.02444	4.3
191.05553	8.9
193.05003	14.7
205.03523	53.7
223.04584	32.0
236.55009	2.0
285.04053	5.7
286.22122	2.1
373.17755	2.1
399.09341	29.9
400.09601	4.0
489.10416	3.2
591.09332	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	695.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	4.1
59.78986	0.8
60.10849	0.8
61.98833	1.8
65.00316	4.1
69.82740	3.3
69.83161	1.8
71.01377	2.7
73.02933	1.1
75.00881	1.8
78.97749	1.0
80.91268	0.9
88.98814	1.6
89.00337	10.4
89.02438	1.2
93.03466	0.9
94.32442	0.9
96.96010	1.0
98.20697	1.0
101.02427	1.7
108.31189	0.9
121.02888	1.2
124.01683	1.0
130.18724	0.9
133.01434	1.1
133.02983	1.3
137.02525	0.9
148.01665	4.4
149.02438	0.9
151.00366	4.4
152.01074	1.0
160.98683	1.1
161.99628	1.8
163.00409	1.4
170.03706	1.3
171.04472	1.3
173.02422	1.8
174.03207	1.3
176.98280	19.0
177.01915	1.0
178.99846	0.9
179.03493	1.8
183.04482	1.0
185.02422	1.2
186.03154	1.3
188.98299	3.2
189.01920	1.2
189.99115	8.1
190.02875	1.3
190.99841	1.2
198.03197	6.1
199.03957	1.7
201.01898	7.5
204.97781	1.6
208.09238	0.9
209.02425	0.9
211.04121	1.1
213.01991	1.9
214.02701	4.9
215.03242	1.2
216.97832	1.3
217.98538	1.1
225.02003	1.6
226.02687	6.3
227.03488	7.3
229.01326	1.2
237.00369	7.5
237.02094	4.3
242.02158	14.3
243.02788	2.1
250.01079	1.8
253.01430	4.5
254.02168	2.2
255.02927	11.4
269.00848	7.5
270.01645	8.4
271.02408	7.0
281.00903	33.2
282.01517	5.2
283.02417	3.1
297.00513	7.5
298.01169	13.0
299.01892	8.0
300.02621	1.9
301.03604	1.0
315.05048	1.6
326.00677	32.0
327.01434	35.2
328.01849	3.6
329.02859	1.1
342.03665	1.2
354.00186	1.3
355.01044	7.8
358.03284	7.8
359.03940	1.0
386.02780	74.1
387.03510	73.0
388.03970	4.9
591.37555	1.3
635.12463	13.6
642.51746	1.0
651.35925	1.8
663.11841	8.0
695.14606	100.0
696.14819	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	693.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71712	0.7
55.78253	0.7
59.01379	100.0
60.01719	0.7
61.98827	3.6
63.13019	0.7
71.49706	0.6
71.50137	0.8
78.95916	2.7
83.05027	1.1
104.23368	0.7
116.92885	1.1
129.58084	0.7
152.99687	1.0
180.89995	0.7
196.89549	0.8
217.16127	0.8
277.21823	0.8
325.21912	1.3
334.34644	0.7
343.22961	0.9
391.26462	5.5
392.26730	0.8
409.27444	7.5
410.27899	1.3
438.80386	0.8
693.20941	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10578	0.3
57.03423	0.7
59.01377	100.0
60.01704	1.3
61.98832	1.2
71.41982	0.6
83.05035	0.7
87.03478	0.3
90.31450	0.3
97.33325	0.3
107.05072	0.4
109.06614	0.4
159.04547	0.5
201.08159	0.3
203.03471	0.4
211.29506	0.3
258.07068	0.3
269.04440	0.3
283.20728	0.5
365.24881	0.6
383.25992	0.7
389.65457	0.3
391.26410	5.1
392.26852	0.7
408.26776	0.4
409.27411	6.0
410.27988	0.8
578.27649	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01720	1.5
61.59924	0.7
61.98833	2.6
69.96645	0.7
71.49265	1.1
78.95909	1.7
82.05619	0.6
89.01764	0.6
91.53300	0.6
94.21040	0.7
94.76849	0.6
107.05035	0.6
109.59128	0.7
179.89156	0.8
277.21774	0.7
325.21866	1.1
391.26428	6.3
409.27536	10.9
410.27985	1.6
520.43610	0.8
670.16046	0.7
693.20355	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	693.3858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09045	0.8
51.64104	0.7
58.00600	1.4
59.01377	60.0
59.14588	0.8
61.98824	6.6
67.90103	0.9
69.40173	5.2
69.40580	1.7
71.01379	30.0
72.99305	3.2
73.02931	2.3
83.01375	2.2
85.02947	6.7
87.00876	1.5
88.98798	1.2
89.02442	21.0
92.61893	0.9
95.01382	2.1
96.95977	1.8
98.20679	1.8
99.00806	0.9
99.92627	1.2
101.02436	15.1
113.02473	10.0
116.92831	3.7
119.03494	7.1
161.04546	1.8
293.21146	3.2
294.21515	4.1
295.21808	1.8
347.92255	0.8
349.60379	0.9
398.13474	0.9
399.13684	0.9
431.72345	0.9
631.20001	2.0
633.38892	2.8
649.36328	1.1
693.38495	100.0
694.38684	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	693.4365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55699	0.7
56.38141	0.7
59.01378	100.0
61.98837	3.0
71.22724	0.6
71.50481	1.0
72.99308	1.0
88.98825	1.3
108.89058	0.6
109.06615	0.7
210.19281	0.7
217.16002	0.8
225.99443	0.8
391.26468	8.8
392.26578	1.5
409.27411	12.0
410.27902	0.7
554.19775	1.3
630.21454	5.6
631.22083	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.6
58.90445	0.4
59.01378	80.9
60.01720	1.0
61.98832	1.5
69.03458	0.6
69.57258	1.2
69.57684	1.2
71.01398	2.8
73.02950	1.6
75.00878	0.8
81.03437	0.5
85.02973	0.5
89.02464	0.5
95.01334	0.4
101.02447	1.7
113.02483	0.7
125.02469	0.7
141.12769	0.5
143.03549	0.5
185.11801	0.4
201.02054	0.7
230.46069	0.4
243.19769	0.4
311.22522	0.5
311.25909	0.9
313.23779	3.8
314.23853	0.4
323.25851	0.5
327.25275	0.5
339.25314	0.7
341.26932	27.6
342.27203	3.0
355.28394	0.5
359.28003	22.8
360.28378	2.2
373.29602	2.7
383.28131	0.7
397.29285	1.9
401.29044	100.0
402.29398	10.9
415.30496	1.5
443.30167	2.4
444.29965	0.4
455.30124	0.5
633.38861	1.6
649.37555	0.7
651.40002	0.9
693.41260	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01901	0.4
57.03454	0.9
59.01379	81.7
60.01720	0.5
61.98829	2.8
69.56351	0.8
69.56773	1.3
70.92834	0.3
71.01385	4.6
73.02947	2.4
75.00890	0.5
83.01390	0.5
85.02974	1.1
89.02448	1.0
90.86597	0.3
96.96005	0.5
98.20724	0.6
99.00865	0.6
101.02454	2.1
104.30798	0.3
113.02446	1.8
115.00343	0.3
119.03516	0.6
125.02440	0.6
127.11336	0.4
148.10509	0.4
159.04504	0.4
161.04558	0.4
185.11774	0.5
201.01978	1.0
242.20937	0.4
290.33362	0.3
311.22433	0.5
311.25989	1.0
313.23843	2.9
314.24103	0.4
323.25800	0.9
339.25241	0.4
341.26947	28.6
342.27219	2.7
359.28000	24.5
360.28409	2.8
373.29608	3.0
383.28061	0.5
397.29642	1.8
401.29050	100.0
402.29385	10.4
415.30676	1.4
443.30225	2.8
615.39673	0.5
633.39502	2.4
649.37262	0.6
651.39966	1.0
651.72363	0.3
693.41351	0.5
694.41412	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	6.4
63.29161	1.9
63.84808	2.0
66.13515	2.0
69.53109	8.8
69.53532	5.2
71.01385	3.9
76.52107	2.1
96.96002	9.7
98.95579	4.9
101.02434	3.2
101.39584	2.2
122.06113	5.6
134.03693	2.9
160.03964	2.5
196.96085	2.1
204.06613	3.0
209.21378	2.0
211.05116	2.4
212.05992	2.5
226.11008	2.0
227.12021	1.9
238.07474	3.3
239.08221	7.6
251.08351	2.5
251.12013	3.4
253.09833	9.8
254.10356	2.1
263.21024	2.3
265.06113	3.3
266.06982	4.4
267.07724	8.6
267.11295	5.1
279.07727	4.7
280.08521	6.8
281.09293	10.5
283.10797	5.1
295.10861	22.2
296.11469	6.9
298.09430	4.9
299.10422	2.8
300.10898	3.9
311.10278	8.3
312.10794	2.9
313.11884	4.2
327.09842	3.7
327.13458	5.1
339.09732	3.3
340.10352	2.8
341.11438	3.7
346.15482	3.2
348.13440	2.3
351.12100	7.5
362.15070	3.9
376.16724	3.6
388.12814	3.7
390.14441	13.1
392.12018	3.3
394.17722	3.8
402.14456	4.1
404.16135	8.0
406.14029	8.4
407.14670	7.0
420.15652	16.8
422.17209	2.3
424.14905	3.5
435.17938	7.3
436.18488	3.1
438.16650	7.3
439.17438	3.4
448.14862	3.3
452.18219	4.4
464.14526	5.0
466.16095	2.3
479.16806	5.7
480.17676	4.9
489.99188	2.3
496.17209	8.2
510.18655	4.9
511.19553	75.3
512.20172	18.9
543.18677	2.5
549.25604	5.0
633.25238	10.6
643.23883	8.9
646.07495	2.3
661.25482	3.2
675.26660	100.0
676.26538	17.2
693.27826	58.9
694.28461	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	693.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55780	0.8
59.01379	11.2
61.98821	3.6
64.30132	1.0
66.17188	0.9
69.01744	0.9
71.50468	1.8
74.66209	0.8
78.95907	1.2
90.57425	0.9
105.90798	0.9
134.91882	0.9
139.31245	1.0
274.93091	1.0
281.05618	1.0
425.16336	1.1
480.13992	1.8
496.13995	4.9
497.14337	1.3
510.15714	1.4
512.16919	1.3
544.16162	2.5
545.16705	1.3
571.18353	1.4
597.19946	1.8
598.20148	1.1
599.21594	5.5
600.22052	1.9
630.22742	3.5
633.17603	1.8
643.20276	1.4
657.21979	23.2
658.22473	4.8
658.66101	1.1
693.19739	100.0
694.20056	25.2
694.31812	1.8
722.38715	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87060	0.4
59.01366	2.0
62.27652	0.4
69.36286	3.5
71.01366	1.3
84.68706	0.4
85.02953	3.7
87.00870	0.8
89.03974	1.4
93.03458	2.8
105.03461	3.1
109.02910	1.1
110.05147	0.4
111.04468	0.5
115.00356	1.6
119.05066	0.5
127.03990	1.2
133.01443	3.8
133.02968	9.9
135.04533	2.5
149.02405	0.8
161.02441	0.9
173.04550	1.8
176.01170	1.3
177.01923	100.0
178.02252	4.8
179.03525	2.0
191.05609	49.6
192.05920	1.7
215.05574	1.1
218.55788	0.4
253.39806	0.5
339.07169	40.9
340.07660	2.9
340.11160	0.4
351.07263	2.2
353.08734	6.4
354.09082	0.5
564.05518	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87539	1.5
59.01375	7.8
59.93254	1.5
61.98816	3.5
62.39460	1.4
71.01376	2.0
72.82433	1.6
72.82814	1.6
78.95901	2.1
82.10438	1.5
100.59081	1.8
179.03419	3.4
221.30386	2.0
255.71771	1.9
287.94952	1.9
496.13962	2.1
511.15964	2.6
599.21136	5.1
657.21692	15.2
658.22290	5.1
693.19720	100.0
694.19940	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	691.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.7
58.00588	0.8
59.01378	17.6
61.98825	0.8
69.03454	1.3
69.78345	0.7
69.78754	1.3
71.01381	12.0
72.99304	1.2
73.02949	2.7
81.03480	0.5
83.01367	1.4
85.02936	2.6
87.00871	3.1
89.02444	11.2
93.31927	0.3
95.01373	0.9
96.53410	0.3
97.02959	1.6
99.00872	1.1
101.02438	10.0
111.04524	0.7
113.02445	5.4
119.03512	3.1
125.02455	3.0
131.03453	0.8
137.73570	0.4
143.03505	1.6
149.04489	0.5
161.04552	2.3
177.87154	0.4
179.05640	2.6
183.10262	0.9
195.13899	7.2
196.14465	0.8
205.12270	0.7
221.06589	0.7
223.13374	4.1
224.13857	0.6
235.08212	3.7
253.09178	1.0
256.13098	1.1
263.07651	0.5
275.20102	3.9
279.79349	0.4
293.21216	100.0
294.21570	7.6
305.08807	0.8
379.12720	0.4
397.13483	21.7
398.13776	2.1
415.14551	23.8
416.14920	1.5
543.09845	0.4
655.36945	0.4
691.36523	0.7
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
59.95571	1.2
60.45312	1.1
61.98802	1.5
65.64250	1.2
69.84003	6.3
78.95904	65.6
88.21570	1.2
96.96954	7.0
98.19964	1.3
111.08138	2.3
122.97619	1.2
132.63586	1.0
133.54247	1.1
152.99579	100.0
165.12834	34.7
166.13174	2.0
167.53882	1.1
171.00626	9.1
178.81467	1.1
183.13887	97.6
184.14178	5.7
191.10670	1.2
207.02121	1.1
209.11772	4.9
227.03169	5.4
227.12856	29.4
228.13139	1.8
245.04324	1.3
253.21686	1.4
275.35229	1.3
345.11047	1.5
363.12173	7.2
409.18591	1.2
425.10696	1.1
437.15775	24.8
438.16022	2.5
455.16815	83.9
456.17239	6.4
535.06946	1.3
691.38220	78.3
692.38593	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	691.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96125	0.5
56.82500	0.5
59.01377	7.6
59.54248	0.6
60.99007	1.1
60.99306	18.2
61.98829	1.1
64.29553	0.6
69.06364	0.5
70.71519	1.1
71.01391	0.9
71.14928	0.5
78.95914	0.8
88.00408	1.8
88.98810	100.0
89.02452	6.1
89.99107	0.8
152.99579	1.0
163.75017	0.5
208.13493	0.6
272.47455	0.5
277.21725	1.8
277.71747	0.6
278.22363	0.6
341.11099	0.7
404.45435	0.6
552.19604	1.5
628.21027	6.7
629.20758	1.1
691.22516	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48072	1.1
57.03428	1.6
59.01377	29.8
60.17739	1.0
61.98831	12.4
65.00327	2.9
69.45435	3.1
69.45854	4.7
71.01378	10.1
73.02946	4.3
75.00890	1.8
83.01382	2.6
85.02953	1.8
87.00878	2.4
87.53735	1.3
89.02432	5.8
93.70714	1.0
95.01376	3.5
95.06195	1.1
97.02929	3.0
98.19987	1.9
99.00899	1.3
101.02447	6.4
108.02159	1.1
113.02455	4.1
114.18285	1.1
116.92834	1.2
119.03482	2.2
121.02964	1.2
125.02419	1.8
136.01611	1.5
139.04074	1.6
153.25316	1.0
159.04507	1.4
161.02406	1.2
161.04568	1.1
164.01132	3.8
165.01941	16.5
166.02641	2.0
169.53833	1.0
175.04015	1.1
176.01173	1.2
178.02672	7.1
179.03488	16.4
179.05101	1.2
179.05710	1.4
181.04959	2.2
183.14001	1.3
189.09187	3.3
191.03514	2.4
196.00241	1.4
201.01944	2.2
202.09952	7.7
203.10692	3.1
209.11736	2.5
210.01700	14.8
211.13251	1.2
228.07674	1.3
253.09592	1.2
284.03168	1.7
293.21130	1.5
307.05923	1.2
316.99600	2.0
335.09265	2.1
350.11606	3.5
351.12177	1.8
353.10306	4.7
365.13797	11.0
367.11716	5.1
368.12616	10.9
369.13004	1.5
383.14954	100.0
384.15240	9.0
425.16379	1.3
618.95398	1.3
631.37170	4.3
647.33563	1.9
649.38483	2.6
691.25916	27.0
691.37653	1.9
692.26489	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	691.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	13.9
61.98827	1.8
65.89927	1.5
69.33816	11.2
69.34217	3.1
71.01367	2.2
80.05054	7.1
85.02946	2.0
94.03016	3.3
94.06609	2.5
96.04536	2.2
104.05064	2.9
106.06631	2.5
108.04543	8.4
120.04552	51.4
120.08218	2.7
122.02519	1.8
122.06123	14.5
124.04008	2.6
127.07674	3.1
132.04556	4.2
135.04541	2.8
136.04048	9.8
137.04822	3.5
138.05618	17.8
147.05608	4.4
148.04053	3.5
150.05602	33.3
152.07146	6.4
158.02521	2.5
160.04008	2.3
162.05580	2.1
168.06688	14.6
174.05542	7.7
175.05132	2.7
176.03571	1.8
176.74872	1.9
179.03439	3.0
186.09343	2.2
190.05022	3.9
201.10384	15.7
211.08765	2.0
212.10912	1.9
213.10306	14.8
214.10733	2.0
223.08760	2.2
224.09355	2.2
227.11920	5.5
229.09822	23.2
229.13406	8.7
230.09862	2.1
231.11406	2.4
237.10376	3.7
239.11813	10.2
241.09895	3.8
243.11377	3.6
245.12958	2.1
247.10942	3.1
249.06474	2.1
253.09804	2.3
255.11418	10.0
257.12915	7.4
261.06543	1.7
261.12515	4.2
263.08124	2.2
265.09689	4.8
267.11172	2.3
273.12540	8.3
279.30566	1.6
281.09448	3.7
283.10947	2.4
287.84039	1.9
289.11905	5.7
291.07565	2.7
293.09290	3.2
297.12485	2.6
301.11938	23.4
309.08475	2.6
309.12308	2.7
311.10400	8.8
317.11566	3.0
319.12958	95.5
320.13254	9.0
321.08612	3.3
323.10123	2.7
327.13025	6.9
329.11368	2.2
339.09808	13.8
341.11526	3.8
353.11301	3.4
358.11810	2.3
362.14645	2.3
371.12421	8.1
372.13254	4.2
374.15143	13.3
386.15186	2.8
391.15457	2.3
392.16165	15.1
393.16345	1.9
398.15091	2.0
404.16296	2.6
416.16284	10.3
418.14279	3.4
428.16016	2.5
432.15643	3.8
434.16870	9.9
537.21509	3.3
555.22290	7.0
567.22552	3.1
573.23254	14.5
574.23999	2.9
581.20544	2.7
585.23492	21.3
597.23547	29.2
598.23669	5.3
599.21179	2.7
611.21820	2.8
615.24438	41.8
616.24524	6.9
629.22437	19.7
630.22778	2.5
641.22498	42.1
642.22742	8.6
659.23572	100.0
660.23956	17.6
661.25317	9.5
673.25140	16.3
674.25311	3.4
691.25995	45.1
692.26538	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	691.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84761	0.7
53.94878	0.5
59.01373	1.4
71.01379	2.9
71.49910	0.6
72.34962	0.5
82.53764	0.5
86.75887	0.5
108.02175	27.4
109.02507	0.8
115.00378	4.4
123.04533	10.1
124.04803	0.5
124.34306	0.5
133.01419	8.8
135.04514	2.0
139.26857	0.5
149.05983	0.6
152.01152	56.4
153.01474	1.9
167.03491	100.0
168.03806	3.5
171.06477	0.5
179.03578	0.5
191.05556	1.1
325.10803	0.9
451.06204	0.6
575.14423	1.5
647.22015	4.0
648.22046	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11893	0.6
59.01367	1.9
60.99306	3.2
61.98833	9.1
66.54463	0.5
66.80189	0.6
68.29088	0.5
73.02945	1.1
80.96516	1.1
87.00885	1.6
88.00411	3.7
88.98270	1.2
88.98805	16.5
89.02444	1.0
98.20671	1.5
112.15951	0.6
273.48004	0.7
277.21915	0.8
299.04440	1.4
352.09872	0.7
438.13068	1.4
452.14709	2.7
465.15176	0.7
481.14978	4.8
482.15036	0.8
495.16794	11.1
496.17053	2.2
508.17239	1.3
509.18301	1.5
512.13098	1.7
522.15607	1.0
526.14917	0.9
535.16174	1.1
536.16895	2.2
540.16718	2.9
551.19354	28.0
552.19696	6.9
553.17993	0.9
554.18970	3.6
555.18927	0.6
572.15485	2.9
586.17078	2.3
595.18378	3.8
596.18109	0.8
627.20966	100.0
628.21143	24.2
630.20850	4.6
714.94556	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88834	1.6
51.04918	1.5
55.22427	1.5
59.01372	7.7
63.31501	1.4
71.01381	21.2
71.49892	1.9
71.65693	1.6
72.99297	2.7
82.65858	1.8
89.02450	3.9
96.96051	1.8
101.45507	1.7
108.02175	12.0
109.02974	3.7
115.00366	36.6
119.24588	1.9
121.02929	2.4
122.03661	1.6
123.04559	7.8
125.02366	1.9
133.01431	45.2
133.02953	3.2
134.03806	2.4
135.04523	32.5
136.04871	1.8
137.02417	2.2
145.03062	1.8
146.03792	2.7
147.04518	4.7
149.02444	2.5
150.03217	12.3
151.04031	3.3
152.01146	26.4
159.04527	18.1
160.04942	2.6
161.02466	2.4
163.03934	2.5
165.05569	30.7
167.03484	48.9
174.03276	2.2
175.04019	2.4
176.01137	7.1
177.01938	32.7
179.03510	20.4
180.03793	1.4
187.03877	2.3
189.01932	10.8
189.05534	3.6
191.03539	4.4
193.05029	1.8
199.04021	1.7
201.01924	5.4
214.02611	1.7
223.07657	2.9
227.03490	3.6
249.05595	1.7
249.09158	2.4
251.07211	4.8
265.08612	1.7
267.06573	9.7
277.05045	3.7
278.05795	2.1
281.08160	5.2
282.08987	5.5
291.06601	2.0
293.04709	2.3
293.08221	6.1
295.05997	8.8
309.07739	6.5
310.05054	2.7
310.08481	36.1
319.06012	2.5
321.04050	12.7
325.10822	26.1
335.05640	8.1
336.02325	3.5
336.06369	64.7
337.07086	19.3
349.15192	1.9
351.08707	82.7
352.09106	6.0
369.09741	10.0
381.06235	3.2
395.07684	6.3
409.99307	1.7
413.08749	45.2
414.09171	4.0
531.14862	5.6
575.14001	100.0
576.14404	13.0
647.21918	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	689.3881
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17548	0.7
57.03449	1.1
58.02975	0.9
59.01378	9.7
61.98821	2.6
62.01912	0.8
69.03455	1.3
71.01389	3.8
71.02499	3.0
71.38332	1.1
73.02946	1.5
74.02472	17.5
80.05064	0.9
82.02970	0.9
83.01378	1.0
89.02444	2.3
95.01323	0.8
96.95986	1.2
101.02437	3.3
101.07196	1.4
109.04110	1.5
111.02020	1.1
112.02754	1.9
113.02451	1.8
115.00383	2.2
119.03542	0.8
123.03260	1.5
126.09241	1.2
127.05145	9.5
128.03563	6.0
129.10345	9.2
130.08733	2.6
133.01411	2.9
135.04532	1.4
137.38287	0.8
138.24710	0.8
139.05115	1.3
140.07146	2.7
143.11900	11.3
146.06104	1.3
147.04506	1.8
153.10303	2.9
155.08229	1.8
164.07182	2.2
165.05479	2.2
169.09839	1.5
179.11879	4.6
180.10263	3.4
187.10854	3.1
193.05058	0.8
195.11377	1.4
195.14926	1.2
197.16559	1.8
207.14990	1.3
220.00511	0.9
221.16628	1.9
222.12468	17.3
223.10837	2.2
223.12871	0.9
225.16063	1.8
240.13496	11.5
242.18736	0.9
248.13814	1.1
256.20273	12.4
274.12180	1.2
343.21585	1.4
353.22159	1.8
369.19168	1.9
369.28726	5.3
405.21384	1.7
405.28745	2.1
411.22385	1.0
457.14545	2.2
480.31949	2.5
524.31018	3.2
613.23163	1.6
614.35883	1.6
623.03668	0.9
627.38153	0.9
653.36761	2.8
657.22217	1.0
671.37677	18.2
672.38062	3.1
689.38776	100.0
690.38922	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	689.375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.8
57.03432	3.4
58.00586	2.9
59.01376	100.0
60.01721	0.8
61.98828	8.1
69.03444	3.5
69.31180	2.2
69.31603	5.2
71.01375	54.2
72.99300	3.8
73.02943	10.2
75.00881	1.1
82.95426	1.1
83.01383	5.8
83.05044	2.4
85.02944	18.5
87.00870	5.0
88.98813	0.7
89.02439	37.3
90.02760	1.2
95.01366	5.2
96.95986	2.4
97.02970	2.0
98.20676	1.6
99.00881	3.8
99.04504	1.0
101.02440	28.0
104.55099	0.9
111.00891	1.0
113.01631	1.6
113.02438	31.6
114.02731	1.1
116.92889	1.9
119.03504	16.2
124.01707	1.5
125.02426	3.6
131.03473	1.9
133.01419	1.5
134.06168	1.0
135.70073	0.9
143.03493	5.7
149.04561	1.3
159.03059	0.9
161.04547	8.2
171.10219	2.0
179.05577	6.8
183.13853	2.3
185.00917	1.7
186.10129	1.0
189.11148	0.8
192.77727	0.8
209.11906	1.0
213.72617	0.9
315.79626	0.8
326.78342	0.9
332.96021	0.9
467.30066	4.7
468.17188	1.3
485.31149	4.2
510.54742	0.8
523.29218	1.1
585.36487	2.3
629.35315	46.3
630.35590	7.8
645.37482	1.2
647.36407	47.7
648.36823	10.2
679.66992	0.8
689.37592	9.9
690.37292	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	689.208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56546	1.4
59.01374	12.3
61.98825	4.6
63.67639	1.3
66.29517	1.4
71.01383	4.5
76.08202	1.6
82.00625	1.4
87.00848	1.5
96.96050	1.9
98.20760	3.0
101.02441	1.8
109.02979	1.9
110.38685	1.6
121.02953	13.8
127.03944	2.3
149.02464	1.9
157.02905	2.9
163.65051	1.5
175.00346	6.2
201.01926	38.1
215.03452	1.7
229.01399	3.1
229.04909	1.9
231.06635	7.3
283.02405	3.4
288.85757	1.6
295.02649	4.3
323.05603	5.6
325.03497	4.2
335.09116	2.4
351.05042	31.6
351.08609	2.7
352.05518	2.8
380.08984	62.4
381.09698	40.5
382.10110	4.7
383.14810	2.0
464.41693	1.6
637.77051	1.7
689.20856	100.0
690.21100	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	689.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.9
59.01381	7.2
70.41424	0.8
70.41774	1.9
71.01376	5.2
72.99345	0.6
77.46798	0.6
79.50049	0.6
83.01387	0.9
85.02942	1.5
87.00890	1.7
89.02454	3.2
95.01397	0.8
95.81299	0.7
97.06610	0.6
101.02441	4.3
111.08151	1.0
113.02460	2.5
118.24966	0.5
119.03452	1.0
140.78345	0.6
145.05054	0.7
161.04514	1.3
163.11320	0.8
165.12854	9.5
167.14363	0.7
170.53957	0.6
181.12254	0.5
183.13904	100.0
184.14211	4.4
193.12320	1.7
209.11874	2.5
211.13393	86.8
212.13734	4.7
215.12834	1.4
227.12885	5.4
235.08224	2.5
253.09273	6.4
419.23306	0.8
445.20743	2.1
447.22485	2.0
463.21835	3.6
657.34912	89.7
658.24872	1.1
658.35278	14.1
689.37573	8.6
690.38031	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	688.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37143	0.1
57.41010	0.1
57.90448	0.1
61.98831	100.0
62.38053	0.1
62.98526	0.1
65.34620	0.1
73.45880	0.1
81.51186	0.1
98.20656	0.3
100.10772	0.1
105.49375	0.1
123.73004	0.1
130.04268	0.2
159.04504	0.7
203.03511	0.9
304.36234	0.1
424.93719	0.1
507.52042	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	689.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.9
61.37447	0.5
69.99516	1.9
71.01383	12.0
71.53669	0.4
72.99303	0.6
73.02959	0.6
73.34433	0.6
78.95965	0.5
81.77422	0.5
93.03416	0.6
98.19962	0.6
113.02440	0.7
115.00372	9.2
119.05035	44.6
120.05367	1.2
124.52724	0.5
130.04248	0.9
133.01436	16.1
135.04486	0.7
151.00334	0.7
159.04532	8.4
161.02455	16.7
162.02769	0.8
163.04019	100.0
164.04350	4.3
203.03525	5.5
279.05069	4.1
301.03619	0.7
357.02353	0.6
689.09381	1.0
689.19708	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.323
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20081	1.0
57.03431	3.0
58.00579	3.0
59.01376	100.0
61.98819	2.9
69.03477	1.1
69.15218	0.9
70.65492	2.3
71.01379	54.2
72.99302	4.8
73.02942	26.1
75.00871	1.6
83.01375	8.1
85.02950	12.9
87.00871	3.3
89.02438	43.2
95.01374	4.3
96.95990	3.1
97.02938	1.8
99.00880	2.0
99.04489	1.4
101.02436	39.7
102.02776	1.1
113.02443	29.6
115.00351	2.6
115.91996	1.5
116.92857	3.3
119.03510	16.8
123.04539	2.0
125.02397	2.2
131.03490	3.8
133.01405	4.3
135.08138	2.0
143.03474	6.8
149.04546	5.3
150.06847	4.7
159.04433	5.1
161.04555	12.1
173.06049	2.2
175.04500	1.0
179.03365	1.4
179.04013	1.0
179.05615	13.0
179.10757	1.8
203.05508	1.8
220.07181	1.3
221.06548	2.4
269.08322	1.9
303.42691	0.9
319.09708	5.0
329.14191	1.3
341.69449	1.0
345.22900	1.3
455.13199	2.5
479.33887	1.5
525.34222	2.6
583.31445	1.8
601.32501	3.2
627.37640	1.8
645.37305	1.7
687.39764	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	687.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
61.58151	0.8
61.98833	60.6
62.93616	0.8
71.41357	1.5
72.57304	0.7
82.66755	0.8
85.36217	0.8
98.20612	0.8
108.38023	0.8
116.92942	1.1
118.44365	0.7
118.50443	0.9
149.23811	1.0
240.50064	0.8
279.23322	1.1
319.89331	0.9
344.23669	0.8
377.18250	0.8
378.32285	1.1
392.15973	0.8
466.62662	0.9
467.17349	6.2
468.17813	2.1
481.18808	1.9
483.20151	2.4
507.43558	0.9
526.18762	2.4
540.20251	1.4
541.20917	27.0
542.21533	5.4
558.17664	6.0
572.18982	1.4
621.63446	1.0
627.24524	10.0
628.24921	1.8
687.26740	26.4
688.27417	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	687.323
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82473	1.1
57.03438	5.2
58.00589	3.8
59.01379	100.0
61.98834	9.2
69.03474	2.1
71.01381	53.1
71.50781	2.3
72.99297	3.5
73.02941	24.5
81.03499	1.7
83.01383	9.1
83.05022	1.6
85.02940	14.5
87.00870	3.8
89.02439	38.4
95.01409	5.4
96.96006	16.6
97.02918	1.6
98.82613	1.3
99.00862	2.7
99.04524	2.6
99.92595	1.7
101.02438	36.5
102.05602	1.5
108.70117	1.1
113.02444	35.9
115.00337	1.5
116.92835	6.7
119.03487	15.6
121.02943	2.2
123.04567	1.4
125.02457	3.1
126.07404	1.1
131.03554	3.5
133.01413	2.4
135.04529	1.4
143.03505	5.3
149.04581	3.7
151.07637	3.0
161.04538	11.8
165.01884	2.0
169.65474	1.3
171.08139	1.2
177.01944	3.0
179.05617	11.7
185.00781	1.7
199.09673	1.5
275.08624	1.2
329.23251	2.3
368.60776	1.3
437.30048	1.5
465.28046	1.9
483.33905	1.4
583.31195	6.8
601.32153	7.5
602.32690	1.7
627.33563	10.2
643.33612	2.0
645.34955	11.9
646.36163	1.9
687.23724	3.1
687.39313	13.7
702.89044	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.7
61.98829	100.0
63.99273	0.9
65.99826	1.3
70.69261	2.1
71.01371	1.3
78.64885	0.9
78.95900	1.3
82.02984	8.9
83.01376	2.1
89.02461	1.0
101.02434	1.6
103.86627	1.2
106.06618	1.9
108.08173	2.4
127.76920	0.9
136.04048	2.3
136.07518	1.0
152.03471	3.1
164.03485	2.2
176.03485	1.2
194.04515	1.5
194.08208	3.2
223.12361	2.4
225.13963	2.2
226.07338	1.6
227.08195	1.6
231.94492	1.0
235.08676	1.1
235.12431	1.1
237.13928	1.3
239.08228	1.6
239.15359	1.2
241.09784	3.3
243.07617	1.0
253.10011	1.3
253.21657	4.0
255.23340	2.5
266.06998	1.3
267.07642	2.2
268.08340	1.7
269.09259	9.7
279.11343	2.8
280.08389	1.8
281.09299	4.8
282.09897	2.5
283.10666	1.6
301.11853	2.9
311.13974	4.2
313.15903	1.0
325.15530	14.9
326.15903	1.5
344.13916	1.3
369.12418	1.5
386.15103	2.2
397.13507	9.0
430.14938	1.2
430.20792	1.7
490.20126	1.5
491.20947	2.4
505.22366	2.5
517.22943	1.3
521.25287	3.5
533.21851	4.5
534.21857	2.0
549.25128	5.6
550.24518	1.4
561.21204	4.5
565.25031	1.4
578.22357	1.7
583.24756	1.5
593.24048	62.2
594.24280	9.5
611.24731	1.9
625.26703	6.9
627.24579	1.1
637.23053	3.5
655.23956	2.8
669.25812	3.5
687.33423	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	686.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.3
61.98833	100.0
69.67651	1.6
74.67507	0.3
78.95900	0.3
82.95451	0.3
90.71501	0.2
147.53531	0.3
279.23340	0.5
280.23776	0.3
281.24860	0.3
282.25647	0.3
412.18146	0.3
544.88959	0.3
626.35968	0.5
652.22491	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.4
61.98829	100.0
69.19238	0.2
69.39662	0.2
71.01388	0.2
71.49616	0.3
78.95878	0.2
82.02985	0.4
82.95433	0.4
87.90338	0.2
106.32615	0.2
135.52301	0.2
194.04706	0.2
194.08299	0.2
222.62387	0.3
269.09314	0.6
277.21786	0.3
279.23395	0.4
280.23462	0.3
281.09329	0.4
310.23114	0.2
325.15814	0.8
397.13928	0.4
430.13470	0.2
459.21310	0.2
521.26031	0.3
533.21851	0.3
536.75201	0.3
546.94574	0.3
583.26337	0.3
593.24127	4.2
593.32886	0.3
625.27246	0.6
626.35535	0.4
637.23718	0.3
687.34210	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12579	0.4
53.01654	0.6
57.01754	0.5
61.98829	100.0
69.59595	0.8
69.60002	2.3
78.72166	0.4
78.95911	1.5
98.64416	0.5
110.98532	0.7
152.99577	0.8
255.23351	1.9
256.23602	0.6
277.21710	2.9
278.22150	1.4
279.23233	2.2
288.52628	0.5
447.25137	0.8
617.62598	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39898	0.2
57.03447	0.6
59.01387	0.5
61.98830	100.0
70.90887	0.5
70.91266	0.4
71.01385	0.7
73.02955	0.2
78.95908	0.5
85.51038	0.2
87.34203	0.2
97.06573	1.1
101.02470	0.5
104.58131	0.2
105.88251	0.2
123.08130	1.0
125.09720	7.6
126.10029	1.3
137.30046	0.2
174.22375	0.2
179.72304	0.2
187.09732	3.2
188.10091	0.4
213.51506	0.2
235.70090	0.2
243.12177	0.2
253.09218	0.2
255.23289	0.7
266.95911	0.2
277.21701	4.6
278.22122	1.6
279.23334	0.4
329.39120	0.2
350.31119	0.2
391.77951	0.2
405.17621	0.6
409.97028	0.2
423.18512	0.5
424.31757	0.2
447.24997	0.4
470.43347	0.2
499.52145	0.2
652.23712	0.3
683.39893	3.6
684.40356	7.1
685.41132	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.8
59.01385	6.3
59.35469	0.6
60.52270	0.7
61.23697	0.7
61.98832	2.9
70.68236	2.0
71.01383	4.8
78.95908	1.7
83.05045	1.0
84.97710	0.9
89.02455	4.6
95.86379	0.7
97.06587	14.1
98.06911	0.9
101.02442	4.3
113.02444	1.8
117.85809	0.7
118.23362	0.7
118.69691	0.7
119.03522	0.9
123.08157	7.4
125.09729	100.0
126.10078	3.3
143.03525	0.7
143.10782	1.8
152.99648	0.9
161.04657	1.2
169.08670	2.5
187.09756	70.2
188.10083	3.0
209.29749	0.7
211.09749	0.9
253.09210	1.6
253.21626	1.1
255.23276	3.0
261.13278	1.0
277.18909	1.2
277.21753	17.3
278.21988	1.9
279.23419	1.1
405.17648	6.3
423.18732	19.5
424.18945	1.5
492.63474	0.8
683.40100	88.7
684.40503	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	683.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.8
59.01385	6.3
59.35469	0.6
60.52270	0.7
61.23697	0.7
61.98832	2.9
70.68236	2.0
71.01383	4.8
78.95908	1.7
83.05045	1.0
84.97710	0.9
89.02455	4.6
95.86379	0.7
97.06587	14.1
98.06911	0.9
101.02442	4.3
113.02444	1.8
117.85809	0.7
118.23362	0.7
118.69691	0.7
119.03522	0.9
123.08157	7.4
125.09729	100.0
126.10078	3.3
143.03525	0.7
143.10782	1.8
152.99648	0.9
161.04657	1.2
169.08670	2.5
187.09756	70.2
188.10083	3.0
209.29749	0.7
211.09749	0.9
253.09210	1.6
253.21626	1.1
255.23276	3.0
261.13278	1.0
277.18909	1.2
277.21753	17.3
278.21988	1.9
279.23419	1.1
405.17648	6.3
423.18732	19.5
424.18945	1.5
492.63474	0.8
683.40100	88.7
684.40503	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	683.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15443	0.4
55.01871	0.5
57.03450	0.9
58.00577	0.7
59.01377	18.5
61.98818	1.3
63.92094	0.3
66.22521	0.4
69.03452	0.5
69.61427	0.8
69.61839	1.9
71.01378	12.0
72.99301	1.2
73.02946	2.6
75.00867	1.9
83.01385	1.7
85.02953	4.1
85.34811	0.3
87.00868	1.2
89.02452	5.8
91.16222	0.3
95.01378	0.8
96.96003	1.6
98.19923	0.5
99.00867	1.2
101.02437	6.9
113.02430	3.8
116.92857	0.6
119.03493	1.4
129.56662	0.4
133.01471	0.5
179.03123	0.4
244.11066	0.4
260.24435	0.4
295.22702	0.5
313.23831	1.3
323.25775	0.6
336.05484	0.4
341.26978	5.6
357.38052	0.4
359.28000	8.3
360.28342	0.8
371.63123	0.4
435.27365	0.6
503.32028	5.2
504.32370	0.6
521.33313	11.4
522.33594	1.1
541.03772	0.4
639.34888	0.8
665.37061	0.5
683.38538	100.0
684.26923	0.8
684.38922	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71446	0.4
54.14072	0.4
55.01878	0.8
55.98272	0.4
57.03452	2.0
58.00583	0.9
59.01384	25.6
61.98837	4.4
69.03470	0.7
69.40106	3.2
71.01386	19.1
71.05035	0.5
72.99315	1.7
73.02955	3.3
75.00893	0.6
83.01394	2.2
83.05052	0.5
85.02959	7.1
87.00877	2.0
89.02451	11.3
93.54206	0.4
95.01396	1.7
96.96004	2.1
97.02971	0.6
99.00903	1.6
99.04497	0.9
101.01800	0.8
101.02449	13.4
107.12193	0.4
111.00902	0.6
113.02461	7.0
115.00347	0.7
119.03503	4.4
121.03002	0.5
125.02476	0.8
133.01443	0.6
135.04529	0.5
143.03482	0.8
161.04614	0.7
222.97089	0.4
251.23865	1.0
255.42467	0.6
267.23303	0.5
322.05081	0.5
341.26807	1.1
479.33569	0.9
503.32291	6.6
521.33374	6.8
522.34283	0.7
577.62811	0.4
579.33386	0.7
639.33099	1.2
683.38617	100.0
684.38983	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50247	1.2
59.01379	42.4
61.77718	1.1
61.98820	3.0
71.01376	17.4
73.02944	4.1
75.00883	1.1
78.95908	1.4
80.91676	4.4
81.03449	1.6
83.01398	3.1
83.05037	2.0
85.02956	4.2
87.00874	5.2
89.02460	8.1
95.01388	2.3
97.02954	1.4
97.06564	1.2
101.02440	9.4
109.06621	1.8
110.98529	1.5
111.04523	1.7
113.02459	7.4
137.09705	1.7
143.03505	1.6
145.05049	3.3
161.04546	3.4
171.10265	9.4
179.05516	2.4
182.18501	1.1
203.14381	1.4
231.17502	1.3
235.08185	7.2
239.16518	1.7
241.18108	1.8
253.09166	1.6
255.23244	4.6
265.18176	1.3
275.16425	1.9
277.18439	2.0
277.21667	12.9
278.21964	1.2
279.23254	3.9
280.23611	1.2
293.21262	4.4
315.26956	2.6
325.25250	4.4
341.10684	1.5
341.24747	4.1
343.26373	4.6
351.22998	1.8
359.25989	8.8
360.26129	1.4
361.27429	2.6
369.24347	10.0
387.25385	36.8
388.25699	5.4
405.26453	25.0
406.26770	1.9
423.37030	1.5
447.24936	2.2
526.33179	1.2
595.34552	2.7
623.34308	100.0
624.34802	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	683.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31561	0.2
57.03412	0.2
59.01384	3.2
61.98848	1.2
69.03450	0.5
69.60815	0.6
69.61227	0.7
71.01389	1.1
71.91905	0.2
72.78454	0.2
72.99316	0.3
73.02934	0.8
75.00868	5.8
81.03452	0.5
85.02950	0.4
87.00879	0.4
89.02444	0.6
89.03960	1.6
96.96030	0.5
99.00888	0.4
101.02438	0.9
105.03465	2.6
113.02473	0.4
115.00367	0.6
115.99996	0.2
121.02948	0.3
123.04533	0.3
133.01384	0.8
133.02965	7.3
135.04523	0.7
145.03033	0.3
148.01663	0.3
149.02426	0.7
153.05524	0.4
155.10802	1.5
176.01138	0.6
177.01929	100.0
178.02266	4.0
178.13979	0.2
191.05640	0.2
193.05121	0.3
291.09174	0.3
339.07272	1.8
343.14255	0.3
451.15372	0.2
497.20309	0.4
521.16638	20.2
522.16791	2.6
539.39496	0.2
563.17987	2.1
639.35913	4.2
640.36511	0.6
683.22028	0.7
683.38739	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50508	1.2
55.56596	1.0
59.01380	45.7
60.98587	1.2
69.03474	1.6
69.53974	9.3
71.01381	12.0
73.02944	4.5
78.95893	2.8
79.45672	1.2
81.03403	1.4
83.01379	2.5
83.05035	2.2
85.02949	3.8
85.62266	1.4
87.00865	5.7
89.02427	5.7
99.00886	2.1
101.02438	6.9
106.06675	1.3
109.06575	2.1
110.98534	1.8
111.08173	1.8
113.02431	4.3
119.03506	2.6
135.08060	1.3
137.09720	2.1
145.05046	4.2
155.98201	1.4
161.04550	2.3
171.10255	28.9
179.05553	2.0
235.08211	11.0
237.14790	1.6
253.09334	4.2
255.23206	5.0
275.16425	2.1
275.20032	2.3
277.21719	12.7
279.23218	4.8
293.21231	15.3
315.26794	3.2
325.25400	3.9
341.24927	1.9
343.26367	4.2
344.13727	1.8
351.23264	1.9
359.25916	5.9
361.27579	2.1
369.24310	9.3
387.25406	35.6
388.25455	2.2
405.26443	25.6
406.26669	3.5
445.66916	1.4
447.25082	3.3
479.30316	2.5
486.71478	1.2
505.18842	2.3
525.91705	1.4
593.24744	1.6
595.35034	2.0
623.34326	100.0
624.34442	12.6
628.40552	1.5
651.24744	7.8
652.24792	4.4
653.25702	2.1
683.27264	12.2
684.26593	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	683.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38223	1.0
55.01902	1.1
58.72236	1.0
59.01381	13.8
61.98823	2.9
66.51540	1.0
69.03455	2.3
69.37296	8.6
71.01376	7.7
73.02939	5.8
75.00869	20.9
83.01386	3.5
85.02940	2.1
86.69625	1.0
87.04494	2.4
89.02412	2.6
96.96008	5.0
97.02952	1.4
97.85789	1.1
99.00874	2.8
101.02428	5.4
102.38147	1.0
108.02170	1.7
109.02949	20.6
113.02459	1.2
115.00347	3.5
116.85184	1.2
119.03459	1.5
119.05000	1.0
121.02928	1.6
123.04510	2.7
124.01601	1.2
125.02438	6.9
125.99522	1.0
129.01962	1.2
133.01463	2.0
133.02975	5.4
134.03690	1.5
135.04521	19.0
137.02435	3.1
137.09679	1.1
145.02913	2.3
146.03702	2.6
147.04498	25.5
148.05305	13.0
149.02411	1.7
149.06071	51.8
150.03204	2.0
150.06352	2.9
153.02010	1.4
153.05591	1.2
155.10806	8.8
159.04497	6.3
160.05244	1.3
161.02437	10.3
161.04680	2.0
161.06064	21.0
162.03136	1.4
163.04004	7.1
163.07602	3.3
165.05542	3.7
171.04562	1.5
172.05327	2.2
173.02437	1.5
173.06055	9.6
174.03198	4.3
175.02510	1.1
175.03976	32.2
176.04749	8.5
177.01910	9.5
177.05476	6.8
178.02676	1.5
179.03505	2.6
179.10672	1.5
185.04535	4.0
185.06027	1.4
187.03979	3.2
188.04770	2.7
189.05569	31.3
191.03525	6.0
191.05453	1.9
191.07112	20.7
191.10701	1.3
193.05043	8.4
195.10432	1.2
199.09782	9.6
202.02673	1.3
203.03508	1.9
203.07082	7.4
205.04965	8.2
207.06631	2.2
212.25893	1.4
215.03476	1.6
217.05028	32.4
218.05374	1.9
219.02951	18.8
221.04521	6.9
235.06104	24.5
237.04050	16.3
247.06125	2.3
249.03969	1.6
251.09184	3.2
259.06107	1.8
277.07169	5.5
279.05133	15.4
283.11703	3.8
295.08197	13.4
296.08521	1.9
339.07175	100.0
340.07535	7.7
343.14041	6.4
435.25720	2.3
581.18726	3.3
639.35815	15.0
640.36267	1.4
683.21844	95.8
683.38831	10.4
684.22211	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93502	1.6
59.01367	3.0
67.77336	1.7
71.01374	4.0
71.49870	3.0
85.02916	3.0
89.02493	2.4
93.03437	2.5
93.11117	1.7
96.95986	2.0
107.04908	1.5
109.02944	4.5
112.36108	1.6
114.35600	1.6
115.00350	3.5
121.02918	1.9
133.01416	10.0
133.02985	2.8
134.03746	1.9
135.04507	28.1
136.04947	1.8
137.02440	4.2
149.02393	2.7
151.00345	2.5
163.00334	13.0
163.03970	2.3
164.01193	2.7
165.01939	3.0
175.00444	3.4
176.01068	9.2
177.01910	2.8
178.99770	1.8
179.03487	6.6
183.04449	2.7
187.04095	2.0
189.99036	2.1
190.99850	2.1
191.05592	11.4
192.00612	10.3
192.05965	1.9
211.03963	10.8
212.04652	3.1
213.05576	3.0
215.03534	3.6
220.00096	4.0
227.03435	4.5
228.04256	2.6
229.04950	2.1
239.03502	5.9
240.04192	5.2
241.04993	4.2
242.02144	4.6
243.02953	4.6
255.02940	9.6
256.03839	11.7
257.04443	6.7
263.01666	2.2
267.02921	21.2
268.03561	3.8
269.04077	2.4
271.02463	15.0
272.02893	2.3
283.02460	46.2
284.03226	14.6
285.03979	18.5
295.02493	5.4
300.02719	31.8
301.03406	11.0
311.01920	12.6
312.02725	48.3
313.03476	37.2
314.03851	2.8
329.02979	2.0
341.08676	3.1
353.08548	2.4
357.02524	3.3
529.12073	5.7
609.14746	19.6
610.14716	3.0
621.14545	30.1
622.14911	7.5
665.13501	100.0
666.13733	16.3
683.13708	8.8
692.18811	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	682.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78042	0.5
52.88855	0.5
57.03434	1.3
58.00574	0.6
59.01381	17.5
61.98835	5.6
67.29284	0.5
69.03494	0.9
69.21840	3.9
69.22247	0.7
71.01385	19.1
72.01697	0.5
72.99313	2.4
73.02947	2.2
75.00871	2.1
83.01388	0.9
84.73619	0.5
85.02946	2.4
87.00880	33.9
88.98857	0.6
89.02446	1.3
95.69419	0.4
96.96001	1.7
98.20641	1.3
99.04517	0.9
101.02442	2.7
112.98821	0.9
113.02445	2.6
115.00379	47.6
116.00732	1.0
122.06100	1.0
125.02386	0.7
127.00401	0.5
133.01416	1.1
134.06143	2.6
135.04533	0.6
136.07689	9.7
157.72153	0.5
161.04637	0.7
174.01683	0.6
175.02478	100.0
176.02823	3.5
251.08148	0.6
265.09998	0.5
266.06891	0.6
278.07086	0.6
281.09372	3.0
282.16711	0.7
283.10925	1.2
293.09271	3.1
313.11987	0.9
357.26691	1.0
359.28070	1.4
402.18399	1.0
430.17746	5.4
434.26309	0.7
474.09946	0.7
474.16711	12.8
475.17068	2.1
506.19290	15.9
507.19885	1.7
639.34851	2.0
681.37201	3.0
682.37622	7.8
683.38336	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	681.4062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.6
57.03433	1.1
58.00592	1.8
59.01379	37.5
60.01697	0.4
61.98843	0.4
68.99818	0.5
69.03458	2.1
71.01382	36.0
72.99303	2.6
73.02950	6.0
75.00861	1.3
76.71129	0.4
78.95867	0.9
81.03445	1.9
83.01388	4.2
85.02454	0.6
85.02947	7.4
86.00096	0.5
86.03320	0.4
87.00872	8.0
89.02442	32.6
91.04008	0.5
93.03447	0.4
95.01373	3.2
97.02946	6.2
98.20670	0.9
99.00874	2.2
99.04511	0.8
101.02444	32.2
102.02800	0.6
102.92862	0.4
109.02942	0.6
110.98568	0.8
111.04516	0.5
113.02452	14.2
119.02666	0.7
119.03497	9.4
120.42553	0.4
121.02949	1.0
124.01678	0.6
125.02444	12.8
127.03976	0.8
129.01926	0.5
131.03488	1.5
133.05045	1.0
139.03911	0.5
141.01974	1.1
143.03496	6.1
149.02425	0.4
149.04556	1.0
161.04535	7.0
162.04872	0.4
167.01126	0.7
167.03481	0.6
179.05605	6.8
181.05014	0.3
181.37875	0.3
185.04515	0.4
185.11812	1.2
217.07159	1.2
219.05080	0.6
221.06630	2.4
235.08220	13.9
236.08472	0.4
238.25360	0.4
245.06479	0.8
253.09311	2.6
253.21696	0.8
263.07700	1.5
277.09283	1.4
277.21732	5.8
278.22330	0.4
283.26404	100.0
284.26761	7.7
287.07779	3.9
297.28119	0.5
305.08725	4.0
323.09869	2.1
347.30368	0.4
361.11462	0.8
379.12427	1.1
397.13483	86.0
398.13855	5.3
415.14539	34.9
416.14880	1.8
445.23572	4.6
681.41168	0.8
700.96381	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.9
57.03437	0.9
58.00570	1.6
59.01379	38.2
60.04011	0.5
61.98820	2.4
69.03444	1.7
71.01380	33.6
71.49666	0.9
71.50057	0.8
72.99323	3.1
72.99666	0.6
73.02934	6.4
75.00872	1.0
75.88882	0.6
80.80948	0.6
81.03466	1.9
83.01380	3.9
84.86404	0.5
85.02956	6.1
87.00873	9.0
89.02443	29.1
91.04038	0.8
93.93978	0.6
95.01386	2.7
97.02946	6.0
99.00883	1.8
101.02441	28.5
109.03006	0.8
110.01195	0.6
110.69482	0.6
111.04549	0.9
113.01732	0.9
113.02456	12.4
115.04025	1.0
117.92722	0.5
119.03507	10.3
122.01101	0.6
124.01677	0.7
125.02436	12.6
125.69358	0.6
131.03456	1.4
133.05038	1.1
139.04005	0.9
143.03496	4.6
149.04576	1.1
153.01566	0.6
161.04550	6.6
167.03424	0.9
179.05600	6.9
180.32497	0.6
193.14868	0.6
217.07133	1.3
221.06644	3.1
226.50810	0.6
235.08232	13.1
253.09309	3.2
261.84793	0.6
263.07690	1.4
277.09241	1.0
281.24841	100.0
282.25192	6.9
287.07681	3.4
305.08731	5.1
323.09741	1.4
379.12360	1.0
397.13495	74.8
398.13971	5.4
415.14563	32.6
416.14813	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	680.4605
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14041	0.2
58.99075	0.2
59.01394	0.9
60.92998	0.2
61.98833	100.0
71.01392	0.3
71.50219	0.2
73.02956	0.2
77.44855	0.2
91.93742	0.2
121.95527	0.2
122.97681	0.2
158.36256	0.2
181.89667	0.2
201.01965	0.2
250.18115	0.2
264.81848	0.2
274.33069	0.2
681.38617	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19145	1.0
63.02405	1.2
65.00319	3.5
69.55944	5.4
71.01364	1.4
83.01392	1.2
98.19938	2.1
107.01385	4.2
108.02168	1.4
109.02938	2.6
119.05029	1.2
121.02905	2.1
133.01392	2.0
135.00778	1.2
148.01611	2.5
151.00349	14.1
163.00380	3.9
163.03966	2.4
164.01070	2.0
177.01839	1.2
178.99841	15.2
190.99846	3.3
192.00700	1.2
199.04018	2.4
211.04008	1.8
219.03058	1.0
223.06131	1.2
226.02641	7.0
227.03532	7.1
239.03415	2.2
243.02975	17.5
245.04524	1.9
254.02240	5.4
255.02963	33.9
256.03503	2.1
271.02454	83.2
272.03009	8.9
273.03876	1.2
283.02496	8.8
299.01996	2.7
300.02728	100.0
301.03452	39.1
302.03836	1.9
311.02106	1.5
328.02222	32.7
329.03003	20.4
330.03424	1.2
511.90790	1.1
609.14545	75.2
610.15161	9.5
637.14075	43.6
638.14539	4.6
653.13702	2.5
663.11700	1.8
681.12946	24.0
682.13519	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	679.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47370	1.7
65.61065	1.5
70.24750	5.8
71.01381	24.5
72.99342	1.9
81.62670	1.7
93.03453	1.8
96.96021	2.4
109.02956	4.3
115.00377	16.9
117.03446	5.3
121.02981	3.2
133.01424	29.8
133.02904	11.2
134.03737	51.9
135.04535	23.3
137.02417	4.8
137.27191	1.7
147.04469	2.2
149.06078	4.3
150.03314	2.2
159.04517	8.2
161.06079	1.9
171.39975	2.0
173.06143	3.0
177.01973	8.8
178.02682	8.0
179.03461	8.2
191.05608	5.2
193.05049	100.0
194.05415	4.9
195.03090	2.2
250.42062	2.3
269.08124	3.5
279.06735	2.0
282.05322	2.2
294.09073	2.6
295.09717	19.4
296.10233	3.2
297.07648	6.2
309.05862	4.2
311.05493	3.9
339.08664	2.0
401.08649	2.9
473.10922	3.7
563.14075	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	679.1517
Annotation	Kaempferol 3-(6G-malonylneohesperidoside)
Peak:m/z	Relative Intensity
57.03438	0.8
59.01380	5.7
61.98828	1.0
63.02408	1.6
65.00330	1.8
73.02951	1.0
83.01366	1.3
85.02949	1.1
87.83525	0.7
89.02445	1.1
98.20762	1.3
101.02412	1.1
107.01406	2.1
113.02456	1.1
115.00362	0.7
125.02428	0.9
133.01561	0.6
133.02943	4.8
134.03709	1.5
135.04485	0.8
147.78467	0.7
149.02383	1.2
151.00410	5.7
159.04568	0.8
159.06546	0.9
166.79028	0.6
175.04025	1.6
179.03438	0.7
183.04193	0.7
187.04088	1.0
198.06311	0.6
199.03996	2.5
201.01913	1.0
211.04062	1.3
212.04536	0.8
214.02725	0.8
217.05045	1.6
227.03438	1.6
239.03317	0.8
255.03088	1.0
256.03873	3.4
257.04407	0.7
257.60794	0.7
283.99973	1.4
284.03281	65.7
285.04044	86.5
286.04376	5.9
327.05054	1.3
475.17987	1.5
489.10358	1.9
593.15149	2.8
635.16168	100.0
636.16504	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	679.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
67.58617	0.8
71.01379	17.7
71.48868	1.3
73.02948	5.1
79.52548	0.8
83.01391	1.9
85.02940	7.9
87.00860	1.3
89.02438	13.0
92.68078	0.8
95.01337	0.8
99.00861	1.8
101.02441	16.6
108.54144	0.8
113.02452	8.0
119.03506	4.1
138.17786	0.8
143.03505	0.9
159.02963	1.9
159.04344	0.8
161.04539	9.5
175.09734	1.1
179.05545	4.2
233.10199	2.2
251.11328	26.6
252.11636	1.2
293.12402	34.4
294.12732	1.2
295.09906	1.2
337.14850	4.3
341.06818	0.9
341.10892	18.3
342.10995	1.1
549.13373	0.9
563.14099	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	677.39
Annotation	Cimiracemoside D
Peak:m/z	Relative Intensity
57.03430	1.0
58.00577	2.4
59.01379	41.0
61.98814	1.1
71.01382	24.1
72.99297	2.5
73.02940	0.9
78.95892	1.3
83.01386	1.9
85.02927	4.6
87.00870	1.3
89.02440	20.4
92.44996	0.7
93.55172	0.7
95.01379	1.5
101.02440	14.4
113.02452	9.8
119.03503	7.4
136.82280	0.6
143.03456	1.0
152.99579	0.8
159.04465	1.1
179.05573	1.6
203.03416	0.8
277.21649	2.2
278.22046	1.5
339.72513	0.7
399.13757	1.0
593.26862	2.4
677.39008	100.0
678.28320	1.1
678.39410	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4955
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.2
59.01384	0.6
61.98819	0.2
71.01382	0.4
72.04536	0.2
80.05053	0.2
81.03455	7.0
82.03798	0.2
83.05024	18.1
84.05342	0.3
88.55357	0.1
100.07676	0.3
107.06140	0.4
108.04566	0.4
125.07202	1.1
126.05574	0.5
137.84885	0.1
141.05588	0.2
143.08261	0.7
157.13521	0.1
193.04991	0.2
207.15025	1.5
222.16145	0.2
224.17673	3.0
225.16071	12.6
226.16350	0.5
242.18785	0.7
250.15495	0.3
287.09180	0.3
290.22394	0.3
309.21857	0.6
317.10336	0.2
324.26682	0.6
333.22833	0.9
341.29221	1.0
351.24225	0.2
367.27139	1.0
388.36475	0.1
407.33685	0.2
433.31738	1.4
434.32120	0.2
450.34637	1.5
451.32874	5.9
452.32901	0.7
468.35220	0.2
550.43280	0.6
559.39508	0.5
565.44391	0.3
567.45905	0.2
593.43555	0.7
659.48541	1.5
660.49127	0.3
677.49652	100.0
678.49933	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79845	0.9
59.01370	1.7
67.22799	0.9
71.01379	17.8
71.45476	1.3
85.02945	2.0
89.02466	1.0
89.03947	1.6
91.05530	2.1
93.03453	1.4
96.96045	1.8
105.03475	1.1
109.02957	6.1
115.00378	13.8
117.03497	4.9
121.02934	1.8
133.01433	15.6
133.02930	6.1
134.03740	47.2
135.04538	25.0
137.02448	5.4
141.75728	0.9
146.03725	1.0
147.04515	2.5
149.02475	2.2
149.06084	5.6
159.04518	13.0
163.03949	1.2
165.05577	1.7
173.06024	3.5
175.02455	1.0
177.01907	5.3
178.02692	5.1
179.03506	5.8
191.05600	3.0
193.05049	100.0
194.05359	3.5
195.02902	1.3
201.60771	0.8
215.03697	1.0
241.08583	1.0
251.07028	1.3
269.08176	4.1
277.08618	2.1
279.06616	2.0
280.07343	4.2
282.05267	1.5
294.08978	3.5
295.09729	24.2
296.10138	1.8
297.07697	5.2
309.06119	3.5
321.07727	1.1
339.08731	2.5
401.08777	5.9
410.38132	1.0
457.15103	1.9
473.10614	1.7
487.69620	1.0
542.27783	1.0
545.13092	1.2
563.14038	36.6
564.14130	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	677.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.0
57.03441	1.2
58.00586	1.1
58.82712	0.4
59.01378	39.7
61.98801	1.0
69.03451	2.7
70.47295	0.5
70.98093	1.3
71.01377	34.3
72.99306	3.3
73.02948	6.1
75.00870	1.4
75.53468	0.4
80.96512	2.2
81.03450	1.6
83.01395	4.6
85.02950	7.2
87.00877	9.4
89.02443	30.9
91.04006	1.1
94.98020	0.5
95.01383	2.1
97.02952	6.0
99.00887	1.8
99.04506	0.6
99.92571	0.7
101.02441	29.3
102.02752	0.5
106.02388	0.4
109.02989	0.9
111.00890	0.7
111.04518	0.9
112.01644	0.4
113.02442	14.4
115.04021	1.2
115.92058	1.2
116.92852	1.1
119.03497	10.5
121.02893	0.6
123.00845	0.6
125.02452	11.4
127.04000	0.5
131.03490	1.8
133.05109	1.1
137.02440	0.5
139.04008	1.0
141.01927	0.8
143.03491	7.1
149.04561	1.2
161.04541	7.0
167.03455	0.8
171.02992	0.5
179.05626	7.1
185.04547	1.0
199.06044	0.7
217.07109	0.9
219.05226	0.5
221.06606	2.2
235.08211	12.5
245.06520	1.0
253.09270	3.6
263.07620	1.1
277.09131	0.8
279.23273	100.0
280.23584	7.3
287.07703	3.2
305.08710	3.4
323.09827	2.0
379.12674	0.9
397.13477	73.0
398.13815	4.4
415.14529	32.9
416.14948	2.0
577.26782	1.8
677.19647	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.4
57.03428	1.2
57.70932	0.3
58.00592	1.9
59.01379	40.0
67.01878	0.4
68.99806	0.5
69.03450	1.9
71.01381	31.7
72.01700	0.4
72.99299	2.5
73.02945	6.1
75.00864	0.8
81.03427	1.7
83.01388	3.7
83.05023	0.4
85.02470	0.3
85.02953	7.3
87.00873	8.6
89.02442	29.5
93.03458	0.6
95.01391	2.8
97.02946	6.3
98.80677	0.3
99.00854	2.2
99.04543	0.6
101.02441	28.2
102.02744	0.3
109.02939	0.8
111.00866	0.5
111.04514	0.9
113.02454	13.4
115.03979	0.7
119.03497	9.9
121.02969	0.4
123.00900	0.4
125.02446	10.8
126.02785	0.4
127.03966	0.6
131.03526	1.5
133.05069	1.0
139.04016	1.2
141.01904	0.8
143.03505	6.2
149.04550	1.0
161.04555	7.6
167.03473	1.3
169.05067	0.6
169.12259	0.3
171.02921	0.5
179.05598	5.2
181.05034	0.3
185.04562	1.0
199.06165	0.5
217.07140	1.1
221.06702	2.2
229.70612	0.4
235.08220	12.6
236.08507	0.6
245.06555	0.5
253.09279	3.0
261.22040	0.5
263.07681	1.7
277.09299	1.2
279.23273	100.0
280.23611	7.5
287.07672	3.1
293.24765	0.5
305.08771	3.6
323.09738	1.7
361.11459	0.6
379.12421	1.1
397.13486	77.1
398.13849	4.5
415.14548	31.2
416.15057	2.0
570.67767	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60349	0.6
58.00563	1.1
59.01382	14.9
71.01385	8.7
83.01381	0.9
85.02956	8.2
86.15823	0.6
87.00872	1.7
89.02449	8.3
93.03468	3.3
95.01400	1.0
96.96018	3.4
101.02448	4.9
109.02981	0.6
111.04546	1.1
113.02441	3.1
119.03506	3.9
127.04010	1.8
133.01433	2.0
133.02953	1.2
135.04539	2.3
161.02489	1.6
170.19533	0.6
171.03047	0.7
173.04588	1.5
179.03458	1.1
187.56389	0.6
191.05615	100.0
192.06001	3.8
207.02975	1.0
209.07925	0.6
243.59439	0.6
309.11041	0.9
323.13477	39.9
324.13858	2.6
337.09897	0.6
353.08746	13.8
354.08792	1.1
369.84265	0.7
448.13635	0.6
673.51367	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01080	1.1
59.01377	16.3
64.88618	1.2
71.01381	12.7
71.49895	1.7
73.02961	1.0
83.01390	1.2
83.57550	0.9
84.33038	1.1
85.02946	7.5
87.00865	2.2
87.99288	1.0
89.02437	11.4
93.03458	5.9
95.01372	1.0
96.95997	12.2
101.02438	5.7
109.02984	1.4
111.04514	1.1
113.02460	3.2
115.00391	5.1
119.03482	4.1
127.03974	1.3
133.01430	7.3
133.02930	2.2
134.03770	2.0
135.04541	6.6
140.15660	0.9
149.06117	1.8
150.57033	0.9
159.04459	1.1
159.28867	0.9
161.02428	3.2
163.03947	1.1
173.04591	5.1
173.05856	1.1
177.01939	2.1
179.03499	4.0
191.05602	100.0
192.05948	3.5
193.05016	2.3
196.84015	1.0
293.08154	2.2
309.11328	2.6
310.11661	1.9
311.12100	1.8
323.13440	38.7
324.13873	1.6
335.09033	1.6
336.09604	1.3
353.08725	15.0
423.13632	1.1
561.15118	2.1
700.10358	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	677.246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	6.6
61.68693	0.6
61.98828	5.3
62.90107	0.6
65.99844	1.4
66.76138	0.7
69.26067	6.2
70.70060	0.6
71.01375	2.2
71.82635	0.6
73.02934	1.5
85.02909	0.7
94.06622	1.1
96.04551	1.0
98.19939	1.5
99.07374	0.7
101.02453	1.1
103.04257	0.7
104.05065	4.2
106.06609	1.6
108.04559	1.8
113.32561	0.8
117.05598	1.2
120.04564	2.1
122.02415	1.3
122.06123	4.0
124.04005	1.6
132.04546	7.1
134.06154	1.2
136.04010	0.7
138.05600	2.3
146.96545	1.3
148.04041	5.0
150.05585	5.5
159.04573	1.1
176.03514	100.0
177.03856	4.6
178.05070	0.8
187.06357	0.7
191.05571	0.8
199.13429	0.9
229.09749	1.5
241.09811	1.6
254.65749	0.7
257.09528	0.8
259.15292	1.0
283.10928	0.9
301.11789	1.3
310.09775	1.4
325.11847	2.5
333.14459	2.7
343.12866	0.8
359.12756	0.9
361.14059	4.7
396.94351	0.7
424.14536	0.7
442.20081	0.7
457.20050	1.0
468.17627	2.8
470.19370	1.4
482.19547	3.4
498.19174	0.8
500.20352	71.7
501.20691	8.3
641.22021	0.8
659.23718	2.3
677.38239	0.8
678.41290	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16616	0.7
54.28973	0.6
59.01390	2.3
71.01385	15.0
71.48946	0.7
71.49379	0.7
72.99306	1.2
73.08884	0.6
76.75000	0.7
76.76429	0.7
88.04063	1.2
89.02457	2.7
96.95985	1.9
99.72678	0.7
101.02451	1.7
113.02441	0.8
115.00368	31.5
128.07140	0.7
133.01431	100.0
134.01811	2.4
134.03709	1.2
135.03497	1.6
135.04529	26.3
136.04834	1.2
146.08223	12.5
172.43890	0.6
177.01941	0.9
179.03491	24.9
191.05606	2.2
206.07562	0.7
222.16182	0.7
231.37608	0.7
295.04596	3.8
308.13168	0.8
309.11136	0.9
310.11728	1.6
335.09006	0.7
336.09665	1.4
380.15591	38.2
381.15857	2.6
438.27002	0.7
560.14508	0.8
646.97314	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05770	2.5
59.01376	22.8
61.98816	7.6
62.90676	2.6
70.00089	10.8
99.33137	2.3
111.16267	3.0
121.46979	2.3
155.63193	2.6
176.95155	2.4
227.61790	2.6
268.57697	2.8
279.23911	2.3
415.15915	2.5
481.14987	16.6
482.15408	3.2
495.17477	3.1
555.19171	25.7
556.19421	3.3
572.15204	6.0
641.22668	28.9
642.22760	8.6
677.20172	100.0
678.20367	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	675.359
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.6
57.03441	1.3
58.00583	2.5
59.01378	54.2
69.03448	3.3
71.01379	39.0
72.01701	0.6
72.99305	2.9
73.02952	6.9
75.00876	1.2
81.03455	2.1
83.01398	4.3
85.02954	9.0
87.00876	10.2
87.04524	0.7
89.02443	34.8
94.36967	0.6
95.01389	2.9
97.02947	6.8
98.20677	1.3
99.00867	2.1
101.02440	32.8
109.02956	1.1
111.04520	1.5
113.02447	15.1
115.03998	0.7
119.03495	10.9
121.02953	0.9
125.02455	13.8
127.04070	1.0
131.03517	1.4
133.05052	1.1
139.04086	0.9
141.01924	0.8
143.03491	7.0
149.02406	0.8
149.04518	1.3
161.04546	7.6
167.03517	1.0
171.03094	0.6
179.05589	7.3
185.04573	0.8
221.06641	2.6
235.08197	15.4
236.08443	0.7
245.06711	1.3
253.09224	4.6
259.20541	0.7
263.07703	1.7
277.21704	100.0
278.22034	8.4
287.07672	4.4
305.08728	3.9
323.09753	2.1
379.12317	1.2
397.13467	82.3
398.13843	5.4
415.14548	37.5
416.14920	2.0
440.72064	0.7
529.42029	0.8
532.10663	0.7
552.40796	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.7
57.03438	1.2
58.00588	2.2
59.01377	53.7
60.01725	0.3
66.34322	0.2
68.99794	0.6
69.03457	2.9
71.01378	41.0
72.01720	0.7
72.99306	2.4
73.02943	7.8
74.56918	0.2
75.00880	0.9
81.03457	2.4
83.01388	4.3
83.05035	0.5
84.02165	0.3
85.02943	9.3
86.00108	0.4
87.00336	0.4
87.00873	10.0
89.02442	37.5
90.02769	0.7
91.04002	0.6
93.03445	0.6
95.01399	3.1
95.05054	0.5
97.02940	7.1
97.06667	0.3
99.00887	2.8
99.04543	0.8
101.02438	34.8
102.02798	0.3
103.00389	0.4
103.04037	0.3
109.02941	0.8
111.00880	0.8
111.04504	1.3
112.01677	0.3
113.02448	16.5
114.02766	0.7
115.03991	1.0
119.03497	11.2
121.02932	0.7
123.00886	0.5
123.04533	0.5
124.01693	0.4
125.02443	14.1
127.03991	0.9
127.07679	0.3
130.02406	0.2
131.03506	1.6
133.05052	1.3
135.04591	0.3
137.02423	0.3
139.04015	1.2
141.01909	0.8
143.02420	0.5
143.03494	6.6
149.04523	1.3
151.04018	0.3
157.05022	0.3
158.56126	0.2
159.03052	0.4
161.04546	9.1
167.03500	1.1
169.05011	0.7
171.03021	0.4
174.77299	0.2
177.22427	0.3
179.05614	7.2
185.04546	1.0
199.06100	0.4
203.05594	0.5
216.22929	0.2
217.07152	1.2
219.04970	0.4
221.06651	2.8
233.22751	0.3
235.08209	14.6
236.08667	0.4
245.06612	1.0
253.09247	4.2
255.39235	0.3
257.83212	0.2
259.20660	0.6
263.07593	2.0
275.19974	0.3
277.09314	1.2
277.21695	100.0
278.22058	8.3
278.24939	0.3
287.07675	3.5
291.11130	0.3
291.23538	0.5
295.26657	0.3
305.08801	4.3
323.09735	1.8
361.11456	0.6
379.12500	1.4
397.13467	82.5
398.13791	5.5
411.99521	0.3
415.14529	37.0
416.14981	2.2
606.84003	0.3
697.43781	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	1.4
57.03445	7.9
58.00602	1.8
59.01382	48.7
61.98828	6.0
69.03459	2.2
69.52921	5.6
69.53321	3.0
71.01387	20.0
72.99319	3.3
73.02953	11.8
75.00865	2.7
81.03460	1.8
83.01382	3.6
83.05026	2.8
85.02943	9.4
87.00874	2.7
87.04517	22.6
88.04854	1.4
88.22881	1.2
88.98790	1.4
89.02453	7.2
95.01442	1.7
95.05013	1.4
97.02948	5.5
97.06575	3.4
99.00886	2.7
99.04520	5.0
101.02436	15.1
109.02933	2.3
109.06600	1.8
111.04546	2.0
111.08121	2.7
113.02448	7.5
115.00341	3.0
119.03445	1.8
121.02907	1.4
121.10204	1.7
122.06126	4.3
123.04559	2.4
123.08199	1.9
125.02419	5.6
125.06084	2.5
127.07657	1.7
133.01437	3.2
134.06042	1.5
135.04494	3.0
135.08174	4.6
137.06064	1.7
137.09726	19.8
139.04016	1.5
139.07645	4.9
139.11250	2.0
143.03502	1.9
149.02438	2.1
149.09682	2.1
150.03195	2.7
151.00389	1.6
151.03992	2.0
151.11281	3.0
152.07121	2.4
153.05475	1.7
155.10789	73.4
156.11119	2.4
159.04469	5.8
161.04541	2.9
161.05806	1.5
163.07603	1.8
165.05568	2.9
167.10808	2.7
169.12309	3.2
177.01866	2.6
177.09370	2.2
179.03435	3.1
179.10788	7.1
181.08746	7.8
181.12376	1.6
190.93192	1.2
191.03468	2.8
191.05530	2.8
191.10783	5.2
193.12241	1.9
195.10236	4.4
197.11758	1.9
199.09767	78.8
200.10023	3.8
203.03467	2.4
211.03970	2.5
212.04700	2.5
212.44321	1.5
213.11299	2.5
216.88855	1.5
223.09718	1.6
224.04860	1.5
225.11314	1.9
227.03462	4.0
228.04320	2.8
237.11270	3.5
239.03468	5.8
240.04330	6.7
241.10832	25.3
243.06624	2.6
253.05098	2.6
253.10747	6.2
255.06737	1.5
255.12283	5.8
256.03833	13.4
257.04300	2.3
257.12970	1.8
267.06763	1.7
268.03830	10.6
268.06473	2.1
269.04434	2.1
271.06110	56.6
272.06580	4.6
283.06155	31.1
283.11850	45.6
284.06558	2.4
284.12134	3.1
286.05344	2.4
286.08456	36.8
287.09052	8.3
295.11053	2.0
298.08450	14.9
299.08810	2.0
301.10806	100.0
302.11215	8.9
313.07526	2.4
313.10849	30.8
314.11050	2.2
343.13962	21.5
344.44885	1.5
369.13242	2.1
531.27924	2.6
571.34857	5.4
599.24030	1.9
643.23926	4.2
675.26416	40.3
675.38251	4.8
676.26849	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	675.157
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43163	0.3
54.61181	0.2
59.01383	1.1
61.16478	0.2
69.22357	2.6
71.01386	18.7
72.99312	4.0
73.02947	0.5
76.62856	0.3
80.49435	0.2
87.00905	0.8
89.02443	2.3
101.02446	0.7
113.02471	0.3
115.00381	49.6
116.00714	0.6
130.04263	0.5
133.01437	100.0
134.01784	1.7
134.03770	1.6
148.05342	0.5
149.02490	0.6
149.06097	0.7
159.04532	4.7
160.04897	0.7
164.04846	0.3
169.48378	0.3
172.05359	0.3
173.06091	1.0
178.02708	0.7
179.07199	0.5
193.05086	0.7
203.03484	1.7
204.04012	0.3
223.06110	0.6
265.05109	0.3
266.05734	1.8
267.06653	0.4
281.08249	3.2
309.11163	1.6
309.62476	0.2
310.73184	0.4
335.09366	0.4
353.10202	0.9
397.09161	0.9
469.02832	0.3
559.14581	11.2
560.15015	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	675.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23125	0.5
59.01381	6.5
67.28118	0.5
71.01378	8.5
71.50446	1.0
72.99301	1.1
73.02934	1.6
76.60611	0.5
83.01392	0.6
89.02433	0.8
96.95973	0.7
101.02431	2.2
108.02180	2.1
109.02921	0.8
113.02454	1.4
115.00374	13.3
119.03472	0.7
119.05035	0.6
121.02936	0.9
122.03781	0.7
123.04497	2.3
125.02459	1.0
130.04216	2.0
133.01424	15.8
133.02892	1.3
134.03766	5.3
135.04510	1.2
137.02467	0.9
141.39658	0.6
146.03696	1.6
147.04495	2.6
148.05315	7.3
149.06116	2.7
159.03233	0.9
159.04521	15.3
161.02420	0.7
161.04623	0.9
163.03931	0.7
163.07617	1.3
163.63065	0.6
172.05327	4.5
173.04631	1.2
173.06076	13.7
174.03278	1.3
174.06454	0.8
178.02715	2.5
193.05049	5.4
202.65828	0.7
203.03453	1.7
256.59891	0.6
265.04996	8.3
266.05804	28.4
267.06137	1.3
277.08627	1.0
279.06433	1.0
281.08163	41.5
282.08624	2.7
294.08939	1.5
309.07944	0.9
309.11285	18.5
310.11530	1.1
319.06155	0.8
320.06866	1.1
335.09213	1.5
353.10101	3.9
379.08109	0.7
397.09232	19.4
398.09857	1.2
440.35739	0.6
446.86838	0.8
541.13428	5.4
559.14502	100.0
560.14819	11.6
584.20343	0.6
675.32086	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72268	0.3
59.01383	4.7
60.34469	0.3
70.30859	1.2
71.01378	3.7
73.02955	1.0
75.64370	0.3
78.30041	0.3
79.08514	0.3
83.01389	0.4
85.02973	1.0
87.00883	0.8
89.02442	1.9
97.06594	0.5
98.20036	0.3
101.02458	2.7
111.08162	0.9
113.02445	1.8
119.03503	0.6
138.72209	0.3
154.39261	0.3
159.04541	0.3
161.04535	1.1
161.69313	0.3
163.11349	0.4
165.12851	9.9
183.13902	100.0
184.14227	4.6
209.11842	2.1
210.12291	0.3
227.12866	6.1
235.08214	1.1
253.09286	2.2
316.32419	0.3
337.14493	1.2
445.20969	1.7
463.21866	4.4
511.29407	0.8
629.35223	5.3
630.35052	0.8
655.33301	3.5
656.34082	0.7
673.34381	59.3
674.34784	10.9
675.71246	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.8
63.99461	0.3
67.99790	0.3
70.80684	0.7
71.01391	0.7
76.73682	0.3
102.04798	0.3
103.05531	1.5
110.85957	0.3
115.00355	0.4
123.04522	0.7
130.04254	6.2
131.04994	0.9
133.01410	0.4
133.02971	2.2
135.04729	0.3
144.97998	0.3
149.06084	3.4
159.04524	100.0
160.04858	4.0
161.02440	5.1
175.04002	0.7
177.05540	0.5
203.03511	19.6
204.03828	0.8
209.22150	0.3
221.04558	40.9
222.04889	1.7
287.72971	0.3
289.42136	0.3
320.52197	0.3
568.23059	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.9
59.01379	8.7
61.98819	2.6
63.10680	0.5
67.01884	0.6
69.15300	1.3
69.15706	4.7
71.01389	2.0
73.02949	1.1
85.02972	0.9
89.02436	0.7
95.05028	0.7
96.95998	2.1
98.20676	1.1
101.02439	1.6
108.04576	0.6
113.02459	1.3
115.00342	0.6
116.92837	0.7
119.03517	0.7
120.04548	6.2
121.05325	2.5
122.06140	6.6
129.40337	0.5
132.04579	1.6
134.06134	2.5
135.06882	1.2
136.07683	11.6
138.05566	0.8
150.05687	1.2
150.06865	4.3
158.02470	1.5
159.04506	2.0
161.07178	1.2
168.06674	2.3
171.11812	2.1
177.01935	1.7
178.09940	0.6
179.10799	1.6
190.05075	6.9
198.09297	1.6
199.09937	1.7
214.12383	11.8
215.12784	1.0
226.07585	0.9
227.08244	1.7
228.08951	1.6
228.76144	0.6
229.09880	4.0
230.11906	3.8
241.09860	8.0
242.10588	17.4
243.10925	0.8
257.12952	89.7
258.13297	4.0
295.10535	0.7
301.11926	100.0
302.12302	7.6
323.10516	0.8
339.09891	1.0
353.11438	0.8
357.10861	0.8
362.41833	0.7
371.12445	17.2
372.13190	2.4
496.34259	0.9
511.36343	8.8
522.86688	0.6
529.26733	1.3
577.86517	0.6
641.22522	1.4
655.23224	0.8
673.34241	1.2
674.23431	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.215
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08061	0.3
51.00436	0.3
69.37207	3.2
73.02947	2.1
75.00869	1.7
77.66076	0.4
79.10740	0.4
103.00340	0.8
104.34837	0.4
325.39374	0.4
346.53223	0.4
383.31696	0.5
452.11240	0.7
453.15790	0.6
455.16989	1.1
456.17386	0.5
464.14444	0.5
466.16196	1.3
467.13647	1.6
468.10663	0.7
468.17999	0.8
469.18524	0.6
473.18134	2.1
479.17145	1.5
481.18518	1.1
483.13254	1.3
483.20297	4.0
484.20456	0.8
493.18747	1.6
494.19321	0.5
495.13318	1.3
496.14105	1.4
497.13470	0.6
500.16931	1.0
507.16882	0.8
508.17026	0.5
510.15158	5.2
511.14502	1.6
512.13538	1.5
514.15295	0.4
521.18451	1.2
523.16559	1.7
525.17816	1.3
526.14874	20.3
527.15057	4.9
528.16748	0.6
529.16986	0.5
537.17792	0.9
538.18378	1.0
539.19495	0.7
542.14813	1.6
550.14642	0.8
569.16748	6.1
570.16998	2.2
583.18030	0.6
599.18146	2.0
600.18225	0.6
614.19910	1.1
673.21497	100.0
674.21710	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	673.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19186	0.8
52.99105	1.0
54.73246	0.9
61.98832	1.1
203.76299	1.0
248.52341	1.0
299.80737	1.0
306.58359	0.9
311.78571	1.0
424.15259	1.3
435.45667	1.0
451.14307	2.4
452.14954	1.0
466.16553	7.2
467.17511	19.9
468.11392	1.1
468.17139	4.6
473.18109	2.5
479.17093	2.3
480.14133	2.1
481.19354	5.6
482.19043	1.6
483.20712	4.8
484.21124	1.2
485.18256	3.3
493.18887	2.7
494.18597	0.8
495.16763	3.5
500.16721	1.1
501.21765	1.2
509.18234	2.3
510.15353	2.2
511.16306	4.0
514.18634	1.7
521.18463	4.3
522.15002	5.6
523.15973	12.4
524.16455	2.3
526.19214	13.5
527.19727	5.5
537.17810	20.9
538.18433	6.8
541.20966	100.0
542.14136	0.9
542.21149	21.3
546.17273	1.5
549.13672	1.6
550.14661	3.3
553.20575	1.4
554.17853	2.1
558.17487	19.1
559.17664	3.5
565.17224	8.2
566.17816	1.6
569.20026	2.0
570.18195	1.4
581.16791	4.0
582.17566	44.3
583.17859	9.6
584.18951	1.1
586.20447	2.9
597.19885	19.0
598.17877	7.6
599.17822	1.4
609.16583	1.5
614.18109	1.1
618.19409	4.5
629.22504	3.2
641.18866	18.3
642.19098	4.8
673.21552	60.2
674.21820	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	673.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30085	0.4
57.72340	0.4
58.93706	0.4
69.17724	2.5
69.18139	1.1
71.28953	0.3
73.02956	1.9
75.00877	1.9
103.00350	1.3
138.75827	0.4
211.82378	0.4
248.25970	0.4
388.55579	0.4
436.15125	0.5
439.13843	0.5
452.10773	1.7
453.15942	0.7
454.78506	0.4
455.17151	1.6
466.16553	1.8
467.13562	1.9
467.17960	0.6
468.11295	0.9
468.17850	0.8
469.18762	0.6
473.18433	1.9
474.18039	0.5
479.17474	1.8
480.17792	0.8
481.18658	1.2
483.13214	1.3
483.20337	4.7
484.20712	0.8
493.18811	2.1
494.19138	0.7
495.13339	1.4
496.18359	0.6
497.18475	0.7
500.16992	1.2
507.16629	1.5
508.17761	0.6
509.18759	0.4
510.15231	8.9
511.16187	3.1
512.13538	1.4
514.18146	0.4
521.18073	1.6
523.15723	2.6
524.16650	0.9
525.18134	3.4
526.14758	13.4
527.15021	3.2
528.16199	0.7
537.17725	1.5
538.18707	3.0
539.19055	1.3
542.15283	1.2
543.15088	0.5
550.14856	2.1
551.15558	0.8
553.20990	1.1
565.17352	2.1
566.17627	0.7
569.16730	10.3
570.17017	3.2
582.17401	1.0
597.19836	0.6
599.17688	2.0
600.18610	0.6
614.18878	0.5
629.22333	0.8
632.17352	0.5
641.18842	7.8
642.19733	1.6
673.21509	100.0
674.21747	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	672.1421
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40450	1.3
58.47213	1.4
69.16831	6.8
69.17252	6.8
70.31839	1.4
84.85065	1.3
86.78881	1.6
105.22716	1.5
151.00395	9.1
159.49254	1.7
163.00314	1.5
178.99919	3.4
210.47577	1.4
217.01218	1.4
227.70837	1.4
243.02942	7.9
254.02162	1.7
255.03009	20.3
271.02481	37.9
272.02847	2.9
294.56314	1.5
300.02765	77.0
301.03473	27.6
419.24258	1.5
553.76447	1.6
559.88184	1.7
609.14618	100.0
610.14929	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	673.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98833	82.6
70.72504	70.7
71.01365	40.7
121.02972	46.1
121.75953	31.8
134.44728	31.3
134.52751	31.9
137.85611	37.2
171.10242	76.2
209.11911	67.3
211.13493	47.3
265.15805	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2673
Annotation	Kamalachalcone A
Peak:m/z	Relative Intensity
61.98806	7.7
65.84748	2.9
69.84187	14.0
75.11443	2.4
78.95898	3.0
88.02288	3.1
98.20512	4.3
119.92963	2.5
120.04400	2.4
310.79654	3.1
317.47488	2.7
671.26727	100.0
672.27649	15.3
696.76862	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	671.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01375	9.0
71.38412	1.4
72.99283	1.7
89.02432	1.7
115.00368	26.6
116.00698	1.0
133.01424	100.0
134.01724	2.6
134.03754	2.7
135.04514	24.2
136.04858	0.8
149.38445	0.7
164.11664	0.7
179.03485	25.9
180.03761	1.8
293.66074	0.7
295.04623	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	671.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	2.0
63.29178	0.7
71.01379	11.8
71.38692	0.7
71.39012	0.8
72.99302	1.0
73.02952	3.1
83.01386	0.9
83.22951	0.7
85.02958	4.8
89.02436	1.6
89.34983	0.5
99.00851	0.7
101.02452	5.4
108.02174	2.0
109.02967	2.9
113.02456	5.4
114.53007	0.6
115.00381	6.5
121.02946	3.2
121.06638	0.8
122.03738	100.0
123.04566	17.2
133.01430	27.9
133.02913	1.1
134.03693	0.6
135.04521	12.2
137.02449	1.6
137.06075	2.1
143.03551	0.9
147.04509	1.7
150.03180	0.7
152.01151	1.5
153.77277	0.6
159.02972	1.4
161.02478	0.9
161.04559	13.2
162.03177	0.8
165.05515	5.7
167.03479	2.7
175.02405	1.5
177.05508	3.6
179.03497	8.1
191.05621	2.0
201.00331	1.1
201.49847	0.6
205.50162	0.6
219.01427	2.8
239.05602	2.9
285.04688	1.6
285.09750	5.9
295.04715	1.0
329.08755	61.0
330.08899	3.2
374.47565	0.6
375.05988	2.1
393.07031	1.1
447.07932	2.9
555.10034	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	668.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42522	0.7
51.83973	0.8
61.98829	100.0
65.20380	0.7
69.15835	6.5
69.16241	1.6
93.15829	0.8
104.06196	0.7
171.10263	13.8
172.10637	2.3
179.96510	0.8
277.21640	7.2
278.22076	2.6
292.11041	0.8
484.70255	0.9
529.22650	1.5
552.69324	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35680	2.0
52.10341	2.1
57.03416	2.7
59.01376	32.0
61.98830	7.4
70.03223	4.4
70.03616	4.9
71.01376	11.3
73.02927	4.1
85.02962	3.7
88.98782	4.2
89.02426	4.9
90.37746	2.4
96.63763	2.2
96.96032	3.6
101.02449	7.6
113.02473	5.8
116.92814	4.4
125.02478	2.7
136.05281	5.1
149.06081	2.3
151.00363	2.3
151.07611	5.9
151.86604	3.2
165.09219	2.7
201.01918	4.1
210.22171	2.3
268.03494	2.5
281.04575	36.5
282.05157	7.2
293.04474	20.3
307.06058	3.4
319.09753	3.2
321.07587	3.9
336.10251	3.6
365.82910	2.7
381.20169	2.4
405.17056	26.8
406.17227	4.1
421.16516	5.8
465.35757	8.7
565.20361	3.2
583.21545	9.4
625.22925	100.0
626.23260	13.8
669.38989	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	670.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40437	2.9
59.01379	45.1
59.92739	2.8
60.01720	4.9
61.01805	6.1
61.98830	100.0
65.67929	2.7
71.49612	4.5
103.36497	2.7
112.30762	3.0
133.48131	3.4
153.99098	3.5
185.02756	3.3
194.00505	3.1
194.61380	3.2
271.22751	12.6
304.49771	3.1
307.34262	4.0
489.11560	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	670.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.91090	0.4
69.93121	2.2
78.95888	0.5
79.55959	0.5
98.19980	0.7
105.83681	0.4
107.84988	0.4
163.11255	0.6
205.43428	0.4
246.54900	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
62.98904	2.5
69.68147	15.0
194.79024	2.7
206.38705	2.5
343.06006	3.1
383.32602	3.0
418.37759	3.1
513.20563	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	665.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55802	0.7
61.98833	9.7
69.22680	6.7
71.01373	1.1
78.95909	1.7
102.00558	0.7
107.22597	0.8
151.59706	0.7
277.21658	1.2
362.98831	0.7
393.31842	0.7
428.03003	0.7
441.20908	0.7
471.34811	100.0
472.28345	1.0
472.35129	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	666.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04223	0.6
51.20803	0.5
51.47995	0.6
56.84099	0.6
59.01390	3.8
61.98835	26.6
71.01387	1.4
71.51072	0.8
85.02946	0.9
89.02453	0.7
89.17470	0.5
97.49526	0.6
101.02452	1.3
108.52614	0.6
113.02412	0.8
117.03483	3.7
119.05032	0.9
123.18606	0.7
145.02925	2.2
147.04503	0.9
157.59261	0.5
163.04039	2.1
173.02454	3.2
198.77888	0.6
201.01935	100.0
202.02303	5.6
253.46381	0.6
386.59378	0.6
665.43231	1.4
666.42932	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82559	0.4
59.01377	100.0
60.01704	0.9
63.73423	0.3
74.63393	0.3
144.47650	0.4
274.79803	0.4
328.68561	0.3
405.35818	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2779
Annotation	Swietephragmin D
Peak:m/z	Relative Intensity
58.39308	1.0
59.01366	1.1
61.98824	8.4
71.49850	1.9
80.96547	1.9
84.74908	1.2
86.94232	1.1
87.47215	1.2
139.54935	1.0
146.96625	1.2
171.10281	12.7
209.07227	1.1
211.08727	5.4
223.12518	1.1
225.14090	1.4
237.06636	6.5
238.07033	1.5
242.34215	1.2
242.71312	1.2
269.09552	1.6
277.21710	7.1
299.04459	2.7
447.18228	2.8
461.19650	1.6
475.17850	3.2
489.19312	19.4
490.19818	5.0
533.18402	6.6
534.18707	2.1
548.20374	1.6
549.21423	4.3
550.22522	1.2
635.25073	100.0
636.25555	26.0
637.26349	3.4
667.27789	23.2
668.27917	3.8
678.03290	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	668.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10053	0.5
61.98834	100.0
71.04662	0.9
75.49384	0.5
89.54799	0.6
125.73541	0.5
171.10292	7.4
172.10620	0.6
253.09340	0.6
277.21722	6.3
278.22073	2.1
350.16971	0.5
411.19235	0.5
482.00406	0.5
494.70096	0.5
529.22784	1.2
641.56201	0.6
645.46594	0.5
653.26434	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12100	1.6
59.01365	5.7
61.98820	2.1
69.71165	8.5
71.01371	16.1
85.02901	2.5
89.02463	3.0
91.22569	1.8
93.03463	1.8
96.96006	6.1
101.02392	1.9
115.00361	11.1
119.05022	46.1
120.01295	2.1
133.01425	15.3
135.04559	2.6
138.01906	3.6
150.21730	1.8
163.03998	100.0
164.04353	3.5
165.01953	3.2
165.05504	2.5
179.03474	2.1
195.06635	3.9
241.73801	2.1
279.04999	5.1
295.31384	2.0
300.02402	2.3
399.07040	3.0
544.07123	2.1
579.13208	2.4
583.78601	2.0
621.14063	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	665.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38728	1.3
59.01389	4.6
61.98838	1.9
67.29059	1.5
71.01376	16.0
71.49815	1.4
72.99287	1.4
81.05211	1.4
85.02943	2.1
89.33057	1.3
93.03493	2.1
94.21423	1.6
96.96022	4.7
101.02451	2.8
115.00378	8.0
116.48248	1.5
119.05030	40.8
120.05373	2.1
133.01450	12.5
133.02945	1.6
135.04529	3.8
138.01965	2.2
159.04482	1.6
160.20813	1.7
161.04535	1.6
163.04012	100.0
164.04359	3.5
165.01997	2.4
165.05501	2.7
179.03450	1.6
195.06664	2.3
279.05148	4.2
369.06238	1.9
531.12225	1.9
621.14606	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	665.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.8
58.00585	3.1
59.01379	61.1
61.98833	6.3
65.56142	1.1
71.01381	33.9
72.99303	4.6
73.02927	2.0
83.01379	2.3
85.02947	6.9
87.00893	1.6
88.58942	1.1
89.02439	32.7
95.01373	2.7
99.00922	1.2
101.02438	23.2
109.87061	1.4
113.02448	15.8
119.03500	17.2
125.02449	1.4
130.08714	1.4
131.03461	2.4
131.78348	1.1
133.01433	1.1
143.03490	2.1
145.27545	1.2
161.04567	2.2
178.09081	1.1
179.05591	4.1
185.04201	1.1
201.01909	4.2
202.02216	1.7
323.87787	1.2
417.26315	1.4
535.40045	1.3
564.29510	1.5
603.87683	1.3
621.32758	1.2
665.42712	100.0
666.43054	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	665.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30569	0.5
57.03448	0.9
59.01380	1.7
67.02679	0.5
69.13273	5.4
71.01385	13.4
71.76723	0.5
72.99308	1.4
83.01420	0.5
85.02953	4.3
87.00851	0.7
89.02456	2.1
96.96019	0.7
98.20664	1.1
98.81416	0.6
101.02441	1.0
105.03442	0.7
107.05057	0.7
109.02962	0.9
111.00882	1.8
113.48809	0.5
114.32334	0.5
115.00382	29.5
119.05074	0.8
129.01932	3.3
133.01436	100.0
133.03027	3.5
134.01762	1.2
134.03783	1.1
135.04530	25.2
136.04887	0.9
161.02257	0.5
163.03978	0.9
177.01953	1.8
178.02226	0.7
179.03510	28.0
180.03909	1.0
193.05127	0.9
195.02963	1.2
199.05206	0.6
205.03503	2.5
223.04523	2.6
231.21512	0.5
255.74234	0.6
295.04492	4.0
323.13467	3.3
431.42078	0.6
549.15204	1.2
572.36908	0.6
653.10498	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47231	0.8
58.00560	1.2
59.01377	36.5
71.01377	23.8
71.45605	1.3
72.99301	2.5
83.01385	1.8
85.02951	6.6
87.00900	0.9
89.02436	23.3
91.05508	0.7
94.67513	0.7
95.01387	1.5
96.95998	0.9
101.02447	14.8
105.03467	1.1
109.02951	0.8
111.00866	1.5
113.02451	8.0
115.00363	13.6
119.03492	10.2
129.01904	1.3
133.01421	48.2
133.02901	8.6
134.01768	1.7
134.03676	2.2
135.04523	15.0
136.04868	0.9
143.03467	1.0
143.07144	1.0
163.03926	1.0
173.04546	0.8
177.01939	1.9
179.03502	14.3
179.05318	0.8
190.84166	0.7
191.05498	1.8
193.05040	3.0
194.05464	1.3
195.02954	7.3
205.03438	1.5
219.13693	0.7
223.04550	2.8
295.04382	1.8
323.13437	100.0
324.13736	4.9
359.89951	0.7
549.14532	1.2
638.78210	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86754	0.3
59.01387	2.8
60.24078	0.3
61.98833	37.2
70.02910	1.3
71.01379	0.8
73.02946	0.8
85.02948	0.3
88.26871	0.3
90.24302	0.3
90.31779	0.3
91.90399	0.3
96.96024	0.4
101.02419	0.6
101.03939	0.3
102.44628	0.3
113.02460	0.4
116.10613	0.3
117.03481	4.8
119.05056	0.4
124.71098	0.3
145.02968	2.2
147.04552	0.9
161.04556	0.4
162.77332	0.3
163.04036	2.0
164.04517	0.3
173.02457	3.4
189.01906	0.3
201.01936	100.0
202.02274	4.5
208.04376	0.3
250.83075	0.3
663.35229	0.4
664.34644	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07626	0.1
61.98827	100.0
62.98530	0.1
69.15282	0.7
69.15689	0.2
92.49477	0.1
98.19940	0.2
140.33890	0.1
149.79692	0.1
248.48338	0.1
259.34921	0.1
262.68442	0.1
278.22107	0.1
333.25757	0.1
366.74649	0.1
401.27994	0.1
543.06079	0.1
579.26855	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
61.59035	0.2
61.98828	100.0
62.98537	0.2
69.82385	0.8
86.07552	0.2
128.87178	0.1
217.55666	0.2
236.69974	0.1
389.47882	0.1
567.92041	0.2
579.27020	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18837	1.2
59.01383	19.5
60.43370	1.2
61.98832	3.6
65.68587	1.4
71.49177	1.3
71.49554	2.1
73.36621	1.3
73.71389	1.4
76.24062	1.3
78.95915	24.9
86.65731	1.3
93.91000	1.4
115.00346	1.3
142.35194	1.4
152.99577	4.5
168.04294	4.2
199.13412	15.9
224.06900	8.7
242.08040	1.9
279.19727	7.3
347.26019	4.0
363.25204	2.1
365.26978	78.5
366.27435	7.4
519.27216	1.5
590.34668	100.0
591.35059	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	663.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84896	0.5
61.98814	0.9
69.83144	2.8
71.01009	1.0
71.01380	13.4
73.50074	0.5
80.78769	0.5
85.02940	1.8
87.00870	0.8
89.03939	1.3
93.03453	1.4
106.67938	0.5
115.00365	6.1
117.03448	3.5
127.04009	0.6
133.01414	1.3
133.02937	1.7
134.03731	47.7
135.04471	1.9
137.02470	1.1
137.06087	0.8
149.06105	5.4
159.04478	1.0
161.02492	0.8
173.04572	0.7
177.01950	0.6
178.02734	4.0
179.03561	0.7
191.05605	34.6
192.06007	1.3
193.05037	100.0
194.05356	5.0
278.11780	0.6
295.09848	1.0
296.10126	0.8
297.10791	0.7
309.06097	5.0
323.09106	0.7
323.13315	0.6
341.10132	1.1
353.08774	4.5
372.86081	0.6
385.09042	0.7
503.15460	0.7
547.14557	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	663.3751
Annotation	Caloxanthin sulfate
Peak:m/z	Relative Intensity
57.03444	1.1
58.00579	1.6
59.01380	40.1
61.98830	8.5
69.41305	8.4
71.01375	18.8
71.79976	1.1
72.99279	1.3
73.02973	1.2
73.26395	1.1
80.24577	0.9
85.02946	4.2
87.00872	1.1
89.02441	16.7
97.22923	1.3
98.19844	1.8
99.00813	1.0
99.98701	0.9
101.02447	13.0
104.03477	1.0
106.05196	1.0
113.02440	6.7
119.03499	5.9
133.01428	2.8
247.24066	1.3
359.10254	1.0
402.87454	1.3
439.32144	16.7
440.32520	1.7
663.37518	100.0
664.37805	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	663.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30481	0.9
59.01370	1.1
59.88502	0.8
61.08736	0.8
61.98803	2.6
63.39557	0.8
70.62207	1.8
70.62553	2.3
71.01368	1.9
78.98584	1.4
79.18342	0.9
79.95734	1.5
80.96505	9.9
82.96049	1.0
94.98064	2.2
98.19959	0.9
101.08586	0.9
105.03453	1.5
106.67931	0.9
132.01201	1.8
132.02151	12.5
133.02968	9.1
134.03755	4.4
160.01653	61.9
160.61285	0.9
161.02087	3.0
164.98613	2.0
167.28226	0.9
175.03992	82.8
176.04352	2.2
177.01860	1.8
182.55447	0.8
193.05003	3.9
578.27130	19.9
579.27484	5.0
589.36169	1.0
648.37311	1.8
656.66687	1.2
663.38983	100.0
664.39337	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	662.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94111	0.7
59.03465	0.8
61.98816	6.6
63.96244	1.5
69.77208	1.9
69.77625	3.7
71.01393	6.0
73.02926	1.4
78.98582	5.0
79.95734	10.0
80.96516	60.0
85.02960	2.1
87.00893	2.4
94.21820	0.9
94.98085	11.4
97.02944	1.6
98.20604	1.3
101.02447	2.9
106.98095	2.2
119.27197	0.9
122.97559	2.8
125.02464	2.8
134.97603	4.3
136.99124	1.8
148.99165	5.3
151.51718	0.8
152.98630	5.7
160.01704	2.1
164.98642	9.9
175.03981	3.0
206.99689	2.6
225.00723	15.4
250.71407	1.1
277.21854	1.5
292.18643	1.1
299.04382	2.3
318.98145	1.0
474.79755	1.0
480.95343	0.9
577.26837	100.0
578.27087	13.2
580.27460	2.1
634.27399	0.9
662.24628	3.8
663.39148	4.6
684.11841	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	661.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68068	0.9
69.20246	0.9
69.20451	3.7
69.20849	6.2
71.01385	15.6
72.99315	2.5
89.02449	1.2
91.05528	7.2
93.03459	1.7
95.29633	1.2
96.95993	3.6
109.02946	2.9
115.00381	30.4
116.00644	1.3
121.02973	5.5
133.01434	55.1
135.04532	70.1
136.04845	2.5
145.02931	3.6
146.03699	1.1
147.04520	5.8
149.06052	2.6
158.03734	2.5
159.04517	29.0
160.04829	1.9
161.07677	1.0
172.67403	1.2
173.06090	9.4
179.03535	5.2
251.07295	1.5
266.05716	3.0
267.06705	2.3
277.08676	4.3
279.06598	2.6
280.07352	11.2
293.08255	2.2
294.08926	4.7
294.91934	1.2
295.09763	100.0
296.10065	8.2
312.58551	1.3
321.07623	4.4
339.08688	20.5
340.08963	2.4
383.07791	8.4
430.23404	1.2
457.14951	4.7
501.13974	3.6
545.13074	17.5
546.13544	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	661.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.0
61.23912	0.3
69.68101	1.8
71.01382	11.6
72.99316	1.9
81.02997	0.3
87.00867	0.6
87.84190	0.3
89.02435	2.1
98.20779	0.4
101.02480	0.3
113.02452	0.4
115.00368	38.2
116.00721	0.7
123.27302	0.3
128.61143	0.3
129.97188	0.4
133.01428	100.0
134.01758	1.8
134.03748	1.6
135.04521	35.8
136.04877	0.8
159.04561	0.4
161.02435	0.6
173.06146	0.4
179.03490	57.5
180.03835	2.3
203.03468	0.6
295.04541	3.0
365.08646	0.6
545.13031	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.9
66.66481	0.2
66.93912	0.2
69.28309	1.2
69.28732	0.8
69.47974	0.2
71.01381	10.1
72.99303	2.0
85.02959	0.3
87.00867	0.5
89.02438	1.2
98.20614	0.4
99.04470	0.2
107.05011	0.6
109.03040	0.4
115.00370	29.5
116.00727	0.3
117.03473	0.2
130.04271	0.3
132.90265	0.3
133.01427	50.8
134.01779	0.8
134.03757	1.9
135.04520	54.6
136.04820	2.0
159.04497	1.7
160.04875	0.2
161.02409	2.4
179.03488	100.0
180.03810	4.0
203.03473	2.6
277.03598	0.5
295.04538	0.7
365.08353	0.5
403.20807	0.2
545.13196	0.6
617.99384	0.2
619.24493	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72416	0.3
59.01381	100.0
60.01706	0.6
60.72197	0.3
61.98838	1.1
70.44368	1.0
78.95913	0.7
122.04664	0.3
143.94633	0.3
255.23422	1.1
279.23511	0.4
423.25256	1.0
451.91391	0.4
523.35175	0.3
610.82501	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4316
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60258	0.9
58.24776	0.7
59.01378	100.0
61.98836	1.5
71.49499	1.4
78.95911	0.9
80.41499	0.7
94.35532	0.8
110.98609	0.7
120.82723	0.7
121.16846	0.8
190.43991	0.7
190.81686	0.7
242.84451	1.0
255.23273	6.9
263.38669	0.8
337.35663	0.8
423.25195	5.2
510.98230	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76836	1.3
57.31196	1.7
59.01381	4.0
62.65572	1.4
62.96439	1.4
70.84123	3.7
71.01379	8.9
91.05519	9.3
109.02966	3.9
115.00373	15.5
121.02949	5.6
133.01437	23.9
133.65767	1.5
135.04526	67.4
136.04875	1.5
144.89748	1.6
145.02975	2.8
146.03712	2.5
147.04515	10.6
149.06065	2.4
159.04517	30.7
161.02454	12.4
173.06013	10.3
174.03247	2.5
179.03497	11.4
219.14745	1.6
249.09254	1.6
251.06927	2.0
265.05002	2.1
266.05777	3.3
267.06464	2.5
277.08636	4.0
279.06552	2.7
280.07373	13.1
293.08182	4.7
294.08884	5.4
295.09720	68.0
296.10095	7.1
303.06750	4.2
306.05502	4.1
321.07666	38.8
321.11423	2.6
339.08737	7.3
365.06595	3.1
368.27039	1.6
383.07663	14.6
457.14978	2.0
501.13876	3.7
545.12952	100.0
546.13049	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	659.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.1
58.52573	1.3
59.01372	9.6
59.87189	1.3
61.98816	3.3
65.67713	1.3
69.03429	1.4
71.01370	5.2
71.41416	1.9
73.02946	1.8
74.32140	1.8
80.26414	1.4
85.02945	1.7
89.02434	3.3
101.02444	4.9
113.02442	2.9
165.12886	10.5
183.13885	100.0
184.14244	3.2
195.13858	14.6
209.11745	2.8
213.14941	79.7
214.15280	3.1
227.12836	3.5
253.09291	9.3
301.22729	1.9
333.02005	1.7
423.25159	2.0
463.21945	4.6
659.36462	88.8
660.36823	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	659.4316
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91623	1.1
59.01376	100.0
60.01707	1.6
61.98812	3.7
69.17995	10.1
78.95911	1.5
93.79046	0.9
121.02940	3.1
139.46692	1.0
178.25491	1.0
255.23236	3.6
277.21603	1.8
373.15735	1.0
423.25113	2.7
582.43188	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4316
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.8
59.01379	100.0
59.55379	0.5
60.01719	0.9
61.98827	0.8
71.49664	0.8
78.95927	0.7
79.72961	0.6
83.05057	0.6
98.06944	0.5
106.37781	0.5
110.55991	0.6
131.88734	0.5
147.68484	0.5
182.43199	0.6
213.81914	0.6
214.84659	0.6
235.55336	0.5
253.21741	0.7
255.23262	4.0
423.25220	1.9
541.36804	0.9
563.39459	1.5
584.06860	0.6
660.42078	0.7
678.42871	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37524	3.8
61.98864	4.7
70.70396	5.7
70.70741	10.3
71.01357	6.7
78.95911	10.7
79.95745	9.4
80.96527	47.2
82.26128	3.9
94.98106	10.2
101.02481	4.6
148.99274	5.8
152.98575	5.0
159.19859	4.3
164.98592	7.2
223.08696	4.5
225.00720	10.7
255.23303	17.7
277.21750	4.8
299.04526	6.6
354.54507	3.8
423.25128	13.1
566.76471	4.3
577.26837	100.0
578.27448	10.1
599.17792	15.5
600.18787	5.0
659.20184	19.1
659.30627	4.7
660.19263	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	659.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
69.13712	6.8
73.02943	3.1
87.81308	0.6
151.63728	0.7
255.23305	3.3
423.24921	1.9
441.19257	3.9
465.19110	1.4
467.21115	1.0
469.22577	2.6
486.18674	0.8
496.17493	3.9
497.18671	1.5
498.15201	4.4
499.15643	0.9
509.18213	2.1
512.16949	25.0
513.17511	6.2
514.18524	1.5
521.64252	0.8
524.20422	0.9
525.21747	1.4
528.16663	4.4
536.16852	1.1
537.16736	0.7
541.17822	0.9
555.18793	6.6
556.19122	1.3
585.19537	3.7
586.20471	1.5
600.22363	8.9
601.22998	3.6
632.21692	1.2
659.23566	100.0
660.23834	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16957	0.3
59.01382	0.5
65.97289	0.3
70.81065	0.5
70.81390	0.6
73.02968	2.3
75.00871	1.0
86.98173	0.3
103.00332	0.5
184.75580	0.4
188.77190	0.3
255.23349	0.8
315.92365	0.3
423.25098	0.6
441.19513	2.7
453.19394	1.0
454.20209	0.6
459.19983	0.6
464.17999	0.4
465.12894	0.4
465.19162	2.7
467.20941	1.1
469.22711	3.2
479.20844	2.0
481.15176	1.4
483.19962	0.5
486.19070	1.2
492.18393	0.5
493.19193	1.2
495.16376	0.5
496.17596	5.4
497.17960	1.9
498.15643	0.4
507.20651	1.9
509.18124	2.6
510.18631	0.8
511.20087	2.2
512.16913	13.6
513.17102	2.7
514.18903	0.9
523.20245	2.0
524.20764	1.8
525.21594	1.0
528.16193	5.0
529.16614	0.6
535.16736	0.8
536.17047	4.3
537.17236	1.2
540.20667	0.5
551.19385	2.9
552.19110	0.6
555.18903	9.1
556.19287	2.4
568.19159	0.4
583.22095	1.4
585.19952	2.8
586.20520	0.8
615.24976	1.1
627.21234	5.3
628.21259	1.3
659.23633	100.0
660.23877	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.8
57.03432	3.1
57.34079	0.6
57.66676	0.8
59.01377	20.8
61.98820	3.2
65.77333	0.8
67.01940	0.9
69.03452	0.8
69.36880	4.0
69.37284	1.3
71.01372	6.8
73.02934	3.3
75.00877	0.8
76.83678	0.7
83.01414	1.7
85.02946	2.8
87.00870	1.0
88.98827	1.0
89.02420	3.1
91.98483	0.8
95.04996	1.0
96.96011	1.8
99.00886	1.1
99.04503	2.5
99.74750	0.6
101.02433	5.6
104.05122	0.9
108.04552	1.5
113.02441	2.8
115.00348	1.7
115.92057	0.9
116.92825	1.0
119.03476	1.8
120.04558	13.0
121.05356	1.4
122.06104	5.7
125.02453	1.7
127.47128	0.7
132.04553	21.4
133.01434	1.5
133.04832	0.9
134.06119	2.7
135.06880	0.9
135.08072	0.7
135.55400	0.6
136.04045	0.7
136.07701	9.3
139.03951	0.7
143.03450	1.0
144.04517	2.5
149.06038	1.1
150.05585	2.4
159.04517	6.5
161.04497	0.9
161.07175	1.0
162.05728	1.0
165.05556	0.7
168.06641	7.5
171.11798	2.1
174.01662	0.9
176.03517	18.5
177.03830	0.7
179.05598	1.4
179.07074	0.8
188.03508	2.1
198.35542	0.7
199.10027	1.0
201.34439	0.7
203.03506	2.9
214.12366	8.9
227.08220	3.0
229.09848	3.8
230.11810	4.0
241.09834	7.7
242.10652	12.8
255.11345	1.3
257.12952	69.9
258.13300	4.5
270.68964	0.7
283.10791	2.1
301.11923	100.0
302.12204	6.1
309.07709	0.8
313.11896	5.2
314.12555	0.9
357.10907	38.7
358.11316	2.1
361.89651	0.9
363.75531	0.7
389.13403	1.2
411.20081	0.9
519.75391	0.9
543.15234	1.2
597.23608	3.8
599.34247	1.6
599.61932	0.7
615.24585	2.5
659.19568	5.0
659.35876	2.1
660.19391	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18688	1.3
55.18612	1.5
57.03439	3.2
57.26814	1.6
59.01378	24.4
60.93591	1.3
61.98823	7.4
69.20706	1.3
71.01384	12.0
71.50935	1.5
72.99337	1.5
81.03502	1.8
81.48385	1.8
83.05029	3.2
85.02937	3.0
85.06592	1.7
89.02422	5.8
92.92324	1.5
93.59956	1.3
96.96014	3.1
97.06599	2.8
99.94904	1.2
101.02457	8.6
101.79099	1.4
106.06592	2.7
109.02980	1.6
113.02451	4.2
123.08218	1.8
125.02415	2.9
125.09734	9.3
134.06117	1.4
135.08118	4.8
137.09694	2.0
152.89415	1.4
171.10263	19.6
175.11188	1.5
183.13857	6.0
201.01833	2.4
202.54675	1.5
205.15938	4.2
209.11801	6.9
211.13383	12.6
215.14331	3.2
227.12811	2.3
231.13846	2.1
233.15482	37.4
234.15749	1.5
249.14996	9.2
251.16216	2.0
253.09306	3.2
255.11313	1.3
285.04129	2.7
288.41910	1.5
323.23694	1.7
328.29663	1.5
331.26489	1.9
341.24594	2.6
351.12964	1.6
359.25876	1.4
375.25400	1.9
385.23871	8.1
403.24844	19.6
404.25266	1.6
421.25854	13.0
461.31287	1.8
581.23523	1.8
625.22717	3.4
639.33942	34.4
640.34229	5.4
657.25061	9.0
657.34729	100.0
658.25909	2.9
658.35199	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	659.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.6
59.47897	1.9
70.39083	2.0
73.02948	2.6
75.00875	26.6
75.38547	1.8
98.20683	4.9
103.00382	21.5
105.48062	1.6
110.80415	1.8
141.01729	3.1
141.10054	1.7
197.25671	1.9
200.06316	2.0
228.93877	2.0
245.48616	2.0
281.39789	2.0
355.36819	2.1
425.16324	4.6
452.10602	3.2
453.16055	8.9
454.15967	3.1
455.17346	9.7
456.18103	3.5
457.18793	4.1
467.13272	6.1
468.18192	26.9
469.11853	4.0
469.18594	10.6
473.18286	7.7
481.15063	7.2
483.13394	4.7
483.20370	68.0
484.21051	10.8
488.17325	9.6
493.18863	4.1
495.16824	8.0
495.78189	2.2
496.17685	38.5
497.17896	8.4
500.17050	28.8
501.17484	16.8
510.15292	20.1
511.20029	91.2
512.13220	11.3
512.20300	17.1
513.13977	4.9
513.21545	4.6
514.19232	2.5
524.17236	8.2
525.17725	2.6
526.14825	27.3
527.14978	14.7
528.16418	22.0
539.19409	6.9
543.21692	9.7
544.19104	10.9
555.18964	27.6
556.19208	6.7
560.19147	4.7
561.19751	7.9
562.19989	2.1
571.18280	9.7
573.19849	3.3
583.18451	25.1
584.18817	3.2
587.21576	24.7
588.20959	6.5
589.19489	4.3
599.17926	60.7
600.18292	20.9
615.20996	80.4
616.21442	17.0
627.17078	17.8
628.17981	5.7
632.17517	9.0
633.18036	2.7
659.19965	100.0
660.20044	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	657.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.0
58.12480	0.8
58.13492	0.7
58.29668	0.7
59.01374	5.9
61.06860	0.9
61.98817	1.3
69.16632	0.8
71.01379	5.7
71.49477	0.9
83.05030	0.9
85.02935	1.6
89.02431	2.8
95.01385	0.9
97.06608	0.9
101.02434	4.8
109.06581	0.9
111.08153	1.5
113.02466	2.6
115.00340	0.9
119.03486	1.4
130.04193	2.3
157.69992	0.7
159.04491	8.5
161.04485	1.7
165.12827	12.0
183.13882	100.0
184.14238	4.7
193.12346	2.0
203.03496	9.8
209.11880	3.7
211.13376	89.8
212.13667	4.9
227.12852	7.1
235.08208	3.0
237.85957	0.9
253.09286	5.7
263.53516	0.9
388.98248	0.9
405.67712	1.0
445.20767	2.6
447.22385	2.3
463.21619	6.1
464.22104	1.2
566.94598	0.8
657.34808	93.4
658.24371	0.7
658.35126	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60922	1.5
57.03436	4.4
59.01071	1.8
59.01378	27.8
61.98837	8.7
69.03460	1.9
71.01382	10.9
83.01413	1.4
83.05009	4.6
85.02927	4.1
85.06574	2.4
89.02428	5.8
96.95999	4.5
97.06586	2.1
98.19766	2.5
99.04494	1.6
101.02449	6.7
106.06628	2.6
111.08135	2.0
113.02441	5.9
116.00592	1.7
119.03468	1.5
123.08178	1.7
125.02438	2.8
125.09733	9.9
134.06079	2.3
135.08153	5.2
149.02499	1.7
159.55914	1.4
161.04536	2.7
171.10255	16.8
179.05554	1.7
183.13872	5.2
201.01987	1.4
205.15990	2.7
207.13940	1.9
209.11777	6.7
211.13351	12.5
215.14342	4.1
215.61729	1.5
227.12808	3.5
231.13770	3.8
233.15445	36.8
234.15915	2.5
249.14914	9.3
253.09152	2.6
255.11340	2.1
285.04007	2.3
331.26382	3.7
341.25043	2.1
359.25452	2.6
367.22580	2.2
375.25241	2.3
377.26697	1.5
385.23767	10.8
403.24829	23.0
404.25009	2.5
421.25778	12.5
581.23267	3.0
625.22528	5.1
639.23169	2.1
639.33838	37.1
640.33759	4.5
657.25281	10.3
657.34833	100.0
658.25891	2.5
658.35254	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	657.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42654	0.5
61.45441	0.7
62.52057	0.6
71.29195	0.7
102.04765	1.5
103.05529	3.6
104.92231	0.6
130.04248	20.1
131.04953	2.0
135.04539	0.6
147.04549	0.7
149.06091	7.9
150.06470	0.9
159.04512	100.0
160.04869	4.2
176.28102	0.7
203.03500	97.8
204.03775	4.2
209.11841	2.1
211.13446	1.4
228.27019	0.8
263.12189	0.6
451.24960	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	655.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22776	0.2
67.01894	0.3
70.35765	0.7
75.68257	0.2
75.80420	0.2
78.03392	0.2
78.95905	0.9
85.55082	0.2
93.03454	0.3
93.80409	0.2
117.03493	0.2
121.02959	0.7
145.02939	1.3
146.03732	2.5
149.02448	0.4
161.02452	1.6
173.02429	27.0
174.03206	78.8
175.03560	3.3
189.02014	2.5
189.05560	41.9
190.05894	1.5
201.01889	0.4
218.02156	3.1
233.04530	100.0
234.04886	4.6
250.80569	0.2
322.92020	0.2
389.51709	0.2
655.30676	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40760	2.2
59.01378	100.0
61.98826	11.6
68.05821	1.8
69.03453	3.8
71.01375	16.6
75.00852	2.2
81.54496	2.1
82.02029	2.5
85.02975	2.3
87.00858	4.1
88.82693	2.8
89.02444	12.5
93.24046	2.2
95.01372	3.2
95.95606	2.3
96.99307	4.4
97.02943	5.9
101.02436	8.8
110.84453	2.0
113.02441	3.6
114.93461	2.1
114.94883	3.0
119.03497	3.2
125.02470	4.2
141.01715	61.6
142.05119	12.9
164.95335	2.3
235.08333	4.4
255.23351	18.0
256.23605	14.8
257.23978	6.3
275.06305	2.7
277.21722	6.9
339.00153	8.2
359.21558	2.5
397.13544	6.0
398.13980	10.4
399.13831	14.2
415.14529	4.5
417.15100	8.5
473.23453	7.9
535.27509	3.2
547.22772	3.6
584.21246	2.6
618.89215	2.5
623.23804	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	656.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78506	1.2
61.98824	24.3
64.85110	1.2
75.00904	1.8
81.93174	1.1
82.04135	6.2
92.90349	1.2
98.19872	4.2
107.01370	1.3
107.68850	1.4
133.01451	1.4
135.04489	2.4
159.04498	1.9
163.00342	2.3
178.53976	1.3
179.03439	2.1
185.06131	1.3
187.03944	2.4
203.03491	1.4
213.05392	1.4
227.03499	20.3
228.04039	1.3
229.05103	6.1
239.03441	1.6
255.02971	34.3
256.03516	4.0
257.04541	5.7
284.03259	53.3
285.04028	68.2
286.04358	4.2
396.82480	1.5
593.15082	100.0
594.15259	16.5
656.36011	1.3
657.37610	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	15.8
59.47364	1.7
60.87626	1.7
61.98817	3.4
66.20823	2.0
69.21407	18.1
71.01371	3.7
74.80958	2.0
80.05047	12.8
82.35895	1.8
92.05022	1.8
94.06560	2.7
98.20706	2.6
104.05048	2.8
106.06632	4.2
108.04559	8.4
120.03680	3.7
120.04549	71.5
120.08177	3.7
121.05296	3.2
122.06122	35.3
123.06470	2.1
130.06676	2.4
132.04543	5.2
134.06143	14.7
138.05594	16.0
148.04071	6.5
150.05598	24.0
152.07175	7.4
160.04044	4.5
160.06413	7.9
161.04872	3.1
161.21849	1.7
162.05652	2.1
168.06631	22.1
174.05606	7.1
178.28473	1.7
183.13893	3.0
190.05086	5.0
198.12897	2.5
211.08745	2.5
211.13394	3.4
213.10300	51.4
214.10649	2.5
223.08769	4.8
224.09682	2.0
225.10338	4.5
226.11034	3.7
231.11365	2.5
236.09589	1.9
239.11852	24.9
241.13394	25.3
242.13806	3.0
243.11339	5.4
251.12016	3.8
253.09618	2.3
261.12494	6.6
263.08206	4.8
265.09946	2.1
277.09601	1.7
281.09259	5.0
285.12427	89.0
286.12717	6.3
288.48990	2.0
291.07684	4.3
293.09360	5.9
293.12985	13.2
297.12448	2.0
309.08743	4.9
311.10349	14.0
315.13437	2.3
316.14435	3.8
321.08777	7.0
323.10391	3.6
327.09796	1.7
328.10925	5.2
329.11432	5.4
330.12125	3.6
339.09781	23.5
340.10379	2.5
340.14493	6.0
341.11435	6.4
342.12466	7.4
343.13242	6.5
344.13803	3.7
353.11438	2.5
354.12497	2.6
356.14145	2.6
357.14865	3.2
358.15536	33.3
359.16141	5.8
368.10056	2.8
369.14352	3.2
370.15842	2.8
371.12476	12.0
382.11539	2.3
382.15854	2.4
384.13208	9.5
385.14169	4.5
397.14059	3.8
398.15036	9.1
400.16531	29.1
410.15048	3.3
412.16364	6.8
444.15424	2.5
455.96320	1.9
509.21915	2.4
521.21613	2.0
532.05969	2.5
533.21875	2.4
535.23254	4.0
539.23090	10.1
540.23450	2.3
551.22961	31.9
552.23059	4.4
563.22974	68.9
564.23145	10.5
581.24036	60.3
582.24194	6.2
584.23077	4.4
585.22235	2.3
595.21814	26.3
596.22552	2.3
607.21924	53.3
608.22211	8.0
625.22980	100.0
626.23499	13.0
627.24451	9.2
628.24652	2.1
636.14111	1.9
639.24829	20.0
657.25696	29.6
657.35242	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	653.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.3
57.03454	1.1
58.00591	1.9
59.01382	46.3
59.84645	0.2
60.01717	0.4
61.41710	0.3
68.99800	0.4
69.03468	2.0
69.22253	0.7
69.22662	1.4
71.01385	35.7
72.01725	0.6
72.99310	2.4
73.02951	6.8
73.17310	0.2
74.76807	0.2
75.00871	0.8
79.01891	0.3
81.03463	1.5
83.01388	3.8
85.02956	7.9
86.00071	0.3
87.00881	9.0
87.04497	0.3
89.02449	34.4
90.02788	0.5
91.04035	0.8
93.03455	0.4
94.99201	0.3
95.01395	2.6
97.02959	6.0
99.00884	2.6
99.04528	0.5
101.02447	30.3
102.02780	0.6
103.00393	0.4
103.04021	0.5
109.02951	0.5
111.00893	0.9
111.04512	1.3
112.01605	0.4
113.02454	14.1
115.04011	0.7
119.03506	9.6
119.04340	0.5
120.03857	0.3
121.02946	0.8
124.01668	0.7
125.02454	13.2
126.02806	0.3
127.04028	0.6
129.02013	0.4
131.03535	1.5
133.05077	1.1
137.02444	0.3
139.04024	0.9
141.01938	0.8
143.03502	5.8
149.04556	1.2
161.04568	7.5
167.03506	1.0
169.05064	0.7
176.53404	0.2
179.05612	6.6
181.04988	0.3
185.04596	0.6
199.06137	0.6
203.05583	0.4
217.07188	1.0
219.05083	0.3
221.06671	2.5
235.08231	13.7
236.08643	0.5
245.06674	1.0
253.09312	3.6
255.23294	100.0
256.23615	6.6
263.07767	1.8
269.24841	0.5
277.09274	1.0
287.07697	3.1
297.24252	0.5
305.08768	4.2
323.09906	2.0
361.11414	0.6
379.12396	1.2
397.13498	77.6
398.13873	5.3
415.14569	30.0
416.14890	2.0
483.96637	0.3
545.22162	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03273	1.0
59.80255	1.0
60.33234	0.9
61.98830	100.0
69.49802	1.0
70.19690	1.0
71.49608	1.1
79.80241	0.9
87.77166	0.9
215.84456	1.2
261.25290	1.1
311.76477	1.2
331.08182	1.2
385.39142	1.1
453.79120	1.2
516.48602	1.1
536.46332	1.4
538.32855	1.1
642.50073	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	654.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19449	0.6
61.98829	100.0
64.32996	0.5
70.45246	1.6
70.50896	0.5
127.60872	0.5
130.67270	0.6
203.99234	0.6
258.86664	0.6
455.34512	0.6
543.69922	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14919	0.7
59.01374	18.2
60.07918	0.7
69.50890	4.6
71.01386	10.8
72.99287	1.0
73.02943	15.7
75.00863	2.5
76.24696	0.6
80.54760	0.7
83.01373	3.2
85.02942	1.0
87.00900	0.7
89.02441	2.3
96.96068	0.7
101.02439	8.5
102.60587	0.7
103.95116	0.7
109.02889	0.9
113.02431	2.8
115.00373	2.3
133.01414	4.3
133.02908	0.7
135.04517	15.6
136.04816	0.8
161.04622	1.0
173.72842	0.7
179.01920	0.9
179.03471	12.5
200.05757	0.7
211.03989	27.7
212.04530	2.7
227.07121	100.0
227.31790	0.7
228.07431	5.7
315.08749	1.0
359.13235	1.1
407.13647	1.5
449.14487	64.1
450.14905	3.9
495.12830	1.2
521.11102	1.1
539.11096	1.5
539.18274	1.7
587.79669	0.8
611.32410	1.4
655.15192	1.5
655.25452	1.0
655.35498	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	653.375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.6
57.03436	1.1
58.00583	1.6
59.01379	44.5
60.01722	0.4
61.98846	0.4
68.99808	0.9
69.03465	2.7
71.01382	37.1
71.81647	0.4
72.01695	0.8
72.99302	2.3
73.02946	7.5
75.00861	0.8
81.03441	1.5
83.01383	4.7
85.02951	7.9
85.59370	0.3
87.00874	8.5
89.02444	32.5
91.03999	0.9
93.03485	0.5
95.01383	2.8
95.05010	0.4
97.02949	6.8
99.00886	2.0
99.04513	0.8
101.02443	29.4
103.03999	0.4
109.02937	0.5
110.21066	0.4
111.00896	0.9
111.04506	1.1
111.82784	0.4
113.02448	13.7
115.04032	0.7
119.03505	10.4
121.02975	0.7
125.02448	12.7
127.03993	0.5
131.03484	1.5
133.05106	1.1
139.04004	1.2
143.03497	5.8
149.04530	0.9
161.04527	7.3
167.03481	0.7
171.03004	0.5
178.13493	0.5
179.05603	6.8
185.04524	0.9
199.06183	0.5
217.07184	1.1
221.06699	2.6
235.08215	13.1
245.06544	0.7
253.09230	3.6
255.23277	100.0
256.23608	6.5
263.07724	1.3
269.24841	1.0
270.75937	0.4
277.09317	1.0
287.07675	3.2
305.08835	4.0
323.09741	2.0
361.11426	0.6
379.12399	0.8
397.13480	83.1
398.13806	4.7
415.14551	32.3
416.14771	1.9
545.22229	2.4
621.23706	1.1
635.25806	0.5
653.25995	0.9
653.36438	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.261
Annotation	Swietephragmin F
Peak:m/z	Relative Intensity
61.98829	42.1
71.26027	39.4
71.26346	33.7
105.43765	23.9
111.11349	21.8
130.55597	22.3
141.60103	22.2
215.42232	22.5
228.69226	22.9
239.22672	24.9
272.82678	29.0
285.90768	26.1
336.87000	23.3
382.78000	21.5
455.89978	23.7
470.50455	24.1
527.21002	34.5
559.23358	100.0
571.57306	27.8
577.25159	31.5
591.26031	93.5
603.22552	39.8
635.25299	32.8
653.25867	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81635	2.8
59.01377	7.8
61.98831	79.4
65.98911	3.1
67.81676	3.2
70.68340	6.6
71.01397	4.5
76.94039	3.5
83.11050	3.5
89.02428	7.9
181.07182	4.0
272.74255	3.5
276.08990	3.6
292.08719	3.4
317.71417	3.7
459.21472	10.4
471.34900	21.5
472.16229	3.3
472.35150	26.8
473.35291	22.4
474.21677	6.4
484.19333	8.6
485.19934	5.0
499.21420	20.8
500.21909	11.3
501.23145	26.1
502.21661	7.0
516.22827	21.6
517.22369	8.0
518.23395	3.9
527.20593	28.3
528.21228	5.4
531.23907	15.2
533.25244	22.9
534.24695	5.0
543.20178	3.5
544.20972	9.7
545.21613	7.9
559.23480	100.0
560.23718	19.0
571.19928	16.6
572.20313	4.3
573.25421	4.3
577.24512	23.3
578.23651	7.2
591.26025	88.5
592.26227	9.4
603.22571	21.3
604.22766	4.8
621.23407	4.4
635.24768	30.4
653.26422	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	653.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66713	0.2
61.98804	0.2
62.96399	0.6
69.92725	1.0
78.95904	100.0
81.91977	0.3
88.96763	0.2
92.70180	0.2
94.77769	0.3
98.19864	0.3
106.86534	0.2
115.78405	0.3
149.00092	5.6
170.04478	0.3
179.01088	0.3
187.32823	0.2
205.15981	2.4
232.45004	0.3
257.15463	0.3
285.12613	3.6
337.90787	0.3
355.16751	2.4
382.41669	0.3
385.17639	1.1
417.12308	0.6
447.13388	5.6
448.13864	0.3
652.28656	0.3
653.30115	53.9
654.30426	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	653.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.5
58.00587	0.7
59.01375	12.3
61.98833	4.0
64.17217	0.5
66.71960	0.5
69.03446	1.1
70.64774	0.8
70.65112	1.2
71.01381	13.8
72.99309	1.6
73.02935	3.1
75.00872	15.9
83.01398	1.0
83.05024	0.9
85.02947	2.3
87.00840	1.0
87.04513	5.2
88.98814	0.7
89.02448	2.0
95.01347	0.7
96.96016	1.8
97.02943	0.9
99.00859	1.1
99.04531	0.7
101.02444	5.0
102.05619	0.8
102.31157	0.6
107.05082	0.7
109.02927	1.3
111.04533	0.8
113.02434	2.5
115.00360	5.6
116.92875	1.1
119.03499	0.9
121.02938	1.7
123.04505	0.6
125.02445	1.4
128.03525	1.8
133.01433	1.6
133.02954	1.4
134.03738	39.0
135.04436	1.2
137.02463	7.2
137.09691	3.8
139.03999	2.7
139.07620	1.2
141.09233	0.7
149.06071	14.0
150.03191	1.2
151.40900	0.7
153.01906	0.9
155.10780	14.9
156.11099	0.9
159.04517	0.8
161.02429	0.6
161.04597	0.6
163.11249	0.9
169.12296	1.6
178.02711	28.7
179.03294	1.5
179.10809	2.7
181.08659	2.3
191.10817	1.4
193.05049	100.0
194.05405	2.8
195.10294	1.5
199.09752	23.0
213.11249	1.1
241.10811	7.8
253.10812	1.5
255.12381	1.4
269.04791	0.7
283.11841	12.7
343.13983	18.0
344.14365	1.1
375.27429	1.0
445.37653	0.6
537.19769	13.7
538.20233	1.9
549.35986	1.2
653.20374	1.1
653.22491	0.7
653.38263	19.4
654.37671	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	3.0
59.01379	48.2
60.52751	2.1
61.98825	5.2
69.03452	2.2
70.63924	7.0
71.01387	22.9
72.99296	3.3
73.02950	30.4
75.00878	3.0
83.01384	8.8
85.02955	6.3
87.00880	4.1
89.02440	5.5
97.02951	2.9
97.17863	2.1
99.00858	2.6
101.02438	37.9
106.57296	2.3
113.02446	7.4
116.92842	3.8
119.03483	3.4
121.03011	5.2
131.03482	6.3
132.05824	3.7
143.03508	4.5
161.04573	3.2
162.39609	2.6
163.06123	3.8
169.06535	3.2
185.09711	7.7
187.11290	4.6
189.09177	3.5
191.03206	2.0
199.07626	7.5
200.08376	3.2
205.07127	4.3
215.10742	9.7
253.04459	2.7
259.09735	100.0
260.10083	5.0
273.11234	2.5
301.10803	4.5
343.12036	3.3
353.57455	3.2
447.16565	6.5
630.01910	2.6
653.39575	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	653.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.4
58.00580	0.9
59.01375	10.3
61.98833	1.6
71.01380	14.5
72.99313	0.9
73.02917	4.0
75.00873	7.1
78.42688	0.9
79.63820	0.8
83.05021	1.9
85.02945	3.3
87.04514	7.7
89.02443	2.0
93.03441	1.2
96.95972	1.3
97.02946	1.8
99.00884	0.8
99.04513	1.4
101.02439	5.3
113.02447	2.4
115.00367	10.9
116.92854	2.1
121.02956	2.7
125.02467	1.6
133.02956	2.9
134.03743	63.0
135.04340	1.0
135.08055	0.8
137.02437	10.3
137.09717	6.2
139.03970	3.3
139.07593	1.3
139.11266	0.8
149.04907	1.4
149.06062	19.4
151.62868	0.7
155.10777	27.5
163.07564	1.2
163.11217	1.3
169.12337	1.3
177.09053	0.9
178.02702	41.1
178.68901	0.8
179.03262	1.4
179.10780	3.1
181.08658	2.1
191.10728	1.8
193.05045	100.0
194.05379	4.4
195.10220	2.5
199.09749	28.9
199.11613	1.4
201.01898	1.1
210.05006	0.8
213.11266	1.2
227.12686	0.8
229.33736	0.9
241.10767	8.3
253.10745	1.8
255.12314	2.1
257.77713	0.8
283.11838	15.0
284.12183	1.0
343.10049	1.5
343.13916	16.6
344.14288	1.0
500.94672	0.9
537.19769	52.6
538.20050	5.6
653.37091	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	653.1719
Annotation	Clemochinenoside B
Peak:m/z	Relative Intensity
51.27557	0.7
57.03408	1.0
59.01375	5.6
61.98812	1.7
63.02408	0.8
63.16775	0.8
66.77708	0.7
69.16891	7.9
69.17223	1.0
71.01365	3.3
73.02928	1.4
75.00850	1.7
96.95995	1.9
101.02403	2.3
109.02979	3.8
113.02461	1.3
115.00330	1.1
119.01329	1.1
123.04496	0.8
133.01404	2.0
135.00839	1.4
135.04483	3.6
137.02431	1.8
144.49486	0.8
146.37140	0.7
147.00908	4.7
147.04460	0.9
148.01611	3.9
149.02408	1.0
150.03218	1.8
159.04417	1.0
163.00360	12.4
165.01918	1.2
165.05574	2.1
175.00356	9.6
176.01071	2.8
177.01921	1.4
179.03511	2.5
179.49611	0.8
183.04425	2.0
184.05260	1.6
195.06535	1.6
199.03954	0.8
200.04781	2.7
211.03958	6.0
212.04726	2.1
213.01888	1.0
213.05507	1.3
223.03902	1.4
227.03447	6.4
228.04263	7.6
229.04842	1.5
239.03464	7.0
240.04195	4.8
241.04993	2.1
251.03647	0.8
255.02960	10.9
256.03735	11.8
257.04367	3.2
267.02963	13.6
268.03470	1.6
273.99606	0.8
283.02478	13.7
284.03207	7.4
285.04019	10.3
312.02725	100.0
313.03397	23.4
314.03793	1.6
314.07449	0.8
344.05228	1.4
345.06171	3.7
385.18832	0.8
405.25064	0.9
493.11575	1.2
519.37939	0.9
526.90204	0.9
580.75159	1.0
609.31354	4.0
621.14551	63.6
622.14917	9.2
653.17078	55.4
653.33875	2.0
654.17334	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	651.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88707	2.3
52.13364	2.4
58.34113	2.8
59.01392	14.0
65.99851	6.1
68.99814	4.0
69.69859	11.4
71.01377	16.8
82.03014	2.6
84.04552	2.5
94.02988	49.0
94.06637	4.2
96.04544	22.3
97.01639	2.9
98.20600	3.9
100.78617	3.0
109.02978	5.2
110.06155	3.1
112.04046	5.1
115.00360	9.5
120.02128	2.8
120.04532	7.8
121.05338	3.4
122.06118	63.1
123.03251	4.8
124.07688	20.9
133.01433	6.0
133.02959	3.0
134.03738	29.8
134.06126	8.1
135.04575	3.0
135.06938	3.1
136.03976	3.7
136.07648	10.6
138.05624	12.5
142.42726	2.6
148.04036	53.1
149.04765	5.5
149.06027	4.1
150.03253	2.7
150.05569	5.2
150.09248	5.6
160.04045	3.8
161.04765	6.1
161.07240	4.9
162.05569	7.4
164.07156	17.7
167.05859	7.9
174.05566	8.4
175.08633	3.4
176.07147	12.1
178.08743	3.5
179.03421	4.7
188.07146	5.3
190.08658	5.4
192.89665	3.2
193.05049	57.8
194.05370	5.1
200.07274	5.2
201.06624	6.2
204.06642	7.5
214.08694	4.5
215.08266	5.6
217.09810	42.2
219.11357	33.5
223.08682	4.6
225.10362	3.1
228.10222	9.2
229.06129	25.0
229.09758	3.6
240.09035	3.2
242.06934	4.5
243.07695	14.1
243.11256	3.4
244.08495	15.1
251.08209	3.2
252.08960	7.1
253.09799	23.6
254.10289	4.3
256.08487	9.5
257.09247	11.9
261.08624	5.4
263.10342	95.7
264.10764	6.9
265.09790	3.4
267.11252	3.0
270.10150	9.2
271.10861	49.6
272.11627	13.8
282.10120	4.2
283.10770	10.8
284.07956	7.8
285.04105	3.9
285.12311	3.9
314.09039	4.7
315.09796	18.5
316.10635	61.3
317.11096	4.8
328.10611	3.7
346.11887	3.3
352.16486	4.7
369.14621	5.0
369.19250	3.4
376.16525	15.5
392.16193	3.6
394.17697	43.8
406.17505	7.5
407.18353	3.6
420.15665	5.0
424.18869	17.7
425.19516	3.9
432.15384	5.4
436.15353	3.4
438.16608	13.2
450.16843	29.7
451.17401	18.1
452.18085	8.5
468.17719	77.7
469.18134	18.7
470.18842	3.1
573.23352	5.5
589.26691	7.2
591.24512	21.9
615.24829	24.9
633.25586	100.0
634.25818	15.7
651.16681	3.9
651.26764	44.3
652.27209	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2462
Annotation	Trichagmalin B
Peak:m/z	Relative Intensity
61.98830	1.8
62.59332	1.4
63.18120	1.4
68.00711	1.1
78.95898	1.5
196.99689	1.3
219.43036	1.3
262.91501	1.3
268.43781	1.5
433.20398	13.3
433.25800	2.3
446.17902	1.6
475.14026	2.1
490.16476	20.7
491.16406	2.7
505.18875	4.4
575.23022	2.2
579.66315	1.5
592.23254	100.0
593.23688	17.3
607.25903	2.5
651.24500	5.4
681.03815	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	651.2457
Annotation	Acetylpringleine
Peak:m/z	Relative Intensity
52.68804	0.6
59.01365	2.0
61.98833	1.7
66.71107	0.5
71.01405	1.5
71.06734	1.2
80.96529	1.4
89.02446	1.7
93.03457	2.0
101.02471	0.9
104.32507	0.6
122.06106	0.7
137.02441	2.5
221.34772	0.7
253.21657	1.8
303.66226	0.6
397.13550	1.7
415.14557	3.6
461.16022	0.9
489.15616	8.9
490.16248	1.4
491.17227	8.2
492.17639	1.2
503.17242	1.7
504.17984	2.2
505.18710	4.7
521.21960	0.9
545.18341	2.6
546.19092	0.8
549.18127	0.7
577.26581	1.9
591.22449	18.5
592.22821	3.0
619.22058	1.9
651.24579	100.0
652.24823	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	651.2458
Annotation	Trichagmalin B
Peak:m/z	Relative Intensity
78.22128	3.5
79.06846	3.9
128.00266	3.5
137.71880	4.2
222.89540	3.9
403.18970	4.3
431.18140	5.0
434.16473	4.3
445.20029	11.0
446.20938	20.6
460.22430	8.0
461.23572	54.8
462.23660	5.4
473.19699	8.2
479.24438	9.7
488.22189	15.0
504.21469	7.4
505.22449	33.2
519.23950	12.6
520.24457	7.5
521.25208	4.8
532.21021	7.1
547.23480	5.1
564.23822	100.0
565.24091	16.8
575.23273	7.0
576.20197	54.8
577.20233	12.2
592.23169	5.0
594.55853	4.2
619.21912	79.6
620.22369	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	651.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43260	0.7
57.03448	100.0
58.03797	0.8
59.01376	20.2
61.29544	0.8
61.98830	2.0
64.98560	0.7
70.70023	1.4
71.01375	5.1
73.02943	9.1
81.03465	4.4
83.01398	1.0
97.02981	1.7
99.04518	82.1
100.04873	2.0
101.02447	20.2
113.02421	1.2
123.04544	1.7
125.02446	67.2
126.02796	1.7
127.05137	1.0
143.03505	2.1
169.06573	1.0
183.04570	1.3
185.09836	1.5
189.09236	3.3
198.03246	2.0
199.07637	32.5
199.09492	1.7
200.08072	1.4
201.09193	2.3
211.03989	20.6
211.05818	1.5
212.04677	5.4
215.10780	1.1
225.05524	1.6
227.07117	55.6
228.07518	3.0
239.10785	4.6
241.08707	3.6
259.09738	69.0
260.10150	3.2
261.97543	0.8
273.11420	3.3
301.10867	2.0
578.93579	0.9
598.38403	0.8
651.36749	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34166	2.7
56.01132	2.9
58.24659	2.9
59.01374	15.7
71.01395	26.3
71.49854	4.8
83.01393	2.9
87.00909	6.6
89.02449	4.3
93.03470	6.0
94.02985	6.7
96.96033	14.6
109.02958	5.6
113.02452	3.9
115.00396	22.3
119.05041	46.8
121.02954	8.7
122.06116	7.1
125.02393	3.3
127.18757	2.9
133.01450	40.1
133.03004	9.2
134.03790	15.3
135.04512	10.5
136.01634	3.6
137.02431	5.6
148.04027	6.0
151.03906	4.3
163.04033	100.0
163.05391	5.7
164.04294	4.5
164.07111	3.9
175.02481	6.4
175.03914	4.7
177.01978	4.1
179.03513	6.1
191.05675	3.7
193.05083	14.8
204.06715	3.2
217.09802	5.8
219.11266	4.7
255.02971	4.7
263.10287	13.6
267.52795	3.8
271.10864	6.4
279.05081	7.0
283.02426	5.1
284.03143	8.7
285.04153	9.7
297.04050	11.2
298.04776	6.6
299.05511	7.5
312.02667	9.0
313.03467	8.4
316.10654	9.5
327.05093	33.1
347.16232	3.0
357.06137	6.8
371.09641	3.9
394.17645	5.6
420.15674	3.7
429.08154	7.4
447.09665	4.2
468.17764	15.7
475.08786	17.9
489.10367	18.2
591.13660	3.9
615.24548	3.6
633.25842	19.3
651.15704	27.8
651.26819	11.5
652.16797	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	651.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	100.0
58.03777	1.2
59.01379	15.1
61.98818	1.2
66.53858	0.5
69.03460	0.7
71.01373	3.9
71.20846	0.7
73.02940	5.6
76.80683	0.5
79.05541	0.8
81.03457	4.0
81.69230	0.5
82.90956	0.5
83.01395	1.5
83.28799	0.4
91.71787	0.5
92.63747	0.6
95.01373	0.6
97.02971	0.8
97.22773	0.5
98.78986	0.5
99.04517	72.2
100.04848	1.7
101.02435	16.4
106.04253	0.6
113.02470	0.8
121.02961	2.2
123.04499	2.6
125.02443	44.0
126.02773	1.6
132.05812	4.0
139.21545	0.5
143.03473	1.7
159.04491	1.1
160.05276	1.3
161.04515	1.1
164.04742	1.5
169.06596	2.4
170.07365	1.7
172.05257	1.1
174.06807	0.6
183.08101	0.7
185.06082	1.7
185.09711	5.9
187.11252	2.7
189.09184	2.3
199.07661	3.1
200.08360	3.2
213.09097	0.6
215.10745	5.3
216.11009	0.6
220.24962	0.5
259.09720	63.2
260.10126	3.9
273.11273	3.9
301.10925	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	649.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	6.0
61.98825	1.1
63.02426	0.6
69.81216	1.1
69.81630	2.4
73.02921	1.0
85.02934	1.3
88.98835	0.7
89.02468	0.7
96.96010	6.2
99.04543	0.8
101.02435	1.5
107.01376	1.1
113.02470	1.2
115.92029	0.6
125.02380	0.7
133.01457	0.7
133.02902	0.8
134.03667	1.2
151.00328	1.8
211.03975	0.9
227.03265	0.9
250.80981	0.6
255.02956	44.4
256.03677	5.1
268.03619	1.1
269.04520	3.8
281.04599	0.8
283.02441	17.6
284.03220	88.6
285.03796	11.2
286.04199	0.6
297.04001	13.4
298.04770	9.9
299.05569	100.0
300.05908	6.0
470.08493	0.8
485.10596	1.3
489.10272	0.9
545.33441	1.0
589.15094	2.5
607.16583	6.5
608.17029	1.1
649.17627	91.9
650.17834	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	649.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61402	2.9
57.03442	6.1
59.01384	71.7
59.81404	2.8
60.49681	3.5
61.04564	2.6
61.98832	15.1
69.03444	4.6
70.65063	6.3
71.01381	20.2
73.02953	8.7
80.05054	13.8
85.02948	8.3
87.04490	3.0
88.77743	3.0
88.98823	4.0
89.02447	10.2
95.05032	2.9
96.96001	7.4
97.02932	4.2
99.00942	4.3
99.04526	5.3
101.02436	11.4
106.06638	35.6
108.08186	9.1
113.02452	8.6
116.92834	5.2
120.08178	13.4
122.02472	3.2
122.06133	24.6
123.03254	5.1
123.04562	4.3
124.07681	13.9
125.02448	3.2
132.08194	4.1
133.01456	3.0
134.06122	12.2
135.04520	7.4
136.04048	4.5
138.05612	10.2
146.06168	7.7
148.04082	7.1
150.05574	13.0
152.07176	52.1
154.93150	3.1
161.04727	3.9
164.07108	5.4
178.02577	3.6
178.05186	5.6
179.03506	7.7
179.05635	4.2
186.12892	8.3
196.06174	37.2
197.06686	3.7
201.01912	6.0
216.70955	3.4
227.11858	10.2
228.10402	4.3
230.11761	6.9
232.13379	3.7
239.08224	3.1
239.11862	9.8
239.88339	2.9
240.09048	4.2
253.09781	9.7
255.11395	36.5
257.12952	30.8
258.11026	3.1
267.11392	7.4
269.12860	9.1
271.14542	6.5
274.11002	4.1
281.12915	5.7
283.10895	17.9
283.14252	3.2
285.12415	20.4
294.35983	4.2
295.10992	7.3
297.12457	9.8
299.10678	6.1
299.14072	9.8
301.12042	7.1
303.13470	8.7
313.12149	3.3
325.11902	5.1
343.13098	18.5
374.18796	6.4
420.19055	4.4
448.18832	12.7
450.20331	14.5
456.26437	4.0
464.18155	4.1
492.17938	18.9
494.19278	33.3
495.19775	5.3
500.25403	4.0
525.25098	26.9
544.24750	19.2
545.24786	4.0
545.33173	15.2
563.34155	4.2
569.24060	68.0
570.24225	15.0
587.25153	100.0
587.34436	5.1
588.24658	13.3
589.35858	7.0
613.23505	4.8
631.24133	43.7
632.24274	6.5
649.25116	25.8
649.36090	5.3
650.25073	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	649.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29448	0.4
54.44103	0.4
62.88906	0.4
70.77957	1.0
71.01376	10.7
72.99297	1.8
77.05382	0.4
82.76081	0.4
85.02965	1.3
87.00883	0.6
89.02457	1.1
93.03476	0.8
109.89852	0.5
115.00366	27.6
133.01425	100.0
134.01778	2.1
134.03722	1.8
135.04520	20.4
136.04849	0.9
151.74469	0.5
161.02475	0.9
179.03500	25.0
180.03937	0.9
191.05611	23.7
192.06012	0.7
206.60893	0.5
220.70300	0.6
295.04474	4.2
353.08719	3.2
467.15567	0.5
539.62201	0.5
619.13068	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	9.0
60.30337	0.6
64.65761	0.6
69.32897	2.1
69.33324	2.5
71.01374	11.8
72.99301	2.2
73.02953	0.6
85.02946	2.3
89.02444	2.4
93.03452	0.9
101.01810	0.6
101.02417	0.9
111.04510	0.8
113.02423	0.8
115.00366	31.8
123.88686	0.6
133.01421	100.0
133.03004	3.8
134.01778	1.9
134.03676	1.7
135.04520	22.6
136.04866	0.7
151.80109	0.6
157.96321	0.6
173.04526	0.7
175.02499	0.7
177.01974	2.1
178.02217	0.8
179.03493	25.3
180.03859	1.2
191.05592	23.2
192.05948	1.3
192.36890	0.5
197.27016	0.5
221.10287	1.5
250.58676	0.5
263.11420	0.6
295.04538	4.8
327.01263	0.5
341.10886	1.7
353.08606	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	6.2
67.87839	1.1
71.01379	3.6
71.50044	1.7
73.02924	1.5
78.94169	1.2
90.20560	1.0
91.19165	1.2
93.03444	3.5
93.42513	1.3
94.73046	1.0
115.00378	1.5
117.03485	9.4
119.04994	1.7
127.16043	1.1
133.01402	1.3
135.04492	3.8
146.06099	2.2
147.04510	1.5
149.02403	2.0
159.04515	1.6
161.02444	3.3
163.03989	2.6
175.03975	3.5
177.02036	1.9
177.05540	3.2
191.03537	2.8
203.03484	2.6
205.05037	1.4
221.04561	1.9
255.11383	1.6
267.06451	2.3
268.07300	2.3
269.04654	1.7
281.04593	2.7
282.05304	4.6
283.06119	6.1
295.06094	8.1
296.06848	5.6
297.07681	27.0
298.08081	2.1
301.11301	1.2
307.06055	4.2
308.06656	2.0
309.07623	5.7
311.05548	6.6
323.05594	5.3
324.06226	1.9
325.07242	12.0
328.05768	6.4
335.05573	3.3
337.07208	5.7
338.08047	1.3
341.06729	2.8
353.06656	49.0
354.07083	6.9
355.08319	2.8
356.05295	1.8
364.17059	1.3
365.06586	14.1
383.07758	46.1
384.08057	3.7
395.07626	4.2
407.07553	1.8
413.08820	9.3
423.17935	1.6
425.08914	5.7
429.08353	1.3
443.09860	36.6
444.09839	4.4
455.09659	3.4
455.54947	1.2
473.10922	13.4
474.10999	2.0
515.11963	9.6
545.13159	7.3
563.14056	23.4
564.14514	2.3
587.14313	2.1
587.25104	2.0
588.14648	1.4
605.15149	100.0
606.15472	13.5
631.24158	1.8
649.24957	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	649.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41220	0.4
70.02113	2.2
71.01380	10.3
72.99308	1.7
85.02939	1.2
85.10278	0.5
87.00853	0.7
89.02450	1.0
93.03466	0.9
109.02931	0.7
115.00375	29.7
133.01430	100.0
134.01765	1.6
134.03764	2.4
135.04524	22.9
136.04874	1.3
145.35783	0.5
161.02448	0.6
171.72876	0.5
173.04539	0.7
177.01959	0.7
179.03497	25.1
180.03844	1.3
180.05341	0.5
191.05594	24.7
192.05875	0.8
193.05074	0.5
225.25931	0.5
242.05869	0.8
250.15846	0.5
252.37627	0.4
271.09799	1.1
295.04626	3.3
353.08737	2.8
359.07745	0.6
445.20865	0.4
462.02499	0.5
533.12537	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3949
Annotation	Uncarinic acid A
Peak:m/z	Relative Intensity
61.98832	0.5
68.93546	0.4
70.51504	1.4
82.30933	0.4
89.03971	0.6
95.05020	0.7
100.77206	0.5
105.03435	1.9
110.92722	0.4
111.91328	0.4
132.01401	0.5
132.02185	6.3
133.02960	18.2
134.03767	3.3
136.01691	0.5
147.04433	0.5
149.06052	2.0
160.01656	33.9
161.02153	1.0
175.03996	40.5
176.04349	1.7
177.01910	4.4
192.04268	0.6
193.05028	1.8
336.46576	0.5
338.74283	0.5
401.63083	0.5
453.33524	1.7
497.32565	1.1
550.47058	0.5
587.37012	0.6
632.37115	5.7
633.36700	0.7
647.39478	100.0
648.39850	17.0
648.48346	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50889	0.1
53.90257	0.2
59.01376	0.5
66.43932	0.2
71.01389	0.5
73.02946	0.2
80.02689	0.4
83.01369	0.2
96.36609	0.1
96.96008	0.4
108.02180	27.7
109.02502	0.4
123.04533	10.5
124.04854	0.5
133.01433	0.4
142.05579	0.2
152.01158	58.0
153.01482	1.7
161.02431	0.2
167.03502	100.0
168.03822	3.4
191.05605	0.6
245.09319	0.2
281.11981	0.2
307.09857	0.2
325.10928	0.5
487.17517	0.2
531.14740	0.2
647.22034	4.6
647.32837	0.2
648.22400	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.3
59.01377	25.9
60.99269	0.8
61.98812	3.7
69.03420	1.0
69.13812	9.2
71.01381	11.5
72.99308	1.7
73.02947	11.0
75.00814	1.3
83.01383	4.9
85.02939	3.6
87.00867	2.4
88.98811	0.9
89.02438	3.8
93.00118	1.0
96.95999	6.0
99.00871	5.6
99.04518	1.4
101.02441	10.7
109.02933	1.3
111.00866	2.9
113.02457	4.3
113.99587	37.9
115.00374	12.5
117.01961	1.0
119.03513	1.3
125.02454	1.9
128.01149	1.3
133.01349	1.3
135.04507	0.9
139.00395	1.0
149.04533	2.2
150.03214	1.6
156.00653	13.9
161.04532	3.3
165.05482	1.0
174.01683	100.0
175.02213	3.9
179.05569	1.3
191.05490	1.0
259.69479	0.8
267.11285	1.9
287.16522	4.3
296.37997	0.8
471.22269	2.9
503.24240	1.0
511.21756	12.9
512.21613	1.0
647.23737	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	647.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	58.5
59.01376	100.0
60.01702	1.1
61.98817	3.3
70.08975	0.9
71.01382	8.0
71.50566	1.1
73.02940	2.8
81.03450	2.4
85.02969	4.4
89.02437	4.1
95.01385	1.0
96.96010	6.5
97.02946	1.2
99.04515	67.7
100.04842	1.5
101.02443	14.8
108.04520	1.0
108.28825	1.0
113.02454	6.2
115.00367	2.1
116.92817	1.2
117.35579	0.8
119.03476	1.3
119.05038	4.0
120.05311	1.1
122.06120	1.8
125.02445	32.6
126.02743	1.7
133.01390	1.2
134.06158	1.7
135.08144	3.0
142.14374	0.8
143.03487	4.0
146.21376	0.8
161.04565	1.8
162.05568	3.1
163.03963	2.9
164.04405	1.3
188.03506	1.8
231.11415	1.4
252.08888	1.4
267.11380	2.1
273.12259	1.0
347.24850	0.8
399.23764	10.9
417.24911	2.3
441.25009	1.2
448.91196	0.9
459.26434	6.1
464.18036	0.9
493.30161	4.9
508.17276	5.5
543.31763	2.0
569.20258	2.3
629.22400	2.7
647.23590	1.4
647.39490	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	647.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84985	1.9
59.01377	6.9
61.98846	3.1
71.01382	19.6
71.49775	2.4
76.49519	1.9
83.01428	2.0
85.02956	6.6
89.03989	2.5
96.95954	2.7
106.59045	1.7
107.53505	1.8
108.02174	28.0
109.03015	2.5
114.32574	1.7
115.00346	7.1
116.92855	6.2
117.03468	5.5
123.04536	9.9
125.02441	1.8
133.01439	9.8
134.03738	48.3
135.04202	2.4
149.06094	6.1
152.01155	52.6
154.89893	2.3
161.02498	3.2
163.03969	2.3
167.03494	96.5
168.03864	3.4
177.01851	2.1
178.02696	4.9
191.05605	100.0
192.05988	3.1
193.05051	81.7
193.06819	3.9
194.05402	2.9
195.06526	2.0
337.09302	17.3
426.63431	2.2
505.58847	2.0
531.15454	3.6
589.68707	2.2
647.22278	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	647.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42317	0.2
57.03437	0.9
59.01379	2.5
71.01378	1.2
73.02949	0.2
79.95737	3.7
83.01419	0.2
85.02943	0.3
89.02432	0.9
92.17949	0.2
96.71847	0.2
96.96009	100.0
99.04526	0.6
99.92580	0.4
101.02444	1.0
113.02465	0.4
115.00373	0.5
116.92876	0.3
119.03486	0.4
125.02504	0.2
133.01463	0.3
133.02962	0.2
157.51039	0.3
161.04523	0.5
176.00587	0.2
179.05551	0.6
181.71947	0.2
191.05606	0.5
210.04173	0.2
243.03004	0.3
255.03090	0.4
271.02432	0.9
293.08212	0.7
300.02731	2.1
301.03403	0.8
339.05130	0.4
377.28055	0.2
413.21445	0.3
455.13593	0.2
505.09872	2.6
506.10519	0.3
647.29004	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.277
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29169	1.3
57.03442	13.2
59.01381	100.0
60.01718	1.9
61.98832	8.0
69.03452	3.6
71.01382	49.2
71.50206	2.4
72.99317	3.2
73.02951	16.2
73.33295	1.4
75.00842	1.5
79.50521	1.4
83.01400	8.4
85.02956	13.4
87.00889	3.9
88.98812	1.9
89.02447	39.1
95.01382	3.5
96.96021	27.5
99.00868	6.0
99.04515	15.6
101.02446	37.3
113.02464	28.7
115.00375	1.9
119.03505	16.4
119.05039	2.5
122.06104	1.9
123.04485	1.9
124.01626	1.6
125.02447	8.9
131.03540	3.7
133.01421	5.0
135.04486	3.2
139.04027	2.4
143.03508	6.4
148.91783	1.8
149.04521	8.1
161.04573	12.0
163.04028	5.2
165.01886	1.6
165.05533	1.5
168.00612	3.2
174.01776	1.6
179.05568	13.1
185.00912	3.2
191.05602	4.0
215.05701	1.7
221.76945	1.5
223.06131	2.2
274.58926	1.6
372.87881	2.0
387.92654	1.8
426.90634	1.5
460.83374	1.7
541.26471	19.0
542.26752	1.8
559.27515	13.1
645.20148	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	645.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00584	1.7
57.03450	17.6
57.09642	1.8
58.00557	2.4
59.01377	100.0
60.01724	1.9
61.98837	10.4
71.01380	52.5
71.49876	2.2
72.99305	4.0
73.02946	27.3
79.28419	1.9
83.01383	8.1
85.02947	11.8
89.02439	45.8
95.01368	3.4
96.96021	5.4
99.00877	3.6
99.04521	28.0
101.02441	37.8
113.02441	21.9
115.00360	9.4
119.03483	15.8
121.02988	2.8
125.02444	14.4
131.03481	4.3
133.01416	11.5
133.06596	3.0
135.04486	3.3
139.04063	3.5
139.17485	1.9
143.03537	5.6
149.04570	5.1
155.10747	2.5
156.00600	1.8
161.04510	12.3
163.04095	1.8
165.01933	3.2
174.01671	3.0
175.02475	2.2
179.03406	1.9
179.05592	8.5
180.04349	2.0
183.24118	2.1
193.05055	4.1
262.06186	3.0
268.97305	1.8
279.10300	10.2
305.08304	2.0
321.07516	2.7
322.07935	1.9
323.09259	18.0
485.14471	4.3
529.13037	9.1
601.21497	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	645.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92790	2.0
59.45103	1.9
61.12113	2.0
61.98812	3.4
68.05914	1.9
69.18486	12.2
69.18903	5.9
75.00876	78.2
98.20660	4.1
103.00380	98.1
169.04636	2.1
251.00937	1.6
282.23642	1.8
357.86865	1.8
441.19531	10.7
442.19498	2.1
459.20398	3.0
465.19446	4.3
469.22513	71.4
470.22647	8.0
474.19147	2.6
479.21017	6.3
481.19101	4.2
482.19781	12.3
483.20358	3.7
486.19183	27.7
487.19467	6.4
496.17838	5.8
497.22086	100.0
498.15387	12.9
498.22327	15.9
499.16040	5.4
499.23730	4.9
510.19275	12.4
511.19794	4.8
512.17072	32.9
513.17169	20.1
514.18677	25.1
515.18787	3.8
521.98260	1.9
525.21588	10.0
528.16840	6.1
529.21021	7.3
530.20789	3.8
531.21759	1.9
541.20990	22.9
542.21118	4.3
547.22137	2.9
557.20813	3.3
558.37793	1.9
559.21564	2.9
569.20374	33.8
570.20990	6.1
573.23438	23.8
574.22626	5.4
585.19983	65.8
586.20673	23.1
601.23077	80.6
602.23260	14.6
613.19397	20.3
618.19543	6.0
645.22101	88.5
646.22302	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28225	3.7
59.01363	10.0
61.98821	4.2
71.01370	18.7
71.50164	7.3
85.02950	3.9
89.02396	3.7
96.96017	20.1
99.92567	6.6
102.95919	3.9
115.00359	40.0
116.81774	3.8
116.92844	21.9
119.05015	15.4
121.02886	3.7
133.01427	100.0
163.03978	22.0
177.69585	4.5
191.05563	15.0
245.09299	5.4
258.57019	4.2
279.04910	4.1
279.10260	7.7
400.77850	5.1
449.76898	3.7
489.30444	5.2
529.13568	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	645.146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	4.6
59.01378	17.6
61.98830	1.4
69.03451	2.0
69.39158	1.2
69.39552	4.2
71.01378	11.8
72.99323	1.4
73.02947	3.6
75.00856	0.7
83.01415	0.8
85.02946	2.3
87.00896	0.9
89.02441	5.1
93.03442	0.8
95.01384	0.9
96.00913	0.6
96.96014	1.9
99.00889	0.9
99.04510	4.7
101.02450	4.8
113.02448	3.3
115.00368	9.4
117.03493	0.8
119.05023	100.0
120.01240	1.1
120.05338	3.5
122.06114	0.8
125.02422	2.3
130.04259	0.7
133.01436	7.2
133.02974	1.1
135.04518	1.9
145.02940	2.8
150.05489	0.6
151.00374	0.7
159.04471	6.5
161.04564	1.6
161.06070	1.9
163.04004	93.7
164.04387	2.6
165.01904	0.7
173.05943	0.7
175.04060	0.5
179.03505	1.1
179.05608	0.9
184.69954	0.6
185.00885	1.3
187.03973	1.3
193.91356	0.5
203.03485	10.7
205.05032	2.2
219.80612	0.6
269.04147	0.7
285.03983	9.1
286.04276	0.8
325.09271	2.9
365.08804	4.3
406.76483	0.7
459.22449	0.8
459.66782	0.7
529.13434	6.6
541.26837	2.7
559.27612	1.3
571.14655	0.9
583.26154	1.1
626.88312	0.6
645.18500	1.5
645.39728	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83393	1.5
59.01368	1.5
61.98813	5.1
75.30952	1.6
83.93930	1.4
98.19852	2.4
100.31104	1.4
160.15222	1.4
211.13333	3.6
212.13812	2.2
481.11551	4.1
482.16074	2.4
496.13782	6.7
497.18396	4.6
511.16205	52.1
512.16638	10.8
523.19788	9.8
525.17151	2.4
539.18164	2.3
557.20471	3.7
567.18481	10.7
568.18970	2.0
570.17535	16.4
571.18225	20.4
572.18469	3.8
599.21375	11.4
611.17651	4.0
643.20398	100.0
644.20697	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	643.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79094	8.7
71.40115	17.0
76.47520	9.2
80.80236	10.0
82.68730	9.4
152.20045	8.4
164.34167	9.4
175.90033	8.9
271.58423	10.7
460.22672	12.7
472.22659	39.5
473.23492	9.4
487.24997	98.7
488.25180	16.5
502.19943	14.1
531.23956	100.0
563.26147	26.1
575.23334	17.1
607.25586	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	643.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00650	0.3
73.02929	1.3
80.54640	0.4
98.19849	0.8
120.36768	0.4
178.03700	0.3
193.20554	0.4
213.02428	0.3
313.16928	0.3
438.09641	0.8
441.15543	0.8
452.10571	1.7
453.11893	1.1
455.17447	1.4
456.17859	0.6
459.16772	0.8
465.15646	1.3
466.16327	0.8
467.13519	1.5
468.14151	0.7
469.18961	0.5
473.18216	1.3
479.17050	1.1
480.18085	1.1
481.11127	1.8
481.19034	1.9
482.12015	1.0
488.16782	0.8
493.15381	1.3
495.17215	1.8
496.13312	6.9
497.14139	4.0
507.16980	2.4
508.17477	3.9
509.17395	0.6
510.15399	4.9
511.15924	10.5
512.16302	3.0
513.17535	2.1
514.18256	0.6
523.20044	4.4
524.20166	0.7
525.17206	0.5
528.17261	1.6
534.14972	0.5
538.14832	2.7
539.15405	1.4
540.16547	1.6
541.15851	0.4
542.14618	0.6
544.16620	4.5
545.19250	0.7
549.17969	0.7
553.17371	1.5
560.15521	0.6
567.18958	1.0
569.16510	0.5
569.66949	0.4
570.17468	1.7
571.18225	5.8
572.18799	1.2
583.18091	1.7
584.18396	1.0
599.21594	0.6
602.16168	0.8
613.37158	0.4
616.17932	0.9
626.21515	0.4
643.20435	100.0
644.20715	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	641.354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.4
61.98821	0.8
67.01880	0.3
69.03449	0.9
69.50787	1.2
69.51204	0.4
71.01381	1.5
73.01777	0.2
73.02940	0.5
76.41874	0.2
83.05006	0.4
85.02973	0.5
87.00850	0.3
89.02438	1.1
97.02941	3.9
97.06581	0.3
101.02459	1.1
111.08179	0.4
113.02419	0.7
119.03573	0.4
137.09721	1.5
151.07634	0.4
151.11148	0.2
161.04543	0.6
165.12785	0.3
167.14412	0.9
171.10251	1.2
183.13910	6.5
184.14156	0.4
193.08469	0.9
193.12311	1.4
207.10020	0.7
211.13377	100.0
212.11668	0.3
212.13712	5.1
233.11542	0.7
235.08195	1.4
253.09276	4.5
263.16647	0.2
273.18466	0.3
287.16266	0.6
291.19656	0.6
309.20670	5.8
310.21194	0.4
313.17841	0.5
331.15738	1.5
331.18646	1.7
375.17758	0.3
387.25198	0.3
405.26544	0.8
429.21393	0.8
447.22321	4.6
448.22852	0.3
474.36105	0.2
534.70935	0.3
571.30847	0.2
623.34314	0.9
641.25665	0.2
641.36066	0.9
642.35907	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33708	43.0
61.98822	100.0
71.81361	45.2
84.07395	45.0
156.87231	43.9
211.13422	88.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62451	0.2
53.27000	0.2
53.40731	0.2
53.78013	0.2
73.02943	0.9
100.28701	0.3
159.63234	0.2
219.30423	0.3
229.48528	0.3
438.09308	0.3
441.15308	0.3
451.47989	0.3
452.10803	2.0
453.11365	1.3
455.17355	0.7
456.17764	0.3
456.73212	0.3
459.16788	0.5
463.65704	0.3
465.15619	0.6
466.16589	0.5
467.12994	2.1
468.13672	0.6
469.18744	0.6
472.14023	0.3
473.18106	0.7
479.17581	0.9
480.17719	0.9
481.10605	1.4
481.18558	0.9
483.20758	0.4
488.16852	1.0
495.13000	1.4
495.17709	1.0
496.13403	5.8
497.13708	1.9
500.13181	0.3
507.16675	0.9
508.17435	2.3
509.15872	0.3
510.15356	8.2
511.16031	13.4
512.16034	2.4
513.17914	0.8
523.20081	2.0
528.16736	0.8
534.15851	0.3
538.14844	5.4
539.15540	1.2
540.16467	0.8
541.16388	0.3
542.14563	1.1
544.19031	3.5
545.18475	0.9
549.17950	0.6
552.16339	0.4
553.16736	0.4
555.15308	0.5
556.15460	0.4
567.18829	3.2
569.16943	0.5
570.17603	1.6
571.18274	2.4
572.19092	0.7
583.18427	4.1
584.18909	1.0
588.18188	0.3
599.21228	0.9
602.16681	0.5
611.17615	0.5
616.18030	0.6
643.20447	100.0
644.20734	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	641.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57034	0.4
59.01411	0.4
61.98815	0.4
66.21142	0.4
71.01382	0.5
71.50702	0.6
75.31481	0.3
91.01601	0.3
91.24054	0.3
102.04774	1.0
103.05540	4.2
109.21708	0.4
115.05587	0.6
125.02482	0.6
130.04254	20.1
131.05083	2.4
147.04543	0.4
149.06093	7.9
159.04524	97.6
160.04863	3.0
194.00377	0.4
203.03508	100.0
204.03856	3.9
211.13376	4.3
221.81673	0.4
429.74036	0.4
458.30069	0.4
582.24457	0.6
641.26263	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73137	0.2
54.41629	0.2
56.49538	0.2
59.01382	1.7
61.67506	0.2
61.98814	0.2
69.03456	0.2
70.40234	0.2
70.40571	0.6
71.01376	1.5
73.02934	0.4
83.05027	0.3
85.02955	0.4
87.00892	0.4
89.02438	1.0
95.01374	0.2
97.02953	0.2
101.02459	1.2
113.02422	0.7
119.03506	0.5
155.10814	0.2
161.04526	0.6
167.10793	0.4
167.14426	0.5
170.13893	0.2
179.05667	0.3
183.13893	6.3
184.14143	0.3
193.12379	1.4
206.36340	0.2
211.13380	100.0
212.13739	4.7
235.06004	0.2
235.08188	1.5
241.84016	0.2
253.09291	4.5
303.78793	0.2
387.25446	0.7
405.26428	0.5
405.96118	0.2
429.21222	0.5
447.22333	4.4
448.22824	0.4
565.24731	0.2
605.78857	0.2
623.34503	0.7
642.32892	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98818	10.2
70.50503	6.0
70.50870	10.9
71.58736	4.5
75.00877	47.5
103.00382	36.4
173.52428	5.5
194.01837	4.4
211.13354	22.5
420.20502	4.5
421.20389	7.1
435.21909	25.8
436.22269	8.6
445.19986	6.6
446.20981	8.8
447.21802	14.9
450.24619	6.3
451.25085	7.8
461.23846	25.5
462.19843	8.0
463.20905	24.4
474.20538	9.7
477.23212	5.5
478.23758	25.6
482.23630	5.7
489.22928	67.9
490.23718	7.6
491.20822	12.6
493.26068	17.0
505.22482	12.8
506.23178	15.0
521.25592	88.4
522.25488	14.9
533.21771	68.8
534.22327	9.4
538.22076	6.9
550.22241	73.0
551.22815	11.0
565.24335	43.2
566.24451	13.8
577.20721	13.0
581.24292	7.9
582.24719	100.0
583.25134	12.2
597.27100	15.8
598.26935	5.1
609.23712	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	639.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.9
59.01382	33.9
61.98815	1.2
69.03458	1.0
71.01386	12.7
71.50264	1.2
72.99298	1.0
73.02948	56.6
75.00878	6.5
83.01399	2.1
85.02962	6.0
87.00893	2.1
87.04482	0.9
89.02454	3.3
89.68384	0.8
94.02999	3.5
95.01369	1.0
96.04553	1.4
101.02439	8.2
109.02957	2.0
110.02492	2.8
113.02476	6.7
115.00377	1.0
119.03524	1.9
123.08164	0.9
124.07707	1.6
125.02469	1.1
128.20053	0.8
129.09221	1.1
130.08786	1.4
133.01373	1.3
135.04549	2.6
141.09224	1.8
153.02000	4.3
155.10803	0.9
161.04498	1.6
187.13409	1.0
201.01912	4.2
201.15044	1.4
219.11484	2.8
263.10406	6.1
317.23184	6.5
340.18753	1.2
360.56866	0.9
374.13443	4.6
391.27094	7.0
407.15866	0.8
435.12918	0.9
461.27484	12.5
479.28558	3.8
517.30188	2.2
535.31335	3.9
553.32312	1.2
577.32275	2.6
595.33337	100.0
596.33661	11.7
639.18665	1.1
639.35620	8.3
640.35175	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32203	1.2
55.01860	3.5
57.03426	5.2
59.01374	30.8
61.98806	1.2
65.03974	1.5
70.60867	2.6
70.61211	2.0
71.01377	24.9
72.77540	1.3
72.99307	2.6
73.02948	5.8
73.46273	1.2
81.03455	3.4
83.01393	3.8
83.05023	8.8
85.02928	6.3
85.06562	3.3
87.00859	9.1
89.02437	12.1
91.05499	2.1
95.01340	2.1
95.05004	1.8
97.02929	3.2
97.06579	3.6
99.00883	2.1
101.02436	16.8
106.60527	1.1
107.05038	2.3
109.06548	4.7
111.08171	8.2
113.02441	12.8
119.03493	4.4
119.05019	2.1
121.06624	2.0
123.08104	2.4
125.02408	2.1
125.09703	13.4
127.11250	1.7
133.05084	1.7
133.06512	1.5
133.10207	1.6
135.08133	1.9
137.09700	3.3
145.05029	4.6
147.04539	1.2
151.11227	1.4
159.04474	4.4
161.04532	6.0
171.10255	87.0
172.10587	3.3
177.39642	1.1
183.13863	1.3
185.11754	2.3
187.14873	2.8
199.03999	1.6
201.12804	2.7
205.15973	7.9
207.13654	1.3
209.11789	12.4
211.13371	17.5
215.14371	8.6
221.15419	5.5
231.13869	8.8
233.15428	39.4
234.15709	2.5
235.08177	13.6
235.13367	2.3
238.13443	1.4
239.16537	1.4
247.16924	2.1
249.14929	48.6
250.15198	3.1
251.16588	2.3
252.68153	1.2
253.09280	8.4
257.17459	1.4
260.15955	1.3
283.19199	1.8
306.48361	1.5
323.23657	2.1
331.26285	3.7
341.24811	7.1
347.12814	25.7
348.13184	2.2
357.24374	2.3
359.25797	4.0
367.22717	5.9
371.37305	1.3
375.25320	8.9
385.23795	35.5
386.24301	3.1
393.26855	1.9
395.28021	1.2
403.24844	65.4
404.25119	7.3
407.19156	1.8
421.25903	19.8
422.26453	2.7
445.12515	7.5
467.22668	1.7
477.15436	5.3
485.24078	4.3
611.34393	4.7
621.32715	100.0
622.33087	14.5
639.33759	74.3
640.34113	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	639.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83167	1.7
55.67921	2.0
59.01382	17.6
61.98837	2.9
62.04543	1.7
68.65215	1.8
69.03456	2.0
69.23190	15.9
71.01376	14.5
73.02945	2.8
75.00891	3.5
85.02947	5.7
87.00882	7.3
89.02453	6.9
98.19892	4.0
101.02446	9.8
109.02957	3.3
113.02426	3.5
115.00355	3.4
119.04990	1.8
129.01854	2.5
131.42828	2.3
133.01427	5.3
135.00865	2.4
135.04568	3.8
151.03967	3.8
153.01860	2.4
155.10767	5.5
161.04544	3.0
165.02022	2.2
165.12814	4.9
166.48410	1.8
179.03473	3.7
183.13869	6.8
191.05580	3.2
193.05058	2.7
195.06525	2.1
197.15540	2.5
199.09798	2.8
211.13379	100.0
212.13788	3.2
213.14972	23.5
221.15414	1.8
223.13272	3.0
235.13420	3.3
241.14426	57.8
242.14752	2.6
245.11906	2.2
251.12834	7.7
253.09251	24.7
253.14395	7.7
259.13306	6.2
263.12936	5.1
294.54816	2.2
326.67520	2.1
407.09818	3.0
447.22296	29.3
448.22766	3.0
475.08658	2.1
477.23370	53.9
478.23654	2.7
479.63474	2.0
487.22171	5.9
489.23309	7.6
499.21759	4.9
505.22937	6.6
513.23279	4.5
517.22766	4.8
535.31201	3.9
577.25146	4.3
639.31195	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	639.3146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88242	0.8
59.01373	1.9
62.06232	0.9
69.21108	1.8
69.21520	6.9
71.01353	1.8
72.00905	2.3
72.04542	1.1
73.04053	1.0
74.02465	11.1
81.00919	0.8
82.01711	1.2
83.02522	1.9
85.04079	1.2
86.02464	2.6
87.05647	2.2
93.03418	2.3
97.04044	2.9
98.20642	1.8
99.05644	10.4
100.00404	1.1
101.02409	1.0
104.03534	10.2
107.05027	2.1
113.03571	2.3
113.07224	1.5
115.00354	1.4
115.08790	6.4
116.05077	1.8
116.07174	1.7
118.06570	0.8
119.05020	18.6
125.03556	1.3
125.07200	11.1
132.05756	1.6
133.01411	1.5
134.03687	1.2
134.06079	1.6
135.04491	1.9
144.11424	6.7
145.02963	2.9
146.06093	2.6
154.09818	2.4
155.08240	0.9
156.11378	1.1
161.07133	1.0
162.05560	1.4
163.04030	2.1
165.06740	0.8
166.09863	1.3
168.07770	7.4
170.09346	16.9
172.06392	2.8
173.07103	1.0
176.07156	9.2
180.06616	2.6
182.09422	1.2
184.10886	12.7
187.05118	6.4
188.07182	9.1
189.06747	1.1
191.05519	0.9
196.10910	0.8
201.04266	3.8
201.13612	0.8
202.04968	0.9
206.08321	1.9
215.11845	3.3
215.15108	5.7
217.13435	2.6
227.15132	13.5
228.15155	1.8
229.13361	2.4
237.08746	3.3
241.12964	1.7
242.12978	1.2
243.11394	7.6
243.13786	1.0
243.14670	0.7
244.11731	0.9
245.16159	1.0
253.13037	2.8
257.12769	1.0
260.14017	6.3
273.12430	1.8
278.70001	0.8
282.19168	1.6
290.14929	1.6
321.19513	1.0
327.21686	1.1
333.19305	2.6
347.17191	1.1
353.20319	1.0
357.19272	1.9
359.17346	1.3
365.18225	1.5
428.27078	1.3
461.21585	1.2
462.68378	0.9
493.21262	1.1
534.30634	1.8
552.28131	16.8
553.28369	0.9
575.49817	1.0
577.31433	5.7
578.32367	1.1
609.30371	40.2
610.30725	6.5
621.30273	3.7
622.30603	1.5
634.82263	0.8
639.31433	100.0
640.31866	15.0
661.84680	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	639.2453
Annotation	Swietephragmin G
Peak:m/z	Relative Intensity
55.73913	4.2
56.17172	5.0
59.01371	10.8
61.00713	5.4
61.98833	8.7
64.44530	6.0
65.99838	4.5
71.01340	4.4
82.02983	5.8
83.01384	6.9
106.02991	7.0
106.06640	6.1
115.42617	4.7
134.06070	8.7
139.42494	4.9
178.01443	18.5
210.04066	10.6
213.10271	14.9
214.08669	4.8
221.11244	6.1
223.12431	7.4
225.13918	9.0
232.37431	5.2
234.37415	4.9
272.68896	4.7
274.00443	4.7
302.20877	5.1
434.22284	9.3
449.23596	8.1
451.24719	6.9
459.21289	7.7
460.20963	11.2
461.20416	6.1
474.22354	10.1
475.24710	18.9
476.23264	18.5
477.22882	28.4
486.20938	6.0
490.25027	16.7
501.23120	49.2
502.21115	31.3
503.20779	22.2
504.21051	7.6
517.22174	9.8
518.22766	6.0
519.16815	3.4
519.23828	100.0
520.24060	12.2
521.21289	8.9
533.25330	42.5
534.24194	17.1
545.21979	70.5
546.21948	9.4
563.22900	94.3
564.23077	14.3
577.24469	91.9
578.24231	16.3
595.25385	16.2
596.26160	5.5
621.23541	25.9
639.24329	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.3
59.01383	8.2
59.73994	0.8
61.98835	2.4
63.29319	0.8
69.35255	7.0
69.84560	0.8
71.01378	5.6
72.93967	0.8
73.02946	2.5
77.83448	0.7
85.02940	1.5
87.00880	1.5
89.02448	2.9
95.01398	1.1
96.38853	0.7
97.06591	0.8
101.02433	2.6
103.05541	3.3
113.02435	2.1
116.92916	1.0
125.09737	4.0
128.30070	0.8
130.04233	16.4
147.04477	0.9
149.06042	6.0
152.65857	0.9
158.30328	0.9
159.04507	100.0
160.04808	4.7
171.04372	1.8
171.10323	1.4
173.06123	1.9
174.06793	1.7
183.13896	1.3
185.06142	0.8
185.12129	0.9
187.09787	0.9
189.09244	6.1
198.03191	1.0
199.03961	2.5
203.01595	1.8
203.03490	35.7
204.03848	2.2
209.11804	3.0
211.03983	2.3
211.13361	7.6
213.14885	1.0
215.10815	1.3
215.14383	3.2
227.07112	1.4
227.88368	0.9
230.05768	2.2
231.06477	1.3
233.15468	14.6
234.15852	1.0
235.08044	0.9
237.98170	0.8
243.06606	2.9
249.14796	1.1
259.09702	1.4
263.36545	0.9
273.11227	3.7
311.23834	0.9
331.26419	1.2
332.06720	0.8
341.11697	1.1
347.12863	15.2
348.13190	1.1
359.12903	1.8
369.11554	1.2
375.25391	1.1
385.23831	7.8
401.13895	3.3
403.24817	5.8
421.25781	1.3
433.16522	31.6
434.16824	2.7
445.12848	8.3
477.15491	49.9
478.15997	4.5
621.32770	33.7
622.32910	3.1
639.21649	1.2
639.33014	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	639.193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27607	0.3
52.95640	0.3
59.01379	7.3
61.98827	4.1
66.28233	0.3
69.77870	0.9
69.78281	0.9
71.01387	3.0
72.67522	0.3
73.02948	1.7
75.00871	5.1
83.01382	0.5
85.02950	0.8
87.00871	0.7
89.02446	1.2
96.96006	0.7
98.20612	0.5
99.00893	0.7
99.04533	0.6
99.92546	0.4
100.18097	0.3
101.02434	1.7
113.02431	1.1
116.92846	0.9
119.03479	0.5
125.02415	0.4
130.04205	2.3
134.06088	0.3
135.04512	0.3
145.02983	0.4
146.03705	0.4
150.38976	0.4
150.56122	0.4
161.02422	0.4
161.04561	0.4
164.46382	0.3
173.02385	1.7
174.03214	19.7
175.03545	0.7
183.14056	0.3
206.02193	13.4
214.06396	0.9
228.07370	0.4
229.08678	100.0
230.08992	5.2
537.19604	1.6
564.92279	0.4
579.21527	0.5
579.33594	0.5
595.33252	1.2
597.34949	0.5
639.34070	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	639.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57927	0.6
56.63543	0.7
57.03440	1.8
57.11357	0.7
59.01383	17.6
59.84164	0.6
60.44843	0.7
61.98831	3.2
63.07506	0.6
69.03442	1.0
70.17956	2.2
71.01382	19.2
72.99297	4.2
73.02941	4.6
75.00870	6.3
81.03456	0.7
83.01422	0.8
83.05019	1.2
85.02957	2.9
85.27258	0.7
87.00887	1.0
87.04502	4.8
89.02434	4.6
96.96028	1.3
99.00904	0.6
99.04527	2.1
101.02457	4.3
102.05567	0.9
107.05035	0.9
109.02927	0.8
113.02464	2.8
113.35320	0.7
115.00375	31.3
116.00709	0.9
116.92854	1.5
117.03548	0.7
119.03506	1.3
119.05074	0.8
121.02886	0.7
125.02446	1.3
128.03563	1.4
132.18486	0.7
133.01431	42.6
133.02881	3.4
134.01810	0.9
134.03712	3.8
135.04526	100.0
136.04842	3.3
136.07719	0.8
137.06061	0.7
137.09720	2.8
151.11401	0.8
155.10776	19.0
156.11166	0.9
161.02423	7.7
161.04501	0.9
163.11235	0.8
169.12241	0.9
179.03499	11.2
179.10725	1.6
181.08670	1.4
181.12357	0.7
191.10794	1.7
195.10245	1.3
199.09764	14.9
229.08652	0.7
237.11285	1.0
241.10797	4.5
253.10776	1.6
255.12321	1.4
283.11923	9.8
289.60904	0.7
317.14059	1.4
343.13910	8.6
357.26331	1.4
373.25333	0.8
375.27512	14.5
391.26776	1.2
417.28491	1.5
451.16064	2.4
459.27655	2.3
479.19220	54.4
480.19641	4.8
493.17267	1.2
505.17017	7.4
523.17999	1.1
594.32098	0.8
595.33130	2.8
638.44843	1.8
639.34833	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	639.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	4.3
61.98818	0.8
63.57661	0.3
69.03461	0.4
71.01380	5.3
72.01706	0.4
72.99304	0.4
73.02953	1.5
75.00866	3.6
85.02953	0.8
87.00882	0.5
87.04503	0.4
88.98824	0.3
89.02446	0.9
96.96008	2.3
99.00896	0.2
99.04527	0.4
101.02439	1.0
105.55247	0.3
107.05019	0.9
107.84132	0.2
112.81613	0.3
113.02452	0.8
115.00366	4.9
123.08163	0.3
133.01436	5.3
134.03735	2.6
135.04520	78.1
136.04857	2.7
137.09616	0.3
139.07663	0.3
144.96561	0.3
155.10760	2.2
161.02412	0.5
177.01877	0.3
179.03490	100.0
180.03835	2.8
199.09747	3.8
229.28348	0.3
229.30812	0.3
241.10770	1.0
253.00929	0.3
253.10693	0.4
283.11786	2.2
308.45535	0.2
343.13986	5.3
373.25629	0.8
376.63394	0.3
390.25937	0.3
391.26974	4.0
479.19043	0.9
523.18231	11.9
524.18372	0.8
535.31335	0.3
553.31818	0.7
594.32178	0.5
595.33185	7.0
596.33618	0.4
638.36682	0.4
639.36206	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	639.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
69.14669	0.7
70.65115	0.8
71.01382	11.1
72.99300	1.7
78.11603	0.6
89.02451	1.2
95.13818	0.7
115.00368	27.0
133.01428	100.0
134.01801	2.2
134.03748	1.8
135.04520	21.3
136.04881	0.9
150.05270	0.7
179.03491	22.2
180.03757	1.0
295.04568	4.3
399.40823	0.8
420.05478	0.7
443.64081	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.6
66.15364	0.4
69.63105	2.0
69.63519	0.7
71.01379	10.9
72.99308	1.2
89.02445	1.1
104.75817	0.4
107.05041	0.4
115.00362	28.6
116.00735	0.6
128.62604	0.5
133.01422	100.0
134.01755	1.9
134.03723	2.0
135.04514	23.3
136.04860	1.1
154.80116	0.5
179.03484	24.7
180.03909	1.1
295.04614	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	639.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.3
59.01378	6.3
61.98804	0.9
67.52744	0.4
69.48550	1.8
69.48959	0.8
71.01376	10.1
72.99284	0.6
73.02930	1.1
75.00870	4.5
85.02953	1.2
87.00891	0.7
87.04520	1.3
89.02447	0.9
91.05515	0.5
98.19888	0.4
99.04550	0.4
101.02458	1.8
107.05019	1.5
109.02933	0.4
113.02447	1.1
115.00375	10.4
116.92899	0.5
125.02441	0.6
133.01421	1.3
133.02957	0.6
134.03705	4.0
135.04520	100.0
136.04846	2.7
137.09656	0.8
155.10777	4.8
161.02406	0.6
161.06168	0.6
163.11424	0.4
169.41122	0.4
175.03876	0.5
177.01743	0.6
179.03491	83.3
179.10733	1.0
180.03868	2.1
181.08688	0.9
195.10252	0.5
199.09741	6.8
241.10831	2.0
253.10692	0.6
283.11835	3.8
290.45303	0.5
316.27179	0.4
343.13959	7.3
366.36121	0.4
373.25839	0.6
375.27502	2.1
391.26904	1.4
416.63428	0.5
453.23956	0.5
523.18170	28.5
524.18439	2.6
594.32458	1.1
595.32898	2.1
639.18945	0.8
639.34540	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	637.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	24.4
61.98834	26.4
67.31828	3.7
71.01385	33.7
71.50420	4.2
71.50801	3.7
73.02949	5.4
80.96525	4.9
83.01389	7.8
85.02974	12.2
87.00885	55.3
89.02446	35.0
95.01388	4.4
101.02451	28.6
101.74545	3.6
111.01020	3.5
113.02471	41.3
113.90295	3.3
119.03514	10.9
143.03500	10.5
161.04558	16.0
165.21399	3.5
174.92395	3.5
179.05609	15.6
197.02274	5.1
243.51407	3.6
263.97665	3.8
277.21722	100.0
278.22351	3.6
291.23340	28.0
297.40213	3.8
319.22928	22.3
323.09830	55.2
324.10196	5.0
341.10883	98.1
342.10959	4.7
380.18134	4.0
475.24808	17.5
545.40594	4.3
577.27057	10.7
601.32306	38.2
637.29980	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72987	1.0
53.31670	1.0
55.01880	1.4
57.03463	1.6
59.01384	31.3
59.09607	1.1
69.37022	7.7
71.01390	12.2
73.02949	51.2
74.03286	1.1
75.00887	1.2
81.94436	0.9
83.01386	1.9
85.02959	3.1
86.78142	1.0
87.00893	1.7
87.04483	1.0
88.45429	0.9
89.02452	6.0
101.02429	7.6
104.84946	1.0
113.01756	1.1
113.02429	5.6
115.00354	1.0
119.03519	1.3
125.09707	1.6
139.07654	2.1
161.04521	1.6
171.10207	1.4
227.44225	1.1
237.87801	1.2
259.19110	2.6
303.31970	1.2
371.24533	1.5
389.25470	12.2
399.05035	1.3
421.24399	1.3
441.24921	2.5
459.26010	5.7
477.27026	2.0
533.29700	2.8
551.30481	2.7
575.30688	2.7
593.31769	100.0
594.32306	11.4
637.34369	1.7
637.49872	1.1
638.37329	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	637.2664
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
61.98830	1.6
62.22330	1.2
71.01340	1.2
80.96521	3.1
95.83107	1.2
98.20752	3.1
106.06628	1.4
113.84087	1.3
118.36590	1.3
162.65648	1.3
246.58974	1.4
403.13855	1.5
433.16409	9.6
434.17337	6.8
434.46756	1.5
447.18051	8.9
448.19037	14.1
449.19705	3.7
461.19647	2.0
462.20804	10.2
463.21280	5.8
493.19089	2.2
506.19598	2.8
507.20468	3.9
521.21973	19.9
522.22046	2.8
535.19910	2.8
536.20270	1.4
550.21893	1.7
551.23669	2.7
555.28235	2.5
576.39911	1.6
577.24493	2.1
593.24274	2.5
594.25378	1.9
599.99115	1.4
608.26379	17.9
609.27167	9.0
622.24646	4.5
637.26648	100.0
638.26825	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	637.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19870	1.5
59.01385	2.5
61.98819	2.7
71.01366	2.4
71.50371	2.0
71.50807	1.6
100.87084	1.5
105.30229	1.7
116.40681	1.7
160.88733	1.4
223.08794	2.9
225.75896	1.5
238.10997	2.4
400.29553	1.6
449.20044	2.3
461.12344	2.4
461.19214	2.0
487.17416	1.7
504.18106	2.1
505.18945	5.4
515.20868	3.2
543.20428	3.7
546.19543	1.6
561.21533	6.1
564.20154	2.1
577.21130	2.4
587.19135	4.4
619.22028	5.4
637.22937	100.0
638.23206	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	637.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	4.0
61.98816	8.1
69.72562	15.5
69.72977	8.3
71.01358	5.2
75.00867	5.1
79.95745	7.1
80.96514	42.7
94.98076	9.9
112.69994	3.5
116.92860	5.1
122.97518	4.0
148.99113	5.1
164.98582	5.5
225.00700	16.7
255.23650	3.6
299.04398	9.0
399.85797	3.8
403.19379	5.2
415.33038	3.8
431.18549	5.4
433.20169	14.1
445.15829	5.3
446.21005	18.9
447.21948	46.4
461.23477	49.4
462.23895	18.0
474.20532	24.5
475.21143	4.4
488.18500	24.2
489.23062	55.4
490.16281	11.2
490.23053	10.0
502.20178	4.9
504.17572	4.3
505.18802	12.3
506.23285	59.9
507.23340	10.3
517.22266	16.6
533.22089	9.4
549.25513	4.4
550.22113	8.7
555.28357	95.2
556.28693	7.9
561.21454	54.8
562.21698	8.1
565.24731	6.5
578.21674	100.0
579.21930	10.5
593.24036	8.9
637.24634	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	637.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12603	0.4
52.53040	0.5
59.01376	1.3
69.63107	2.8
69.63510	1.2
70.94781	0.6
71.01381	9.3
72.99297	1.1
89.02454	2.9
91.24487	0.5
98.04819	0.6
101.02425	0.6
101.99842	0.4
107.05008	0.6
115.00368	26.4
116.27399	0.6
133.01425	100.0
134.01759	2.1
134.03720	1.4
135.04517	25.2
136.04845	0.7
146.61661	0.5
162.25677	0.5
179.03496	26.2
180.03749	0.9
295.04688	5.0
295.10223	3.4
530.78015	0.5
585.01862	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68551	0.6
61.40833	0.7
70.81860	1.3
71.01379	10.5
72.99301	2.2
77.08278	0.6
78.56840	0.6
89.02432	1.4
90.11965	0.7
92.39619	0.6
96.43349	0.6
97.13995	0.6
115.00365	26.2
133.01424	100.0
134.01735	1.7
134.03777	1.6
135.04512	24.4
136.04839	0.7
143.62727	0.7
179.01889	1.4
179.03479	27.0
180.03793	0.6
180.75996	0.6
195.31714	0.7
295.04504	4.8
468.05789	0.7
485.18863	0.7
502.37039	0.7
558.91248	0.7
561.99725	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	6.8
59.01378	94.4
60.37851	3.0
61.98828	26.1
62.84677	3.4
69.03422	4.4
71.01383	28.6
71.51138	3.2
72.99300	9.9
73.02951	19.4
75.00874	4.2
75.58634	2.9
81.03458	3.9
83.04981	3.5
85.02945	12.0
89.02451	20.3
91.01878	16.1
93.03453	5.3
95.01366	3.2
95.69579	3.5
99.00913	5.8
101.02425	16.8
103.04003	4.7
107.01386	4.2
108.02161	21.6
109.02949	7.6
113.02425	8.6
115.03995	2.7
118.98045	3.6
119.03487	6.7
121.02859	4.9
121.06542	2.9
123.00896	7.0
133.01398	7.6
135.00905	14.8
135.04567	4.6
137.02393	4.6
151.11275	3.2
152.01135	19.8
159.04454	3.7
242.05722	5.2
243.06601	100.0
244.06801	5.9
245.01282	3.2
340.11160	3.6
359.87250	3.0
364.28937	2.9
387.10678	6.9
433.05478	3.4
447.13000	5.1
551.17535	9.0
593.18817	74.5
594.18695	6.7
637.31995	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.9
57.03448	58.0
59.01379	100.0
60.01705	0.9
61.98832	4.3
64.16426	0.7
68.89064	0.7
69.03436	1.6
69.66426	0.7
71.01385	12.5
71.50506	0.7
72.99316	1.5
73.02941	12.8
75.00861	1.8
77.64156	0.7
78.95895	0.8
79.86813	0.7
81.03448	4.4
83.01379	3.6
83.05048	1.0
85.02954	3.8
87.00883	1.2
89.02448	3.1
96.96012	2.6
97.02943	1.3
99.04520	80.8
100.04880	1.8
101.01801	1.4
101.02439	22.7
113.02435	6.4
119.03473	1.8
121.02934	5.4
123.04489	1.5
125.02448	47.8
127.61785	0.9
129.10384	0.9
131.03485	2.2
143.03531	4.0
149.04630	1.3
155.03476	1.5
161.02435	3.8
161.04440	3.8
203.05589	2.3
203.14499	0.9
206.88850	0.8
236.91283	0.7
247.13264	2.4
279.16089	1.1
364.16373	1.2
412.91284	0.9
417.68964	0.9
432.05121	1.2
433.26080	2.0
519.32019	1.1
577.31934	2.3
595.33099	1.1
607.30237	0.9
637.31689	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	637.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30529	0.5
69.47948	4.1
71.01376	9.3
72.99300	1.7
73.50848	0.6
89.02431	1.6
98.19827	0.6
115.00372	28.4
131.21739	0.6
133.01430	100.0
134.01740	1.2
134.03729	2.3
135.03496	1.2
135.04523	25.3
136.04770	0.5
177.01920	0.7
179.03500	24.1
180.03917	0.9
295.04739	3.2
311.72318	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
69.61169	2.7
71.01385	9.7
72.99309	1.5
75.06062	0.4
89.02456	1.4
98.20649	0.6
104.46462	0.4
107.05035	0.8
115.00382	28.5
123.04528	0.4
123.68958	0.5
132.33772	0.4
133.01439	100.0
134.01770	1.4
134.03711	1.8
135.04533	26.7
136.04860	0.9
156.46400	0.4
161.02405	0.6
163.03951	0.4
179.03511	24.0
180.03874	0.7
223.55217	0.4
283.92972	0.4
295.04581	3.2
301.83490	0.4
401.71985	0.4
462.80020	0.4
608.00629	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60918	0.8
59.01382	1.1
62.68115	0.7
69.53874	2.6
69.54272	2.5
71.01376	9.3
72.99308	1.7
83.02565	0.7
89.02461	1.4
98.19974	1.2
102.32358	0.8
115.00376	28.0
132.46924	0.7
133.01437	100.0
134.01778	1.4
134.03719	1.6
135.04532	22.9
179.03506	26.1
179.37927	0.8
214.30989	0.8
232.85490	0.8
295.04587	7.0
295.10233	1.4
428.84595	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05574	1.4
57.03442	4.9
59.01378	25.6
59.82453	1.4
67.01883	1.4
68.99802	1.3
69.03451	2.9
69.29176	7.8
69.29588	2.6
71.01008	2.1
71.01381	24.8
72.99297	5.9
73.02923	4.5
75.00870	17.1
83.01403	2.0
85.02946	17.7
87.00870	5.6
89.02463	9.2
95.01388	6.2
98.19855	2.5
99.00864	21.4
99.04517	4.0
101.02439	5.9
103.00363	1.6
103.26125	1.3
105.99942	1.5
108.13859	1.7
111.00883	3.1
113.02451	21.7
115.00354	4.7
117.01904	3.2
118.06612	2.8
119.03479	1.8
121.05336	2.7
122.06116	6.3
125.02469	1.9
129.01900	1.5
131.49706	1.4
133.01405	5.7
133.02940	3.2
135.04521	14.6
135.11789	10.2
146.06116	14.3
150.64792	1.4
157.01404	3.3
161.09686	6.2
175.02420	2.0
179.03519	18.0
179.10765	32.7
180.09317	1.5
180.11092	2.3
182.84465	1.3
192.11339	1.3
211.08601	3.0
213.10339	1.4
226.07425	7.9
226.12407	3.7
227.08218	3.9
227.11827	3.1
228.10387	1.8
231.05077	3.5
239.08229	8.7
240.09033	14.4
241.09767	14.8
249.06126	24.0
253.09671	3.8
254.10544	15.2
255.11360	43.0
256.11670	4.2
257.12891	3.7
267.07214	6.5
267.11200	8.3
269.12912	20.4
270.10208	1.7
270.13449	2.1
272.07977	5.3
284.11639	5.2
285.12405	15.2
286.09521	9.1
286.12674	2.0
313.11853	4.1
314.12833	1.8
316.10553	5.9
318.11951	1.7
330.12122	2.6
346.93063	1.6
348.13458	2.4
350.14966	4.1
352.16577	1.6
362.14978	5.7
364.16617	6.4
366.14572	10.5
376.16626	6.9
378.18118	3.9
380.16019	12.8
380.20193	2.0
381.16791	9.1
387.20337	2.7
394.17566	17.8
408.15491	4.7
409.20221	2.5
411.16464	6.1
420.15521	1.5
422.17181	4.7
429.17606	18.3
430.17807	1.8
438.16803	11.1
452.18262	7.9
453.18976	65.0
454.19681	13.6
455.15460	17.9
473.16583	100.0
474.16925	8.1
515.17542	4.2
531.25702	2.2
549.25568	5.2
575.25751	18.7
576.24951	1.5
587.24780	2.5
591.25891	3.7
599.25299	6.8
617.26154	98.0
618.26550	15.9
635.21667	26.5
635.27344	21.8
636.21313	2.6
636.28308	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	635.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.1
57.03453	2.1
59.01383	100.0
60.99291	1.9
64.55440	1.3
65.17023	1.2
69.03450	2.0
70.65712	3.7
71.01385	48.0
72.99310	4.0
73.02950	45.6
73.03363	1.9
75.00872	2.2
83.01392	10.4
85.02953	9.7
87.00892	2.7
88.98815	8.4
89.02451	27.6
95.01395	3.4
96.96020	3.9
99.04543	1.7
101.02448	48.6
108.02174	5.1
109.02936	2.6
113.02457	22.0
115.00380	21.6
119.03488	13.8
121.02920	2.2
123.00914	2.2
123.04536	3.9
125.02488	2.2
131.03499	6.4
133.01437	48.4
133.03003	3.9
134.01775	1.8
135.04539	15.7
138.03206	2.6
143.03523	7.8
149.02419	3.0
149.04585	6.7
152.01164	11.8
159.04504	3.0
161.04556	16.4
161.05746	2.1
163.04013	2.4
164.04745	3.6
166.99835	3.5
167.03499	34.3
169.45494	1.3
177.01938	4.6
179.03471	6.6
179.05629	11.2
182.02263	9.0
197.04518	13.7
203.05582	1.8
205.05150	1.5
221.06737	3.4
223.06078	5.7
231.92732	1.3
255.11276	2.2
269.08600	1.5
280.07355	1.8
281.04480	1.6
285.04105	1.6
295.09680	7.9
313.10822	1.7
359.11426	2.0
368.58127	1.2
369.19159	1.7
403.10349	4.8
453.19064	2.0
501.16077	1.8
519.14673	1.3
531.24548	3.4
549.25128	1.7
617.26013	4.5
635.26471	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	635.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05574	1.4
57.03442	4.9
59.01378	25.6
59.82453	1.4
67.01883	1.4
68.99802	1.3
69.03451	2.9
69.29176	7.8
69.29588	2.6
71.01008	2.1
71.01381	24.8
72.99297	5.9
73.02923	4.5
75.00870	17.1
83.01403	2.0
85.02946	17.7
87.00870	5.6
89.02463	9.2
95.01388	6.2
98.19855	2.5
99.00864	21.4
99.04517	4.0
101.02439	5.9
103.00363	1.6
103.26125	1.3
105.99942	1.5
108.13859	1.7
111.00883	3.1
113.02451	21.7
115.00354	4.7
117.01904	3.2
118.06612	2.8
119.03479	1.8
121.05336	2.7
122.06116	6.3
125.02469	1.9
129.01900	1.5
131.49706	1.4
133.01405	5.7
133.02940	3.2
135.04521	14.6
135.11789	10.2
146.06116	14.3
150.64792	1.4
157.01404	3.3
161.09686	6.2
175.02420	2.0
179.03519	18.0
179.10765	32.7
180.09317	1.5
180.11092	2.3
182.84465	1.3
192.11339	1.3
211.08601	3.0
213.10339	1.4
226.07425	7.9
226.12407	3.7
227.08218	3.9
227.11827	3.1
228.10387	1.8
231.05077	3.5
239.08229	8.7
240.09033	14.4
241.09767	14.8
249.06126	24.0
253.09671	3.8
254.10544	15.2
255.11360	43.0
256.11670	4.2
257.12891	3.7
267.07214	6.5
267.11200	8.3
269.12912	20.4
270.10208	1.7
270.13449	2.1
272.07977	5.3
284.11639	5.2
285.12405	15.2
286.09521	9.1
286.12674	2.0
313.11853	4.1
314.12833	1.8
316.10553	5.9
318.11951	1.7
330.12122	2.6
346.93063	1.6
348.13458	2.4
350.14966	4.1
352.16577	1.6
362.14978	5.7
364.16617	6.4
366.14572	10.5
376.16626	6.9
378.18118	3.9
380.16019	12.8
380.20193	2.0
381.16791	9.1
387.20337	2.7
394.17566	17.8
408.15491	4.7
409.20221	2.5
411.16464	6.1
420.15521	1.5
422.17181	4.7
429.17606	18.3
430.17807	1.8
438.16803	11.1
452.18262	7.9
453.18976	65.0
454.19681	13.6
455.15460	17.9
473.16583	100.0
474.16925	8.1
515.17542	4.2
531.25702	2.2
549.25568	5.2
575.25751	18.7
576.24951	1.5
587.24780	2.5
591.25891	3.7
599.25299	6.8
617.26154	98.0
618.26550	15.9
635.21667	26.5
635.27344	21.8
636.21313	2.6
636.28308	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	635.255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93883	1.1
57.03462	1.6
58.00597	1.3
59.01379	100.0
60.99289	2.3
67.45264	1.2
70.65424	1.6
70.65775	2.7
71.01380	54.8
72.30670	1.3
72.99297	5.3
73.02558	2.4
73.02949	42.0
75.00894	1.6
83.01389	10.5
85.02937	6.6
87.00867	3.4
88.98795	8.0
89.02448	23.6
95.01379	3.8
96.96004	2.5
97.02964	1.3
101.02442	43.3
108.02159	5.2
109.02950	1.6
113.02447	25.3
115.00375	24.2
116.00770	1.3
119.03496	15.0
121.02921	1.8
123.00907	2.8
123.04527	3.1
124.37206	1.1
125.02402	2.7
131.03535	6.9
133.01436	52.7
133.02979	3.9
134.01717	1.8
135.04518	14.7
135.45665	1.2
143.03491	5.8
147.04454	1.9
149.02438	2.8
149.04558	6.1
152.01152	11.4
155.03465	2.1
159.04497	2.5
161.04533	16.0
163.03836	1.5
166.99770	1.7
167.03500	28.2
168.03801	1.7
177.01874	3.2
179.03557	6.7
179.05605	9.9
182.02252	7.5
190.02641	1.7
195.06630	1.8
197.04581	10.7
203.05521	1.7
221.06551	3.5
223.06084	5.0
243.06572	1.3
257.04361	1.4
269.08112	1.3
295.09668	9.1
309.79599	1.3
327.08762	1.5
336.46045	1.3
339.08664	1.8
341.08466	1.5
359.11768	1.9
369.18979	2.8
403.10214	4.5
496.60739	1.3
519.15253	1.6
531.24280	3.4
549.25336	3.1
617.25958	4.6
635.15332	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	635.2511
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
55.80752	0.3
57.75967	0.3
60.31108	0.4
61.98777	0.4
73.14277	0.3
74.87725	0.3
154.53453	0.4
277.21765	0.5
292.34235	0.4
326.67166	0.4
365.30862	0.4
402.15558	0.4
415.15549	1.1
417.17056	0.6
419.18692	2.1
429.17233	0.7
430.14218	1.8
431.19666	3.6
432.19272	0.5
433.20255	1.5
444.15714	1.5
445.16031	3.2
446.21756	0.7
448.36810	0.4
458.17285	3.4
459.13797	1.0
459.18738	1.5
460.19177	0.5
473.15985	3.1
473.21677	1.9
474.16748	7.4
475.17761	3.4
486.20587	0.8
487.17758	2.8
488.18497	7.2
489.19287	4.5
490.20227	5.5
491.19727	0.9
501.19266	2.4
502.20053	0.6
504.22064	0.5
505.22476	4.4
506.22668	0.5
515.17102	0.5
516.18268	2.1
516.25171	0.4
526.19861	0.5
529.18689	1.1
548.20483	0.6
549.21112	1.9
559.23376	1.1
560.20740	1.5
561.21118	0.6
575.13910	0.8
575.23010	14.4
576.23682	9.2
577.24243	0.8
603.22717	2.0
604.22949	0.5
635.25104	100.0
636.25403	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	635.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84629	0.9
56.31013	1.0
58.91397	1.0
59.33617	1.0
68.71212	1.0
70.82489	2.3
71.01380	9.1
72.99300	1.6
78.00429	1.0
86.12641	0.9
88.23412	1.0
89.02477	1.3
89.03989	1.6
93.75528	0.9
105.03441	2.2
107.03418	1.0
115.00371	27.9
117.37977	1.2
118.95234	1.0
133.01430	100.0
133.02867	6.6
134.01843	1.2
134.03688	1.9
135.04523	23.6
176.01060	1.4
177.01927	84.2
178.02284	3.8
179.03491	23.2
187.02209	1.0
191.93599	1.2
191.95447	1.0
295.04562	2.5
339.07187	36.2
340.07532	2.0
661.10754	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.7
61.98822	0.9
66.72277	0.4
69.74328	1.8
71.01370	1.7
73.02940	0.8
75.00874	0.6
76.02283	0.4
93.43831	0.3
96.64465	0.3
97.79385	0.3
99.95847	0.3
101.02429	0.6
108.80318	0.5
113.02436	0.7
117.03451	3.7
135.04524	0.4
135.66971	0.4
145.02969	2.3
147.04475	0.6
163.03989	1.3
173.02443	3.0
191.03606	0.5
201.01920	100.0
202.02251	4.8
364.17255	0.4
386.54358	0.4
467.85388	0.4
635.30933	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06040	0.7
52.96876	0.8
54.98822	0.7
61.98817	1.1
67.05302	0.7
70.50897	2.0
96.51690	0.7
107.93906	0.8
148.97836	0.8
220.82492	0.9
416.13113	0.9
419.18634	1.5
430.13879	1.7
431.19479	4.2
445.15851	3.8
458.17401	3.5
459.14142	1.3
472.19333	0.9
473.16263	4.8
474.16882	7.4
475.17566	3.1
487.17703	3.6
488.18463	8.6
489.19107	5.4
490.20117	7.8
499.45282	0.9
501.19202	3.2
505.22278	3.4
516.17993	2.6
529.18805	2.2
548.20612	2.6
549.20935	1.2
560.20422	1.4
561.21619	1.5
575.22949	17.1
576.23590	8.7
603.22675	4.1
635.25079	100.0
636.25378	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	635.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66344	1.6
57.03448	2.4
59.01364	8.6
66.29887	1.8
71.01377	25.2
72.99277	2.2
77.03936	2.0
85.02899	2.3
87.00873	2.1
89.02420	4.3
95.05004	3.5
96.96034	3.6
99.04455	2.2
105.03444	6.8
109.02924	3.6
115.00369	38.3
116.00688	2.7
121.02944	4.6
123.00864	5.3
133.01404	100.0
133.02930	60.0
134.01735	4.0
135.01909	2.9
135.04517	34.0
136.04814	3.1
137.02507	2.7
149.02440	17.5
159.04460	2.2
163.03957	2.5
164.04758	12.7
166.99799	4.6
177.00511	3.3
177.01921	39.0
178.02295	2.5
179.03491	27.7
180.03780	3.5
180.05927	2.0
182.02159	15.5
197.04535	27.8
208.03665	3.3
223.06075	35.2
224.06442	3.8
253.05023	2.0
295.04456	3.1
295.09503	2.9
311.05109	2.0
313.07108	2.7
359.11508	2.5
403.10214	3.3
461.58432	2.4
519.92700	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	633.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	3.3
58.00579	2.2
59.01379	100.0
59.66556	1.3
60.01689	1.9
63.16016	1.4
69.03453	25.3
71.01382	41.1
71.50004	2.2
72.00895	1.7
72.99300	4.4
73.02943	55.5
75.00871	5.4
81.03473	1.4
83.01384	16.6
85.02948	10.2
87.00893	3.2
89.02445	9.9
95.01374	4.3
96.96004	3.3
97.02954	5.8
98.15835	1.5
98.95607	1.7
99.00896	8.1
99.01467	1.3
99.04496	3.4
101.02444	55.5
108.62857	1.5
113.02454	22.9
115.00375	5.0
116.92876	1.5
119.03523	8.4
125.02436	4.3
131.03491	5.3
133.01425	5.4
135.04535	1.8
140.42554	1.4
143.03461	5.6
149.04526	12.1
153.09192	9.6
155.10722	2.2
161.04544	17.5
173.06107	1.8
175.02322	1.5
177.02228	1.5
178.02777	1.5
185.00867	10.9
188.88911	1.4
192.02715	5.3
199.09761	3.9
203.05666	3.6
203.14360	4.4
213.12906	2.4
221.06755	7.5
231.14073	1.9
233.15422	8.4
245.15445	15.9
249.06184	5.6
283.92410	1.5
287.16519	8.8
357.09610	2.0
358.40787	1.7
380.96808	1.6
386.01840	1.7
395.95746	4.4
403.15808	4.0
447.15051	62.0
448.15509	5.1
509.23862	4.5
589.25153	2.2
633.16333	2.7
633.25800	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3793
Annotation	Guavacoumaric acid
Peak:m/z	Relative Intensity
59.01365	0.3
59.96955	0.3
61.98838	0.4
69.77277	1.0
69.77689	0.6
78.95906	0.7
79.32533	0.2
87.99613	0.3
115.92104	0.3
116.92844	1.4
117.03465	24.2
118.03802	0.7
119.05029	3.6
145.02957	100.0
146.03302	2.9
163.04018	3.2
193.90765	0.4
196.89581	0.4
197.39313	0.3
267.66650	0.3
291.42163	0.3
316.19043	0.3
427.50983	0.3
441.51898	0.3
455.31567	0.6
467.31558	0.5
469.33115	0.7
504.70197	0.3
513.32117	0.4
633.37903	72.6
634.38275	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	633.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70155	0.7
52.91650	0.8
61.98824	2.2
69.25294	0.8
71.49847	1.0
74.91901	0.7
78.95905	2.0
96.53613	0.8
114.05626	1.4
114.93414	1.1
115.74759	0.7
116.92864	2.4
117.02658	1.6
117.03458	26.5
119.05036	8.2
145.02951	82.0
146.03267	2.2
148.43356	0.9
163.04033	6.7
179.89253	0.8
193.90811	0.8
589.38666	2.4
615.37103	1.6
633.37903	100.0
634.38367	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	633.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	3.3
58.00579	2.2
59.01379	100.0
59.66556	1.3
60.01689	1.9
63.16016	1.4
69.03453	25.3
71.01382	41.1
71.50004	2.2
72.00895	1.7
72.99300	4.4
73.02943	55.5
75.00871	5.4
81.03473	1.4
83.01384	16.6
85.02948	10.2
87.00893	3.2
89.02445	9.9
95.01374	4.3
96.96004	3.3
97.02954	5.8
98.15835	1.5
98.95607	1.7
99.00896	8.1
99.01467	1.3
99.04496	3.4
101.02444	55.5
108.62857	1.5
113.02454	22.9
115.00375	5.0
116.92876	1.5
119.03523	8.4
125.02436	4.3
131.03491	5.3
133.01425	5.4
135.04535	1.8
140.42554	1.4
143.03461	5.6
149.04526	12.1
153.09192	9.6
155.10722	2.2
161.04544	17.5
173.06107	1.8
175.02322	1.5
177.02228	1.5
178.02777	1.5
185.00867	10.9
188.88911	1.4
192.02715	5.3
199.09761	3.9
203.05666	3.6
203.14360	4.4
213.12906	2.4
221.06755	7.5
231.14073	1.9
233.15422	8.4
245.15445	15.9
249.06184	5.6
283.92410	1.5
287.16519	8.8
357.09610	2.0
358.40787	1.7
380.96808	1.6
386.01840	1.7
395.95746	4.4
403.15808	4.0
447.15051	62.0
448.15509	5.1
509.23862	4.5
589.25153	2.2
633.16333	2.7
633.25800	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	631.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.6
61.98829	4.2
69.13541	9.2
69.13950	3.1
71.01365	1.8
73.02949	8.0
73.52349	1.2
75.00875	6.6
96.98014	1.2
99.00886	5.8
99.92576	11.4
111.82522	1.3
115.00375	5.4
115.04057	1.9
116.03590	1.6
116.07153	6.2
116.92862	100.0
116.97247	2.4
117.01923	15.7
117.05560	3.6
117.92883	3.3
150.80228	1.4
152.14740	1.1
238.42517	1.1
277.21732	5.6
368.63394	1.2
418.05469	1.4
510.72397	1.5
631.22949	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	631.4937
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98815	4.7
65.53873	2.9
71.50076	3.9
71.50452	3.1
82.64533	2.5
165.66277	2.6
276.43436	2.9
277.21680	100.0
278.22037	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	633.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04892	0.7
64.82063	0.5
71.01381	10.4
71.16421	0.8
71.16763	0.8
71.99459	0.6
72.99309	2.4
87.00902	1.2
89.02453	1.7
93.03493	0.7
115.00375	31.5
133.01430	100.0
134.01778	1.2
134.03717	1.1
135.04521	18.7
136.20787	0.6
167.03998	0.5
177.01970	1.7
179.03503	21.6
191.05684	1.0
289.07248	0.7
295.04611	6.9
383.07877	0.7
411.26453	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30546	0.8
62.10472	0.8
62.95500	0.9
64.00385	0.8
68.12812	0.9
70.84155	1.5
71.01382	15.3
72.99310	1.1
85.02943	3.4
93.03484	1.7
115.00361	15.5
119.05026	49.6
120.05349	1.6
126.28255	0.7
133.01428	38.7
133.02919	1.5
135.04520	1.1
161.02304	0.9
163.04004	100.0
164.04346	3.3
175.56163	0.9
191.05612	39.9
192.05913	0.9
208.60143	0.9
234.56537	0.8
279.04984	7.2
279.09885	1.0
353.08627	5.2
450.08298	0.8
499.28699	0.9
597.54236	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47774	1.0
59.01366	2.1
67.01878	1.4
71.01380	21.7
72.99315	1.7
85.02977	3.6
85.65226	1.0
89.02455	2.6
93.03465	6.9
99.04497	1.7
109.02975	1.4
111.04472	1.8
115.00374	32.2
119.05030	39.5
123.04510	1.2
133.01430	100.0
133.03030	4.3
134.03748	7.3
135.04526	33.1
155.03549	1.2
163.04010	82.0
164.04294	2.5
173.04544	27.2
177.01871	3.4
179.03491	33.8
191.05608	24.3
193.05046	10.2
279.05069	6.1
295.04568	3.0
353.08743	20.0
556.38855	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	633.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.4
65.73762	1.2
69.17584	11.5
71.01373	12.0
73.80336	1.2
89.02379	1.3
96.95988	1.6
98.45255	1.3
115.00377	29.0
133.01433	100.0
133.03012	3.5
134.01776	2.1
134.03751	2.4
135.04533	22.4
177.01947	2.9
179.03488	24.6
249.57468	1.1
274.43018	1.0
295.04520	2.8
314.23746	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	629.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.8
57.03448	60.7
59.01379	100.0
60.01697	1.3
61.98835	4.0
67.69028	0.8
68.99569	3.2
69.32542	6.7
71.01382	9.9
72.99285	0.9
73.02948	1.6
81.03455	2.1
83.01373	1.9
85.02939	2.8
85.64069	0.8
89.02436	5.0
95.72099	0.8
96.96066	0.8
98.20680	1.7
99.04517	83.3
100.04850	1.2
101.02437	15.2
112.98576	3.9
113.02455	4.2
119.03471	1.7
119.80456	0.8
122.01231	0.7
122.50558	0.9
125.02444	40.8
139.12363	0.9
143.03473	1.8
161.04520	2.3
174.94576	0.8
211.13266	1.0
441.24811	2.9
467.30057	1.5
591.22784	0.8
615.26483	1.0
629.24414	1.4
629.35364	9.9
630.35931	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	631.166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06587	0.6
55.98419	0.6
59.55907	0.7
65.03961	1.3
71.01385	4.0
71.49450	1.0
77.03970	1.0
80.27754	0.8
82.59100	0.6
83.47952	0.6
87.97728	0.6
90.45669	0.7
91.05537	9.5
93.03455	2.8
95.05015	1.8
97.02943	1.0
105.03461	7.9
109.02943	3.1
115.00366	4.9
121.02911	0.9
123.04516	3.0
125.02458	2.4
132.02116	0.8
133.01468	9.1
133.02951	46.8
134.03299	1.6
135.04521	100.0
136.04877	2.8
137.02454	2.3
139.04027	0.9
149.02422	1.3
151.03976	1.7
155.00119	0.8
159.04581	0.8
161.02353	1.0
161.06172	1.0
163.04060	0.9
177.01918	39.4
178.02226	1.6
179.03481	13.7
179.04944	0.9
180.04076	0.8
187.04053	0.9
194.17484	0.8
203.07123	2.2
205.05148	0.8
245.08255	2.2
289.07153	15.2
289.10272	1.0
297.09796	5.9
323.41031	0.7
341.08676	3.3
406.62457	0.7
529.83002	0.6
543.26538	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.223
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	83.5
59.01377	89.4
60.01698	1.3
61.98820	2.2
69.03463	1.3
69.10456	0.8
69.49630	3.0
69.50057	3.2
71.01378	6.2
73.02934	2.7
75.00854	1.2
81.03444	3.5
83.01363	1.8
83.56927	1.1
85.02961	1.9
89.02467	1.9
96.95998	3.6
98.19866	1.2
99.00903	1.0
99.04518	100.0
100.04853	2.2
101.01796	1.4
101.02432	17.4
103.33886	0.8
110.46658	0.8
111.00850	1.5
113.02448	2.9
119.03481	1.0
125.01531	1.8
125.02447	32.8
134.06087	0.9
143.03488	3.1
146.16521	1.0
161.04530	2.0
179.05670	0.9
190.35732	1.0
197.23596	1.0
278.59457	1.0
347.89178	1.0
401.18570	1.0
443.19226	2.1
474.16541	1.6
487.25577	1.5
587.22791	0.9
613.23053	1.9
631.23792	1.7
631.33704	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	629.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57011	1.1
57.03447	68.0
58.03766	1.5
59.01379	100.0
61.98828	7.3
65.08573	1.1
67.30737	1.1
67.32201	1.1
69.15791	11.7
71.01392	7.2
71.63369	1.0
73.02965	2.6
81.03455	3.0
83.01392	2.4
85.02956	5.1
89.02414	2.6
96.95998	2.7
99.00883	1.7
99.04517	81.6
101.02435	16.4
113.02467	4.3
120.25494	1.1
125.02444	35.4
143.03534	2.1
161.04596	3.3
187.04013	1.3
215.44975	1.1
306.32080	1.3
333.20285	1.8
335.22040	1.5
381.26126	1.7
399.23682	1.3
404.31436	1.1
441.24850	2.7
503.32159	3.0
525.30426	5.9
585.23236	2.1
629.22400	5.8
629.38428	3.6
630.22540	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	629.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82314	0.7
57.03447	77.1
57.77142	0.7
58.03807	0.9
59.01378	100.0
61.98823	2.5
70.21717	1.5
70.22111	1.5
71.01373	6.2
73.02943	2.0
81.03465	3.7
82.55133	0.8
83.01376	1.6
85.02952	2.9
89.02432	1.3
95.01382	1.0
96.95999	1.4
99.00869	1.5
99.04516	97.2
100.04842	1.7
101.02439	16.3
106.06660	1.3
107.43054	0.8
113.02422	2.3
115.43089	0.8
125.02442	41.8
126.02768	1.2
134.06087	1.0
143.03473	3.0
145.64682	0.8
159.04466	1.4
161.04520	1.8
182.37164	0.9
300.68350	0.8
385.24200	0.7
399.23492	0.8
419.34796	0.7
423.31927	0.8
434.17017	0.9
441.24661	2.2
517.25629	0.8
569.36420	2.9
570.36426	1.0
585.25629	1.6
587.38257	1.9
629.38708	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	629.2254
Annotation	CHEBI:81547
Peak:m/z	Relative Intensity
54.80629	0.7
61.95434	0.7
61.98820	1.6
73.02937	2.4
178.15193	0.8
214.94810	0.8
259.16702	0.8
441.19391	1.1
481.19458	1.3
482.15768	1.9
494.19711	1.4
496.17526	4.2
497.18115	11.8
498.18420	1.8
509.22122	1.3
523.47827	0.8
524.16681	6.5
525.17499	2.0
528.16541	5.7
530.21301	2.8
553.21179	4.5
569.20435	4.7
570.20807	1.7
585.23615	1.1
608.89301	1.0
618.73798	0.8
629.22528	100.0
630.22864	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2251
Annotation	CHEBI:81547
Peak:m/z	Relative Intensity
50.73323	0.9
61.76341	0.8
61.98820	1.3
64.07540	0.8
70.72886	2.3
71.01332	0.8
73.02938	2.4
74.50665	0.9
97.40228	0.8
172.28307	0.9
178.57057	0.9
185.89511	0.8
204.34163	0.8
235.37071	0.9
328.98331	1.1
441.19119	1.2
463.78375	1.0
467.20935	1.3
481.19229	1.2
483.16321	1.3
493.18707	1.6
494.19412	2.0
496.17554	2.1
497.17865	9.7
498.18912	2.8
499.19977	1.1
509.22098	3.4
514.18359	1.2
520.16620	1.2
524.17059	2.7
526.18494	2.3
528.16510	3.1
530.17548	2.3
538.18970	1.5
553.20850	2.4
557.20215	2.1
569.20306	2.6
571.28784	1.1
588.18536	0.9
602.21533	1.2
629.22510	100.0
630.22821	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	627.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73394	1.0
56.62352	0.9
57.03448	63.0
59.01379	100.0
61.63784	0.7
61.98827	1.9
63.65752	0.7
69.71956	2.7
69.72364	2.3
71.01381	5.0
73.02946	1.4
75.00867	1.2
81.03457	2.7
85.02953	1.7
87.32516	0.8
99.04519	88.5
100.04835	1.0
101.02440	12.2
113.02442	3.0
125.02447	45.7
143.03499	3.0
157.60376	0.9
161.04530	2.3
185.86421	0.8
205.80067	0.9
340.20374	1.0
359.42545	0.9
390.83035	0.9
397.22440	0.9
439.23236	3.4
523.28540	1.0
627.21643	1.0
627.37091	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	627.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	74.0
59.01379	100.0
61.81638	0.8
61.98816	1.7
70.34636	0.9
70.51943	1.8
71.01373	3.9
73.02968	1.5
81.03449	3.6
83.92183	0.8
85.02932	1.6
89.02458	1.0
93.03499	0.9
99.04520	91.3
100.04868	1.9
101.02441	13.7
113.02464	1.7
115.31201	0.8
120.64095	0.7
122.85071	0.9
125.02449	49.3
143.03525	2.6
161.04663	1.3
256.22995	0.9
397.22403	1.5
439.23352	4.0
583.27057	1.0
627.21143	1.0
627.37677	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	627.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55470	0.6
63.23807	0.6
69.25839	1.2
69.26245	5.0
90.89524	0.6
100.61661	0.6
102.04701	1.0
103.05537	5.6
130.04237	23.5
131.05031	2.0
133.03665	0.7
149.06078	9.5
159.04510	100.0
160.04869	3.6
199.42899	0.7
203.03500	91.3
204.03783	3.3
211.26884	0.6
309.52036	0.8
326.97351	0.6
495.65656	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3727
Annotation	2,2'-dihydroxyastaxanthin
Peak:m/z	Relative Intensity
59.01369	4.0
60.45517	1.1
66.03486	1.1
67.34359	1.0
70.02969	3.4
71.01394	2.0
71.27086	1.8
74.02476	48.7
75.00877	2.4
82.03005	1.1
82.06611	3.0
82.37015	1.1
93.24692	1.0
96.00919	17.0
98.02495	9.4
108.03286	2.1
109.01694	3.8
110.02481	9.4
111.00898	16.4
112.02785	2.2
112.07688	5.5
113.56232	1.1
115.08783	4.3
124.07687	2.9
125.03555	1.8
126.09271	2.0
129.10352	38.8
130.08765	4.2
139.08768	3.0
140.07198	2.4
143.11906	14.6
151.08778	17.7
152.07185	14.3
153.06709	5.4
153.10345	1.2
155.08232	1.2
159.04533	2.0
165.10352	1.5
166.08698	6.3
169.09819	9.9
169.32298	1.1
174.01649	1.4
177.06735	3.3
179.08234	3.7
183.15012	1.6
187.10881	10.3
195.07773	25.1
197.09409	1.3
207.15028	3.6
209.09280	2.3
221.16573	2.7
225.16083	2.4
226.11948	8.1
242.18752	4.2
256.20383	7.1
261.16196	1.8
263.21301	1.4
264.17340	1.2
281.19852	1.5
282.18439	1.8
300.19205	2.2
322.51303	1.3
325.18839	2.8
391.27094	1.8
399.26047	3.2
435.26010	8.6
439.25449	1.2
453.27191	1.5
479.25137	100.0
480.25644	7.0
497.26077	6.8
609.36169	76.1
610.36377	10.8
627.37213	63.6
628.37915	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	627.2102
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
60.08559	0.3
73.02953	1.1
87.19865	0.3
109.80894	0.3
126.31340	0.3
152.58449	0.3
437.12567	1.1
438.13318	1.6
450.13010	0.5
451.13858	1.7
452.14941	3.8
453.15347	0.3
465.15967	0.9
466.16751	0.4
469.11551	0.7
470.12054	0.4
479.17267	0.9
480.14133	1.0
481.14987	10.7
482.15604	1.3
483.20361	0.3
484.13947	0.4
488.14105	0.4
493.15048	1.3
494.16022	1.2
495.16779	18.2
496.17218	2.8
507.17053	1.2
508.18329	2.3
509.18796	1.6
512.13397	1.2
518.15979	0.3
521.14825	0.9
522.15759	0.4
523.19281	1.3
526.14856	1.1
533.18475	0.9
535.16425	2.1
536.17114	3.0
537.17072	0.7
539.15820	1.1
540.16919	4.4
541.16614	0.4
551.19409	45.6
552.19647	8.0
553.17206	0.6
554.18646	1.6
555.18768	1.6
567.19110	0.5
568.16229	0.9
572.15747	3.2
583.21838	0.5
586.17053	1.9
587.17584	0.9
595.18280	10.2
596.18463	1.8
627.20990	100.0
628.21210	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	627.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36512	1.1
53.77934	1.0
54.61100	0.9
59.58261	1.0
70.66299	2.9
79.49174	1.0
97.83498	1.0
108.02166	57.1
109.02991	9.2
130.09149	1.2
134.83450	1.0
151.03964	1.2
152.01146	47.1
153.01933	26.8
285.06143	100.0
286.06390	4.7
462.78995	1.0
482.39578	1.0
506.61865	1.3
628.41095	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2097
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
55.61275	0.5
59.01350	0.7
61.98830	1.4
70.68995	1.6
73.02950	1.2
73.21020	0.6
92.63086	0.5
103.00215	0.5
109.02884	0.6
129.04440	0.5
129.28239	0.6
158.39116	0.5
171.22787	0.5
185.44406	0.5
187.64894	0.6
234.48849	0.6
271.39349	0.6
345.43359	0.6
437.12512	1.0
438.13013	1.7
451.14120	1.4
452.15012	2.9
469.11478	0.8
481.15186	8.5
482.15405	0.6
484.14072	0.8
493.15048	1.8
495.16809	13.9
496.16907	2.4
507.16537	1.0
508.18112	1.4
509.18314	1.1
512.13544	1.7
522.15143	0.8
523.20624	0.8
526.14783	1.0
535.16089	1.4
536.16718	2.1
539.15778	0.7
540.16559	3.9
550.70654	0.7
551.19385	35.7
552.19635	5.8
553.17438	0.7
554.18121	1.1
555.18939	1.0
567.18127	0.8
568.16058	1.1
572.15717	2.6
586.17291	1.7
595.18268	6.5
596.18317	1.4
627.20972	100.0
628.21295	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	627.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79969	0.5
58.05794	0.5
59.01375	4.0
61.71128	0.5
61.98845	0.7
69.35333	2.2
69.35764	2.2
71.01376	2.1
75.00870	1.8
85.02950	1.0
88.98835	0.7
89.02451	1.2
95.01410	0.5
96.96014	0.7
96.99310	1.3
99.00884	0.7
101.02443	1.3
102.04777	0.8
103.05537	2.5
113.02431	1.0
126.91203	0.6
130.04250	11.8
131.05061	1.3
133.01431	0.8
133.02974	3.2
144.00368	0.7
149.06108	6.3
151.56985	0.6
155.05032	2.4
157.02943	1.9
159.04518	98.7
160.04868	4.2
161.02402	0.6
171.04509	4.0
173.02362	1.1
173.06068	4.1
178.37094	0.6
179.03409	0.6
181.04921	0.5
184.05360	0.7
185.02440	1.7
187.07634	0.9
191.07208	0.8
194.39917	0.6
197.06061	0.9
198.06888	0.6
199.04013	11.6
199.07632	18.4
200.07996	0.8
203.03506	17.2
204.03856	0.7
209.08289	1.3
211.03969	0.9
211.07672	5.0
213.09210	1.0
217.08708	4.0
227.07184	1.0
229.08702	2.7
231.06453	0.6
239.07149	1.9
251.06946	0.6
257.08206	7.9
258.08475	0.7
261.07645	1.4
292.66080	0.5
313.08652	1.8
331.09753	15.1
332.10092	1.0
339.09869	1.2
341.11853	2.6
349.10782	18.5
350.11246	1.3
357.11276	1.8
359.12872	2.5
370.08505	1.2
377.14038	1.5
385.10797	6.9
386.11127	0.6
403.11847	8.3
404.12546	0.8
421.13013	2.1
447.10852	100.0
448.11157	9.8
457.85443	0.5
522.34174	0.8
523.33899	1.2
609.16138	43.9
610.16272	6.0
627.17084	8.0
627.32959	3.0
628.17078	1.1
650.90753	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
65.23384	0.5
68.18094	0.5
69.65593	1.9
69.66003	1.1
72.41960	0.5
72.42427	0.5
72.55991	0.5
91.67534	0.6
108.02177	53.3
109.02371	0.7
109.02978	10.8
120.16196	0.6
123.04549	0.8
133.01428	0.8
133.02953	1.7
135.04504	0.9
143.65523	0.5
151.03987	1.6
152.01157	50.1
153.01947	23.3
154.02284	0.8
160.43936	0.6
163.03947	0.9
165.01984	0.8
252.52115	0.6
285.06161	100.0
286.06506	4.6
382.43848	0.6
432.66269	0.6
474.21158	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30313	2.0
55.01886	1.9
57.03437	4.3
59.01378	70.4
61.98829	13.4
64.27137	1.9
69.03429	2.5
71.01378	26.1
72.99312	2.4
73.02940	10.3
75.00871	8.4
79.65522	1.9
83.01389	5.1
85.02936	9.8
87.00868	2.0
88.98795	4.4
89.02451	16.1
95.01383	4.7
96.96006	11.8
98.20748	4.2
101.02448	15.1
109.02944	2.8
113.02444	17.8
115.00336	4.5
116.92850	2.4
119.03560	2.4
133.01459	1.9
135.04524	5.8
143.10806	2.4
150.03204	2.0
161.04565	3.7
173.11780	2.0
187.13449	2.8
353.00861	2.7
359.28079	2.9
375.27029	2.7
377.29153	12.6
405.16211	2.3
521.33228	100.0
522.33649	10.6
539.34222	20.7
540.34827	3.3
581.35382	10.7
625.36511	6.2
649.98419	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	625.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00325	0.4
70.97636	0.4
91.05528	0.2
102.04750	1.1
103.05534	4.8
115.05522	0.5
121.06621	0.3
130.04243	22.6
131.05081	2.1
145.31223	0.1
147.04573	0.3
149.06076	9.2
150.06326	0.2
159.04509	100.0
160.04840	3.6
175.03975	0.4
200.69987	0.2
203.03497	85.3
204.03830	3.0
258.21356	0.2
347.07758	0.6
586.02924	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88159	0.5
59.01371	1.8
61.98826	1.3
71.01366	1.5
71.41788	1.2
78.52103	0.7
85.07791	0.5
102.04758	0.6
103.05519	2.8
109.23179	0.5
113.84747	0.5
130.04242	11.7
131.05009	1.7
149.06096	5.2
159.04506	100.0
160.04884	3.1
171.12953	0.6
180.82224	0.7
203.03490	45.4
204.03838	1.4
269.09402	0.5
273.22095	0.7
277.21695	4.7
291.23282	4.4
301.21716	0.7
319.23096	0.8
324.19315	0.5
469.25589	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	3.9
59.01382	57.5
61.98837	8.3
71.01377	20.3
71.50557	3.2
72.99301	2.0
73.02939	6.1
75.00870	6.2
83.01445	3.6
85.02944	9.8
88.98796	2.0
89.02464	8.5
95.01411	3.8
96.95980	2.7
99.00882	4.0
101.02432	12.8
113.02456	14.8
119.03490	1.6
125.02414	2.9
133.01405	2.3
135.04483	2.9
142.51628	1.6
143.03407	1.8
161.04507	2.4
179.03499	2.3
187.13342	1.9
187.55469	1.6
193.05040	1.5
227.07150	3.1
359.28003	3.8
377.29257	10.3
478.73010	1.9
521.33295	100.0
522.33813	8.4
539.34247	14.1
581.35199	3.3
625.15936	3.1
625.34912	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	625.2661
Annotation	red chlorophyll catabolite
Peak:m/z	Relative Intensity
59.01370	6.4
61.98816	4.0
65.99844	5.3
71.50006	3.6
96.96012	5.7
108.04562	5.7
108.08192	3.8
109.83849	3.6
116.05047	6.4
124.07671	8.5
140.01353	3.3
144.04486	5.7
160.04018	15.5
168.06648	9.9
174.01987	12.1
176.07138	4.5
187.02776	11.3
188.03511	13.8
219.01688	6.8
219.05263	4.4
226.29370	3.9
226.31491	3.9
239.15341	4.7
241.63411	4.0
277.21524	5.1
289.98761	3.5
293.09225	5.6
295.10632	4.4
391.73407	3.3
406.21411	6.6
410.15314	9.2
424.16632	12.5
425.17313	10.8
469.50742	3.5
471.21692	5.1
505.25928	4.5
513.22876	10.5
530.22827	5.4
545.25055	6.8
549.24933	17.9
581.20917	4.6
593.23993	100.0
594.24316	7.7
625.26807	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	625.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.9
55.17903	0.6
57.03444	1.4
58.00587	1.2
59.01377	24.6
61.98826	2.9
69.03437	1.2
70.10017	0.6
71.01383	14.7
72.99294	1.2
73.02946	3.1
75.00851	1.5
77.80130	0.5
81.14583	0.6
83.01372	1.8
85.02948	4.1
87.00879	2.6
89.02442	13.8
95.01378	1.9
96.96001	0.9
97.02909	1.8
99.00893	1.4
101.02449	10.6
106.40215	0.6
113.02429	5.2
115.00408	0.8
119.03490	3.8
125.02422	2.7
133.01428	0.8
135.04468	0.8
143.03510	1.2
157.97592	0.8
161.04530	1.5
165.11426	0.9
165.12823	8.3
179.03424	0.6
179.05630	1.4
183.13893	65.7
184.14215	2.6
209.11880	1.2
221.06584	2.0
225.75604	0.6
227.12852	9.6
235.08214	1.8
287.88611	0.7
300.46060	0.7
397.13538	6.4
415.14590	5.8
521.33051	1.8
625.27051	100.0
626.27484	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	625.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76761	0.3
55.01875	0.6
57.03445	0.6
58.00600	1.1
59.01381	20.6
61.98816	0.4
69.03442	0.9
69.55121	2.1
71.01383	12.5
72.93150	0.3
72.99306	0.8
73.02960	2.8
75.00883	1.4
76.27951	0.4
81.03454	0.6
83.01382	1.6
85.02956	2.9
87.00880	2.6
89.02447	12.2
95.01392	0.8
97.02972	1.8
99.00886	0.7
99.04561	0.4
101.02442	10.5
111.08170	0.8
113.02449	4.1
115.03974	0.4
117.82878	0.4
119.03514	3.0
125.02457	2.5
131.03537	0.4
141.01965	0.3
143.03497	0.9
150.41068	0.3
161.04597	1.7
165.12849	11.4
175.88287	0.3
179.05609	1.5
183.13901	77.5
184.14235	3.6
209.11864	0.8
221.06708	0.9
227.12875	11.0
227.15154	0.5
235.08220	2.1
253.09320	0.4
301.16684	0.6
323.09790	0.4
397.13480	6.7
415.14633	4.0
445.20404	0.5
581.33600	0.4
607.26343	1.1
625.27124	100.0
626.27448	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	625.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01205	0.6
59.01378	5.0
61.98821	2.2
69.30984	3.6
69.31386	0.9
71.01378	3.6
71.52744	0.5
73.02950	0.6
86.75117	0.5
91.60683	0.7
91.78340	0.6
94.71597	0.6
95.01389	0.8
101.02423	0.6
103.05564	2.0
106.99553	0.5
115.00353	1.5
115.05550	0.7
119.03421	0.8
121.02947	2.7
130.04237	13.8
131.05029	1.6
133.02953	1.2
134.74382	0.6
135.04559	0.7
145.02901	1.4
146.03726	0.9
147.04549	1.6
149.06073	6.8
152.24120	0.6
157.02963	0.8
159.04509	100.0
160.04848	3.1
163.07616	0.6
164.04823	0.9
168.66258	0.5
169.06577	0.8
171.04466	0.9
172.05304	1.8
173.06065	14.9
174.06758	1.6
178.02765	1.2
185.02393	1.0
185.06116	3.7
185.09676	1.6
187.07626	3.2
188.08304	0.8
189.09215	4.4
199.07629	5.1
200.08420	2.4
203.03496	51.9
204.03815	1.9
211.03995	1.1
213.09265	3.9
214.09918	1.5
215.10774	7.4
227.07175	1.1
228.11655	0.6
229.12367	1.3
259.09720	6.9
290.05753	0.7
291.06714	1.2
305.08295	0.8
331.09726	1.7
332.10413	2.1
341.11829	1.6
343.13126	1.3
347.12863	29.5
348.13162	2.4
360.13278	0.6
365.08737	1.4
369.11383	3.0
375.15982	15.5
376.16473	1.4
401.13983	1.5
419.15085	7.9
420.15656	0.9
445.12903	11.1
446.13205	1.1
463.13919	9.2
464.13916	0.9
469.20050	0.6
471.11276	0.7
607.18359	0.7
625.19202	98.9
626.19684	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	623.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31490	1.3
57.03447	3.5
59.01384	37.8
61.98830	8.5
68.52380	1.1
68.56633	1.2
69.27720	4.6
69.28144	6.4
71.01385	16.2
72.99306	3.6
73.02959	9.7
75.00876	41.9
83.01380	4.4
85.02962	8.5
87.00898	4.4
88.98803	2.0
89.02446	7.5
95.01408	2.0
96.96027	1.6
98.19947	2.5
99.04513	2.4
101.02438	12.4
111.00916	1.2
113.02461	5.6
115.00372	1.5
119.03522	1.4
125.02446	1.2
133.01375	1.3
159.04460	1.6
161.04596	1.6
177.01918	5.0
199.13336	1.5
269.21201	3.0
271.19391	2.0
285.20483	1.7
317.52588	1.6
357.26508	11.3
375.27463	14.8
446.12082	1.4
519.31482	7.0
537.32788	15.9
564.95380	1.3
579.33789	100.0
580.34253	9.5
623.36499	46.0
624.36523	5.0
629.22565	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	624.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93737	0.9
55.31762	1.0
55.46935	1.2
55.61419	1.0
56.13947	0.9
57.27861	1.1
59.95945	0.9
61.98833	100.0
64.98899	1.1
70.25373	4.5
82.85001	1.1
96.83113	1.1
104.84657	1.0
134.17421	1.1
151.92473	1.1
185.27124	1.1
209.88405	1.1
222.01534	1.2
270.65356	1.3
279.84256	1.2
290.90649	1.1
330.47565	1.4
361.08698	1.2
451.44528	1.3
611.45551	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	625.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89541	0.6
59.01377	3.6
61.98824	1.3
62.44332	0.6
71.01381	3.3
79.49153	0.6
83.01392	0.6
94.90364	0.5
95.01387	0.9
98.19959	1.6
99.04535	0.5
102.04735	0.5
103.05537	2.7
108.13936	0.5
113.02445	0.7
115.00361	1.8
115.05553	0.7
119.41931	0.6
121.02959	3.4
123.04604	0.6
130.04247	14.9
131.05020	1.4
132.05823	1.0
133.02975	2.0
146.03754	1.1
147.04500	1.5
149.06075	5.1
157.03009	1.5
159.04512	94.3
160.04871	3.3
163.07610	0.9
164.04735	0.9
169.06584	0.7
172.05385	1.4
173.06070	14.7
173.07564	0.9
174.06810	2.6
178.02684	1.2
185.02464	0.9
185.06082	4.1
185.09700	2.0
187.07617	3.4
187.11369	0.8
188.08423	0.6
189.09212	4.7
197.11702	0.7
199.07680	5.1
200.08437	3.3
203.03499	43.3
204.03827	1.5
211.04030	2.2
213.09193	4.7
214.09937	1.6
215.10756	7.7
227.06984	1.2
228.11676	0.8
229.12314	2.5
259.09747	7.2
285.05591	1.0
291.06470	1.1
305.08179	1.3
315.10135	0.6
317.08298	0.8
331.09741	1.0
332.10587	2.0
341.11694	1.9
343.13275	0.9
347.12848	25.6
348.13159	2.7
365.08615	1.9
369.11234	3.2
370.11685	1.1
375.16025	13.8
376.16321	1.2
401.13943	0.8
419.14993	8.7
420.15210	1.0
445.12909	9.0
446.13010	1.0
463.14044	5.2
581.20178	0.7
625.19196	100.0
626.19598	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	623.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.9
59.01381	22.9
69.25327	5.1
69.25745	8.6
71.01389	8.2
73.02945	6.4
77.47366	1.6
83.35586	1.6
85.02953	3.0
89.02441	3.3
101.02438	4.7
113.02460	2.2
195.93274	1.9
231.84021	1.7
234.06213	1.5
329.23257	2.4
352.52310	1.6
357.26581	10.5
375.27533	46.2
376.28018	3.9
417.28751	2.0
494.41238	1.7
519.31860	7.5
524.90259	1.9
537.32813	21.1
564.09991	1.9
579.33801	100.0
580.34113	10.3
623.35663	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	623.328
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73401	1.5
51.63086	1.5
57.03415	1.7
59.01378	24.9
60.07928	1.5
62.66211	1.7
62.68918	1.6
70.99554	3.0
71.01385	8.1
73.02934	6.4
75.00856	2.9
83.01397	1.9
85.02943	2.9
89.02409	1.7
92.29993	1.8
92.61546	1.4
101.02440	5.7
164.99159	1.7
224.35364	1.8
266.64670	1.7
311.22153	2.0
320.60840	1.9
326.09451	1.6
357.26413	7.1
375.27444	46.1
376.27728	2.7
417.28473	2.8
519.31891	8.0
537.32776	17.6
538.32129	2.3
578.24585	2.0
579.33765	100.0
580.34283	13.7
582.09131	1.8
623.35071	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	623.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98816	5.7
62.10111	3.8
63.35569	3.4
70.35614	13.4
75.76450	3.8
96.20229	3.7
110.30280	3.7
111.85150	4.0
270.06360	3.5
270.80975	4.0
419.22363	9.9
432.23190	13.4
433.23651	6.9
446.19907	4.4
447.25711	47.4
448.26144	7.8
460.22681	22.4
461.16647	5.1
461.23657	4.7
474.20590	10.5
475.24994	72.7
476.18689	9.5
476.25467	12.5
490.20090	14.0
491.20786	17.9
492.25583	7.9
503.24493	18.1
519.23895	5.4
535.26581	8.1
547.23547	44.6
564.23761	100.0
565.24207	10.0
623.24634	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81796	3.0
61.98833	4.7
63.17162	3.1
67.60163	2.8
73.72887	2.5
75.88953	2.6
95.95322	3.1
98.20757	7.3
149.38342	3.2
198.05571	8.1
200.07101	3.4
210.05659	2.9
211.06410	3.2
217.09862	4.6
226.05074	3.5
233.11046	3.4
237.14041	4.0
239.05933	4.1
239.15541	4.1
240.06612	5.9
254.06920	3.5
317.41544	3.2
343.10834	5.8
421.20374	3.4
431.22604	4.2
443.22577	3.7
445.20544	6.1
446.20813	3.1
461.23599	35.9
478.21182	8.0
479.24994	3.8
481.22696	5.0
489.19617	4.3
503.24564	100.0
504.21722	8.5
505.22354	9.4
523.23511	11.0
529.21844	3.4
537.25140	97.1
538.25342	11.5
547.23560	67.4
548.23615	8.4
579.26532	7.2
591.22528	15.5
623.25629	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	623.328
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92871	0.7
57.03440	1.7
59.01372	5.2
61.52568	0.6
66.78199	0.6
69.65525	4.3
71.01390	1.1
73.02945	4.7
85.02948	0.7
85.74185	0.6
113.02377	0.9
117.39266	0.6
123.08190	0.8
127.77063	0.6
135.08136	0.8
139.11305	0.7
141.12915	0.7
146.98952	0.5
157.12335	1.5
160.80565	0.6
169.12263	1.6
185.11823	2.3
215.12852	0.9
216.06392	0.6
328.94525	0.7
329.23425	2.4
357.26303	7.0
358.26611	0.9
370.15356	0.7
373.25793	0.8
375.27484	100.0
376.27853	8.9
389.29065	2.1
417.28458	3.2
459.29507	1.0
579.33679	7.8
580.33691	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	623.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.7
59.01357	2.0
66.66899	0.7
70.25439	1.1
70.25816	1.0
71.01361	1.0
75.00874	0.9
87.04564	0.6
97.02894	0.6
101.02434	0.9
141.12947	0.7
157.12329	0.8
169.12311	0.9
185.11873	1.7
189.44327	0.7
215.12828	0.8
297.75342	0.6
298.26657	0.7
327.21710	1.0
329.23212	1.0
339.25613	0.9
357.26428	4.6
373.25980	1.8
375.27475	100.0
376.27802	7.4
389.29037	2.3
408.04800	0.7
417.28616	1.8
519.32147	0.8
579.33789	6.3
623.36200	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1614
Annotation	Isorhamnetin-3-Glucoside-4'-Glucoside
Peak:m/z	Relative Intensity
54.14067	0.6
57.03448	1.2
57.95706	0.6
59.01378	21.4
65.00301	0.6
69.65608	2.6
69.66032	1.3
71.01382	2.5
79.88510	0.6
80.35848	0.6
83.01406	1.4
85.02975	0.9
89.02451	1.1
93.03465	0.7
96.95982	1.0
98.19991	1.2
99.04550	0.8
101.02440	1.1
107.01389	1.1
109.02952	0.7
113.02395	0.9
123.30840	0.7
125.02401	1.0
135.00916	1.0
135.04536	1.4
151.00360	2.9
159.04562	0.8
163.00327	0.8
171.04588	0.8
179.03397	1.0
180.83302	0.7
199.04018	2.7
203.03412	1.0
208.82449	0.8
215.03468	2.2
226.02621	1.1
227.03517	4.1
228.03937	0.9
242.02222	1.4
243.02991	15.3
244.03625	1.9
254.02179	1.3
255.02985	16.2
256.03439	1.7
257.04514	1.9
270.01733	2.0
271.02472	49.2
272.03085	4.9
285.04175	3.1
286.04611	0.8
287.05502	0.9
299.01959	38.0
300.02728	67.4
301.03226	3.4
314.04324	18.3
315.05090	100.0
316.05365	5.3
324.17273	0.7
329.13849	1.9
341.14023	1.0
365.89130	0.8
371.15009	2.6
383.14780	1.6
519.31702	1.7
613.41730	0.7
623.16138	59.3
624.16357	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	621.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	22.3
61.73336	1.7
71.01375	8.1
71.27925	4.5
73.02948	3.5
83.01406	2.3
85.02975	3.4
87.00869	2.0
89.02449	3.4
101.02454	4.5
111.24466	1.8
171.10262	2.5
215.12935	2.2
250.45547	1.9
355.24762	5.5
373.25885	17.5
473.73703	2.1
517.30042	9.1
535.31036	16.5
536.31622	2.1
577.32202	100.0
578.32660	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	621.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50626	1.7
57.03436	3.6
59.01377	53.2
61.98816	1.8
69.65681	8.3
71.01381	12.1
71.04996	2.2
73.02950	41.6
83.01390	3.3
85.02944	4.7
89.02442	4.9
98.20711	1.9
101.02458	8.8
110.16862	1.8
113.02428	5.1
171.10236	2.3
176.94182	2.2
185.11725	1.9
263.20514	1.9
271.19141	4.1
355.24716	4.1
373.25848	29.1
373.30200	3.3
443.26303	2.4
498.51315	1.7
517.30255	3.5
520.19073	2.2
535.30847	3.8
562.01245	1.7
577.32281	100.0
578.33063	13.0
621.13965	2.0
621.34827	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	621.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11550	1.0
57.03445	1.5
59.01385	23.6
70.81009	2.9
71.01385	9.5
73.02948	9.0
85.02962	1.5
87.00883	1.9
89.02451	3.4
99.00880	1.4
101.02450	6.3
109.71194	1.0
113.02479	3.0
119.03559	1.3
122.44417	1.1
125.09698	2.2
171.10278	4.1
185.11867	2.8
194.28600	1.2
199.13417	1.5
215.12901	4.9
226.21077	1.1
325.23715	1.2
343.24936	3.4
355.24982	9.7
373.25949	76.8
374.26398	6.8
415.26968	1.5
517.30109	5.2
531.29852	1.2
535.31262	16.0
535.38818	2.0
536.31555	2.8
577.32300	100.0
578.32672	13.4
599.43915	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	621.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60437	2.0
57.03443	13.3
59.01379	48.7
60.99308	19.6
70.71077	3.9
71.01388	8.8
73.02914	1.7
77.22962	1.8
85.02941	3.3
88.98804	100.0
89.02435	4.4
90.16033	1.6
99.04515	22.2
101.02441	5.0
103.04066	2.4
109.67838	1.7
113.02464	2.9
116.04362	1.9
125.02468	11.3
146.01442	1.7
153.09203	4.0
161.04564	3.0
163.00308	2.4
175.00250	2.8
225.14925	8.0
227.03363	2.1
255.03096	2.3
293.04535	9.5
294.04855	6.5
295.05179	7.8
312.02661	4.3
312.05911	3.3
335.53522	2.1
339.12234	3.1
369.18857	2.6
387.19800	2.7
429.21155	6.7
455.09647	2.1
456.10080	2.1
457.10355	7.9
487.24637	1.9
531.24286	11.3
561.14832	5.2
621.16516	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	621.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78880	0.9
53.86391	1.0
55.01871	1.6
57.03448	2.9
58.00576	1.4
59.01379	55.5
61.98823	3.6
69.22510	9.2
71.01376	18.8
72.99303	1.8
73.02945	8.3
75.00875	2.4
83.01397	2.4
85.02950	7.9
87.00871	3.9
87.04485	1.2
89.02450	9.1
95.01395	2.0
97.02941	1.2
99.00866	2.1
99.04488	1.6
101.02444	13.0
113.02441	7.3
115.00292	1.2
119.03494	2.5
123.89581	0.9
125.09662	1.8
134.26567	0.9
161.04507	1.1
193.93166	1.0
208.92897	1.0
217.16161	1.3
293.24881	1.1
295.22726	9.5
307.01746	1.1
311.25821	2.6
313.23859	29.3
327.25403	1.2
341.27014	2.4
373.25854	2.0
457.28107	6.4
473.31204	1.6
475.29083	26.7
476.29691	2.3
501.30435	2.0
502.84647	1.1
505.24423	1.5
517.30133	19.4
535.30835	2.0
559.31354	1.5
561.32623	7.8
577.32257	100.0
578.32770	10.8
621.32666	22.0
622.32751	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	621.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53328	1.4
51.32193	1.1
57.16170	1.2
59.01382	53.9
61.98832	1.5
64.90761	1.4
69.54967	7.4
69.55370	2.9
71.01392	19.3
72.99319	2.4
73.02942	6.3
74.75391	1.3
75.00884	1.4
80.60506	1.5
83.01393	2.3
85.02947	6.9
87.00877	5.6
88.98827	1.6
89.02445	8.3
97.40730	1.5
99.00907	1.6
101.02416	11.5
113.02442	5.8
119.03476	2.3
125.02417	1.9
147.33124	1.3
164.55565	1.3
168.81497	1.6
186.92407	1.6
232.46213	1.5
255.70827	1.7
288.50369	1.5
295.22803	10.4
311.25931	4.0
313.23859	34.1
314.24063	1.9
341.27048	1.8
349.70593	1.8
457.28131	7.8
473.30872	3.2
475.29074	24.6
476.29831	2.8
501.30676	1.7
517.30060	18.9
561.32959	3.8
577.32324	100.0
578.32587	8.6
621.32709	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	621.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19783	1.4
51.95880	1.2
61.98815	2.0
75.00867	1.6
87.16422	1.4
99.71290	1.3
99.92574	1.8
116.92855	12.5
120.04552	1.7
137.63780	1.3
165.08952	1.2
168.35606	1.4
276.11511	1.2
401.17841	1.6
415.19653	2.0
428.16104	1.8
429.17020	2.0
430.18475	2.0
431.14267	2.5
431.18909	3.7
433.20169	4.7
442.17767	2.2
443.18719	6.9
444.19675	8.0
445.16202	6.6
445.20523	6.0
446.21021	5.0
447.21616	3.4
450.16583	2.0
457.20230	5.2
458.21658	7.9
459.22491	17.4
460.22644	3.8
461.18561	1.9
461.23303	6.1
471.17529	7.1
472.23181	2.3
473.18808	6.1
473.23672	6.4
474.16016	5.5
474.21643	13.9
475.20950	4.8
483.21735	2.2
485.19727	9.9
486.20615	32.8
487.20770	4.4
488.18280	16.1
489.18689	66.4
490.18985	9.2
499.21347	3.6
500.22021	2.0
501.22949	100.0
502.23422	12.8
503.21039	7.3
504.21674	5.9
505.22000	1.6
512.17999	2.1
516.17938	19.1
517.17072	3.0
517.23291	1.8
518.23163	30.2
519.23401	2.3
527.20844	7.4
528.20789	1.8
530.19342	4.0
533.25763	53.7
534.26001	6.9
544.21002	3.7
545.21906	69.7
546.22046	7.7
547.20105	1.5
548.20648	83.3
549.20276	10.8
559.23315	12.7
560.23175	2.9
561.21338	8.1
562.22180	20.7
563.22528	2.6
577.24506	15.7
592.22882	2.4
621.23383	70.9
622.23401	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	621.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	22.2
59.01378	9.2
61.98830	1.4
66.70441	0.4
69.60863	2.8
71.01373	2.1
73.02927	1.4
76.07604	0.4
81.03454	1.5
83.01399	0.5
85.02940	0.9
89.02423	0.9
96.96024	0.5
98.19816	0.7
99.04519	28.6
101.02444	4.4
105.52509	0.5
113.02464	0.8
125.02449	25.0
130.04260	2.4
143.03561	0.5
173.02399	1.6
174.03206	20.0
206.02196	17.8
207.02502	0.6
214.06310	0.7
229.08682	100.0
230.09018	5.7
271.09555	0.6
325.36575	0.5
359.12793	0.5
441.26215	0.6
577.32263	0.7
621.32959	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	621.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55673	0.7
71.49342	1.1
72.31596	0.7
78.48535	0.8
99.94167	0.8
101.01593	0.7
108.25982	0.8
116.92854	2.4
130.05441	0.9
145.02885	1.1
146.03313	1.0
150.06401	0.9
276.70798	0.8
401.17828	1.5
403.19055	0.9
414.18250	1.6
415.19116	3.0
427.15121	1.3
428.16086	1.9
429.16806	1.0
430.13739	1.4
431.14407	1.8
431.19034	2.7
433.20465	2.4
441.17142	1.2
442.18021	1.5
443.18756	5.2
444.19708	6.0
445.21106	9.7
446.21426	4.7
447.21887	1.9
456.19376	1.0
457.20508	6.7
458.21228	8.5
459.14209	1.5
459.22595	13.0
460.14749	0.9
460.23376	3.7
461.23669	6.6
462.24191	1.4
463.21600	0.9
471.17609	8.9
472.17746	1.2
472.23383	1.4
473.16293	2.7
473.23166	5.2
474.15479	1.9
474.21384	14.5
475.21082	3.8
484.19022	1.8
485.19778	17.0
486.20535	36.8
487.21387	4.6
488.18311	8.5
489.18866	11.8
489.23083	15.1
490.19696	3.6
490.24677	0.9
499.21255	2.9
500.21762	1.3
501.22952	100.0
502.23419	11.8
503.20938	3.4
504.21729	1.5
512.18304	1.9
516.17944	11.8
517.17731	1.0
518.23328	16.7
519.22754	0.9
527.20898	11.1
528.20917	2.3
530.19824	1.9
531.19788	1.1
533.25977	31.2
534.25891	4.1
544.20874	4.1
545.21899	55.8
546.22382	6.7
548.20551	18.4
549.21698	3.1
559.23468	14.4
560.23889	1.9
561.21783	5.1
562.22119	15.2
563.22290	1.9
577.24481	21.9
578.24463	2.2
589.21216	1.9
593.23499	1.2
620.38977	1.5
621.23468	20.1
621.39233	1.3
622.24036	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	621.182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37910	0.3
53.34697	0.4
55.01861	0.3
57.03447	19.5
59.01379	8.6
61.98836	1.9
71.01379	2.3
71.51556	0.8
72.99289	0.7
73.02945	1.4
73.06087	0.4
74.66086	0.3
75.00861	0.5
81.03475	1.9
83.01396	0.4
83.05052	0.4
85.02950	0.7
88.98808	1.0
89.02445	1.4
91.24035	0.4
96.96015	0.4
99.04520	24.8
101.02440	5.1
113.02443	1.1
115.00445	0.4
116.92834	0.5
119.03540	0.6
123.04488	0.5
125.02444	23.4
126.02714	0.4
130.04237	2.3
143.03529	0.5
145.02975	0.8
161.04547	0.5
169.01384	0.4
173.02402	2.0
173.74162	0.3
174.03209	19.6
175.03545	0.8
178.52731	0.4
178.85765	0.3
206.02188	18.4
207.02527	0.8
214.06389	0.6
227.07127	0.3
229.08682	100.0
230.08997	4.7
233.04581	0.4
271.09769	0.5
286.45547	0.3
337.10706	0.5
345.85828	0.4
357.26416	1.0
402.21176	0.4
441.26208	0.4
561.39874	0.6
577.32367	0.8
621.32684	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.8
71.01382	24.1
71.49619	4.1
72.58649	2.0
92.11191	2.2
99.00835	2.8
99.86160	2.1
102.40091	2.0
109.02924	4.3
113.89362	1.9
115.00381	16.1
119.05027	42.4
121.02943	2.7
129.34492	2.0
133.01434	36.7
133.02969	3.2
135.04520	17.5
147.04533	3.8
152.22076	2.1
155.42249	2.1
163.00420	3.4
163.04012	100.0
164.04315	3.2
175.03989	2.4
179.03491	11.0
180.03926	2.7
183.67722	2.0
185.00883	4.0
193.05032	1.9
227.03618	2.4
231.03148	2.2
253.47939	2.3
267.03125	2.8
269.08139	8.8
271.02551	3.1
279.05115	3.4
283.02521	4.8
300.02625	3.4
312.02798	8.2
313.03427	8.1
337.99039	2.4
353.06113	3.0
412.30341	2.6
459.08542	2.6
505.09677	6.7
585.48505	2.5
613.50159	2.2
621.14215	26.2
622.14777	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19792	1.2
59.01358	2.5
71.01382	18.5
89.02483	1.1
96.95989	1.7
109.02934	4.3
115.00353	9.5
117.03452	5.5
119.05025	1.4
119.19878	1.2
121.02921	1.6
123.00944	1.5
133.01439	7.2
133.02966	2.6
134.03737	53.3
135.00891	1.6
135.04443	3.7
137.02487	2.8
147.00873	2.3
147.04466	1.9
148.01680	2.5
149.06073	6.8
163.00368	10.1
163.03905	2.9
167.03424	1.8
175.00360	4.2
176.01106	5.8
177.01900	1.8
178.02655	5.4
179.03450	2.0
183.04538	1.6
190.68501	1.3
193.05042	100.0
194.05382	4.4
195.04498	1.2
199.03926	2.2
200.04829	1.3
211.04024	7.0
212.04784	2.7
215.03543	1.8
219.03032	1.5
219.79826	1.3
227.03531	6.5
227.27939	1.1
228.04211	3.8
229.50746	1.2
239.03436	3.8
240.04295	3.3
241.05067	2.3
243.02885	2.1
253.05045	1.8
255.02939	9.4
256.03699	7.5
257.04453	3.0
267.02957	10.2
268.03516	1.3
271.02399	3.1
281.26361	1.4
283.02478	22.8
284.03229	4.8
285.04108	9.8
300.02734	4.6
309.06165	3.1
311.02032	3.4
312.02759	45.6
313.03568	23.3
313.06982	2.2
314.03726	1.5
317.99069	1.3
339.04877	3.1
355.04236	1.5
369.06216	4.5
381.05981	1.6
398.79767	1.4
399.07050	5.2
429.08163	1.8
459.09390	5.3
505.09763	6.3
517.09930	3.2
531.11359	2.2
621.14551	55.3
622.15143	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	619.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42359	24.0
58.68065	21.7
59.01366	57.0
59.25992	21.8
61.98830	24.2
72.09983	22.9
74.09398	18.5
104.51734	23.6
145.66924	21.2
165.12915	24.6
291.19592	30.7
309.20694	100.0
408.11450	25.5
619.30969	35.1
621.58380	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61747	1.9
59.01377	27.5
59.39751	1.8
71.01378	10.4
71.25455	1.7
73.02936	7.1
85.02942	4.3
87.00877	3.3
89.02435	4.9
101.02448	8.1
108.31672	1.7
113.02460	3.3
125.09751	3.5
156.29875	1.6
161.71446	1.8
171.10269	5.8
203.64136	1.8
229.46394	2.0
341.23395	2.1
353.23203	5.3
354.23462	1.9
371.24420	14.5
372.24442	1.7
515.28558	6.4
533.29645	11.3
553.01379	1.8
575.30731	100.0
576.31000	12.5
619.33075	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	619.2991
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21440	1.2
54.76061	1.1
55.01855	1.8
57.03455	20.3
58.00581	1.2
58.03777	3.3
59.01383	100.0
60.01707	3.5
61.01800	1.5
61.98804	1.4
65.05856	1.4
68.36489	1.1
69.03395	1.4
69.36157	1.2
69.36449	10.8
71.01384	22.1
71.05020	1.7
71.28020	1.3
72.99287	1.2
73.02953	7.7
76.10770	1.3
81.03466	2.0
83.01384	3.2
85.02962	7.4
86.00117	1.4
87.00845	1.8
87.91298	1.2
88.98792	1.7
89.02456	12.0
91.26757	1.2
95.01393	3.4
96.96014	5.3
97.02954	1.3
98.19926	3.0
99.00880	2.0
99.04520	26.5
100.04874	4.7
101.02452	16.3
102.02806	1.5
106.50603	1.2
107.35934	1.6
109.03023	1.5
112.26447	1.3
113.02466	10.8
113.66091	1.3
115.00324	2.6
119.03493	4.1
123.00925	7.1
123.01642	1.2
125.02454	12.2
125.09755	1.7
126.02843	3.2
128.78966	1.4
135.04477	2.2
138.03226	6.2
141.47998	1.3
143.03490	1.5
150.03224	2.4
161.04530	3.2
165.01897	2.5
166.99846	9.3
179.03423	1.4
182.02231	21.4
197.04561	36.2
276.48953	1.2
309.24286	1.4
337.23050	1.4
364.16965	1.4
371.11676	1.5
411.35666	1.5
431.39221	1.3
453.19199	3.0
459.10962	3.1
515.28625	2.1
533.30328	1.5
575.31250	49.4
576.31085	6.0
619.23883	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2557
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
64.59948	1.5
65.51738	1.4
66.58954	1.2
69.14545	4.7
69.14968	7.6
85.92912	1.3
94.63568	1.4
99.00181	1.2
106.02322	1.2
115.72284	1.2
189.91307	1.3
204.33203	1.3
401.13831	2.7
415.15436	3.0
416.16400	12.6
429.17609	3.2
430.18100	3.5
444.15970	1.5
458.17365	2.8
459.18237	100.0
460.18613	10.3
473.19846	15.4
474.20505	7.5
496.44009	2.0
503.17365	2.0
517.18518	1.8
518.19598	45.0
519.19836	4.3
532.21057	9.0
533.21899	94.1
534.22369	10.1
587.22986	5.4
619.25562	87.7
619.35858	2.7
620.25940	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	619.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.3
61.98819	6.7
69.73219	5.2
69.73638	7.6
82.37247	1.8
86.65349	2.0
124.74764	1.9
131.58902	1.9
139.55272	1.9
146.96555	4.0
207.62314	2.0
350.65509	2.3
384.39020	2.1
401.14450	2.3
415.15436	2.7
416.16446	11.7
459.18234	100.0
460.18686	10.1
473.19794	13.0
474.20300	8.2
500.93164	2.1
518.19586	44.5
519.19873	5.3
532.21283	8.1
533.21930	97.3
534.22247	11.8
587.22882	6.3
619.25580	80.3
620.25964	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	619.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76916	0.7
57.03438	1.8
59.01377	19.3
69.19729	1.1
69.20056	7.8
71.01376	7.6
73.02946	6.8
83.01417	1.9
85.02930	2.4
87.00865	1.8
87.04539	0.8
89.02457	2.4
96.96033	0.8
101.02447	3.8
109.06556	0.8
113.02448	2.1
119.03480	1.2
121.72894	0.7
123.08176	1.4
125.09714	2.0
125.66151	0.8
155.10915	0.8
171.10258	6.9
215.12868	1.0
341.23373	5.9
349.70773	0.8
353.23190	5.3
355.24829	4.7
356.24969	1.0
371.24332	13.2
372.24637	1.3
503.28287	1.1
515.28442	3.2
533.29584	7.7
575.30688	100.0
576.30939	13.0
619.33344	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01759	2.2
59.01363	4.7
71.01380	15.6
72.99320	2.5
83.38966	2.1
89.02429	5.2
98.20695	3.9
103.13011	2.0
115.00362	36.7
119.05000	2.1
119.55863	2.1
132.08830	2.2
133.01425	100.0
134.97687	2.0
135.04523	45.3
179.03503	48.1
243.30925	2.2
246.56996	2.4
257.12546	2.3
323.05630	4.9
323.13403	8.6
351.05035	5.2
387.11069	3.6
409.05472	4.9
471.09003	3.0
503.14166	12.1
619.12726	20.4
619.47925	2.3
620.13843	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	619.167
Annotation	Vitexin 2''-O-rhamnoside 6''-acetate
Peak:m/z	Relative Intensity
57.03440	3.1
58.00596	2.0
59.01382	54.1
65.00320	1.3
71.01379	12.6
72.99313	2.6
73.02944	6.0
78.24901	0.9
85.02957	5.3
89.02454	7.1
89.12599	0.8
93.03465	1.2
98.19940	3.0
99.04520	2.2
101.02444	6.8
103.03998	3.9
113.02428	1.1
117.03474	11.0
119.03519	1.7
119.04955	1.0
119.20185	1.0
125.02483	1.5
131.01372	1.8
161.02483	2.6
163.00368	1.0
173.02415	3.9
175.00397	10.3
183.04559	1.0
191.75519	0.9
254.05891	1.3
265.04980	1.4
269.04565	11.9
279.06717	1.3
281.04547	9.4
282.05292	5.7
283.06033	11.2
293.04581	100.0
294.04800	7.3
295.06128	8.3
307.06058	1.5
309.04047	3.0
311.05615	16.5
314.04312	4.9
321.04028	5.3
323.05640	13.7
335.05597	5.2
337.07663	1.0
339.05194	2.1
341.06631	12.1
351.04703	1.4
353.06567	2.5
377.06815	1.3
395.07693	8.3
396.07925	1.5
413.08636	2.8
455.09854	64.2
456.10031	4.9
457.11365	6.5
559.14642	21.9
560.14966	2.6
619.16663	79.5
620.16943	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	617.3847
Annotation	Tabernaebovine
Peak:m/z	Relative Intensity
51.00945	0.2
61.98536	0.2
61.98833	0.9
66.95863	0.2
69.16561	0.2
70.05506	0.4
70.05901	0.4
73.72408	0.2
87.61739	0.2
117.03472	25.1
118.03787	0.5
119.05030	6.9
119.94537	0.2
121.02959	1.3
123.04533	0.6
133.02959	0.3
133.10345	0.2
134.03746	0.3
145.02960	89.3
146.03284	2.4
162.03261	0.7
163.03999	2.5
196.03084	0.3
267.55118	0.2
453.33682	1.9
497.32715	1.5
498.33240	0.2
573.39380	0.7
585.01508	0.3
617.38464	100.0
618.38788	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	617.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.4
61.98820	0.9
65.64990	0.3
65.79685	0.4
66.62753	0.3
72.72106	0.3
78.95923	0.4
93.29797	0.3
108.20663	0.3
117.03464	29.1
118.03760	0.7
119.05025	7.4
121.02950	1.7
123.04548	0.5
145.02951	96.3
146.03287	2.5
162.03239	0.7
163.04036	1.9
221.33257	0.4
287.69284	0.3
292.41324	0.4
432.04590	0.4
453.33746	1.3
497.32669	1.5
571.37854	0.5
573.39221	0.8
617.38440	100.0
618.38794	13.3
621.45929	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77663	3.7
55.61508	3.6
56.36323	4.0
61.98839	5.8
71.01398	22.3
76.48383	4.1
78.91422	4.3
91.08028	4.4
96.96017	9.3
98.20769	7.5
115.00374	33.9
119.05029	53.4
128.55891	4.8
133.01433	88.4
133.02969	9.2
135.04532	28.0
163.04005	100.0
177.01926	94.0
179.03503	31.2
200.38612	4.7
224.49377	4.4
279.05148	4.6
339.07132	33.3
375.87949	4.3
381.64764	4.5
503.14240	6.0
581.20306	5.0
587.11633	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1662
Annotation	Cratenacin
Peak:m/z	Relative Intensity
52.60907	0.8
57.03442	1.3
58.00581	2.0
59.01378	45.8
60.35102	0.8
65.00302	0.9
69.35497	0.8
70.80595	1.8
70.80929	1.3
71.01382	11.6
72.99296	3.3
73.02942	5.6
76.42884	1.0
83.01395	1.1
85.02939	6.7
87.00838	1.3
89.00337	0.9
89.02442	5.9
93.03415	1.0
99.04520	1.9
101.02450	7.5
103.03981	2.7
104.08720	0.8
113.02448	2.0
115.00323	3.2
117.03447	11.3
119.03502	1.1
119.05011	1.3
125.02389	1.1
131.01350	1.8
133.01440	1.9
133.02905	1.1
135.04526	2.8
137.02396	1.3
141.03410	0.9
149.02429	1.2
155.03572	0.9
156.40291	0.9
159.04454	2.4
161.02423	3.3
161.04510	1.3
162.05568	1.8
163.00345	1.5
163.04027	1.0
167.03456	1.1
171.04483	1.2
173.02402	1.8
175.00357	4.5
175.02422	1.8
175.03862	1.2
177.01895	2.6
179.03529	1.6
185.02432	1.2
189.01904	1.7
195.06432	1.2
196.05197	1.2
203.03532	1.6
215.03436	1.0
216.36015	0.9
217.36084	0.8
230.35039	0.8
232.27255	0.7
237.05641	1.1
240.04243	2.1
253.05087	1.5
256.75717	0.9
265.04926	2.0
266.05875	2.0
267.06503	2.7
268.03732	8.0
269.04517	20.8
270.04794	1.2
277.05057	1.6
279.06647	6.7
281.04492	13.1
282.05322	4.1
283.02402	3.1
283.06091	3.4
291.06619	2.9
293.04538	42.4
294.04831	2.9
295.02490	3.9
295.06049	17.5
295.09424	0.6
296.03207	3.2
297.03995	28.3
298.04608	2.1
305.04593	1.5
306.05286	2.3
307.06049	11.4
308.03281	3.6
309.03979	4.4
309.07614	2.3
310.04944	1.0
311.05557	5.2
314.04239	2.6
321.03943	3.1
321.07687	4.0
322.04578	2.2
323.05569	37.4
324.06079	2.4
325.07162	2.6
334.04980	1.1
335.05585	24.4
336.05951	1.5
336.10968	0.9
337.03406	4.7
337.07120	3.2
339.05057	1.2
341.06668	2.1
347.05515	2.7
349.07205	5.4
353.06476	3.1
365.06601	7.8
367.08182	1.8
377.06601	8.8
386.58591	0.9
395.07681	18.1
412.08029	1.5
413.03577	1.4
413.08755	20.3
414.09134	1.5
443.09940	4.1
455.09738	31.0
456.10104	3.2
457.11377	1.7
459.10638	1.2
473.10596	1.1
515.28564	1.4
524.00574	0.9
559.14508	53.3
560.14996	5.4
577.15527	2.5
619.16608	100.0
620.16895	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	617.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62941	2.4
55.93859	2.6
57.03436	2.9
57.79355	2.5
59.01379	3.0
60.82073	2.5
71.49827	2.8
71.50172	2.6
75.00871	86.2
78.95914	5.5
88.98795	3.1
96.96008	5.8
97.94926	2.6
99.52776	2.3
101.02418	7.8
102.96201	2.7
103.00370	100.0
103.03999	18.6
104.03536	8.3
124.89081	2.7
131.55789	2.9
139.60612	2.7
178.23460	2.7
186.28693	2.4
197.25150	2.5
210.57774	2.8
277.21704	6.2
466.70212	2.8
481.37253	2.5
602.60516	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	617.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87827	1.4
57.03447	71.0
59.01377	93.5
71.01371	2.4
73.02937	3.8
81.03429	2.1
85.02975	1.3
99.04514	100.0
100.04877	1.7
101.02434	14.8
123.67750	1.6
125.01529	3.0
125.02444	49.2
138.97391	1.5
143.03448	4.0
215.16051	1.6
304.05139	1.8
429.21329	4.4
636.64172	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	617.261
Annotation	azadirachtin I
Peak:m/z	Relative Intensity
57.03445	0.7
59.01379	9.3
61.98824	1.2
70.65440	0.8
70.65762	1.1
71.01365	2.9
73.02942	1.7
80.05042	1.4
84.04543	0.9
85.02957	1.3
89.02448	1.2
94.02991	0.8
94.06608	1.3
95.01385	0.8
95.03747	2.2
96.04538	0.9
96.96009	1.1
97.01690	0.6
99.04521	1.4
101.02422	1.7
104.05049	1.3
106.06641	3.8
107.03754	0.8
108.04534	2.2
108.08192	23.3
109.08510	0.7
109.48880	0.7
113.02437	2.3
119.03450	0.8
120.04532	1.9
121.05307	0.7
122.06114	12.0
124.07673	9.8
132.04550	51.3
133.05353	21.0
134.06122	16.6
135.04605	0.9
138.05544	1.1
146.06067	0.8
148.04021	3.5
149.04782	2.7
150.05598	25.5
151.05943	1.0
152.07147	2.0
155.51028	0.5
161.04633	1.0
162.05621	4.4
165.04303	35.1
176.07115	2.0
177.01915	1.0
178.02057	0.8
184.07538	0.8
186.09219	1.9
198.09268	1.3
212.05742	0.6
212.10805	1.5
213.06654	2.6
213.10286	1.1
214.12364	4.2
215.11868	10.9
225.10251	1.0
226.07468	1.6
227.08209	2.0
227.11951	1.0
228.05249	1.1
228.08963	0.8
229.09843	6.0
229.13351	2.0
239.08334	1.2
239.11868	1.9
240.10536	3.3
241.09828	7.6
241.13472	1.7
242.10126	0.8
248.78035	0.6
253.13425	1.2
255.11377	7.3
257.12943	70.2
258.13214	3.8
265.09933	0.7
267.11432	1.1
268.12131	0.7
269.12930	1.7
270.13757	1.5
271.14520	11.2
272.07803	0.8
281.13025	0.9
282.13733	0.8
283.10858	22.5
284.11243	1.4
285.12439	0.8
297.12469	0.7
300.11060	2.0
301.11917	30.4
302.12213	1.7
315.13452	0.9
327.09875	5.5
388.16901	0.8
392.19693	1.3
393.16556	1.0
404.19766	1.3
412.08163	0.7
413.08633	0.8
430.17554	0.8
436.18680	2.3
448.18799	1.0
530.09546	0.9
542.66266	0.6
555.25909	2.5
557.23962	26.7
558.23706	3.4
571.25714	2.0
573.29205	5.8
581.23676	1.2
599.25055	100.0
600.25378	13.6
617.26080	60.0
618.26727	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	617.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58210	1.0
57.03444	87.7
58.00577	1.3
59.01373	61.8
69.03442	1.4
69.18756	2.4
69.19159	8.4
71.01379	17.2
73.02942	24.8
74.83294	1.0
75.00870	2.0
79.16266	1.1
81.03445	3.1
83.01369	7.6
85.02952	3.3
89.02428	2.0
91.61939	1.0
97.02946	2.2
99.04510	100.0
100.04816	1.8
101.02438	45.3
113.02458	7.5
115.00391	1.8
119.03493	1.7
121.03016	1.4
123.04537	2.4
125.02439	55.8
126.02789	1.4
131.03447	2.7
133.01399	2.8
135.04562	7.8
141.05617	1.6
142.43370	1.3
143.03484	12.5
147.04335	1.4
149.04491	1.5
149.06120	1.2
155.03473	3.1
159.04515	2.7
161.04544	7.6
173.06093	2.3
179.26050	1.2
195.06421	1.2
203.05540	9.2
221.06592	2.4
247.23277	1.0
267.06601	1.3
280.07416	1.6
287.94077	1.5
294.08905	2.6
295.09711	17.2
296.09946	1.0
339.08624	3.6
374.08994	1.2
413.83298	1.2
438.66766	1.5
457.14999	1.8
501.13904	4.4
558.29047	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	617.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.3
59.01383	100.0
61.98828	1.5
71.01383	2.8
71.20142	1.6
73.02923	1.6
83.01439	1.2
85.02951	1.7
91.78766	1.0
95.50031	1.1
101.02434	1.3
117.03464	2.7
119.04933	1.3
136.86353	1.0
145.02977	1.4
163.03989	1.3
171.10223	1.4
173.02435	2.5
174.32494	1.0
183.13904	1.9
194.83913	0.9
201.01939	90.5
202.02296	2.2
211.04005	3.0
227.07097	9.4
227.12863	1.3
243.07625	1.1
262.41837	1.0
575.01837	1.1
617.26001	1.8
617.46478	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	617.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	6.4
59.01377	62.6
61.98816	7.0
65.00298	3.1
71.01382	28.5
71.50891	2.8
73.02940	23.1
74.31353	1.8
76.13433	2.1
78.91875	2.6
83.01405	6.5
83.05010	2.2
85.02927	5.6
87.00880	2.4
89.02450	10.4
95.01431	1.9
96.96018	6.9
99.04514	7.3
101.02426	20.5
109.02921	2.5
113.02457	9.4
116.92901	4.8
119.03536	2.8
119.05023	2.8
121.02991	2.4
122.06122	2.5
125.02446	5.5
132.04558	2.6
133.02936	7.8
134.06119	2.0
135.04469	4.2
137.06082	4.2
149.02376	3.4
149.06085	5.8
150.03189	2.3
161.02487	2.1
161.04552	3.6
165.05588	2.6
167.07115	4.0
173.06042	4.2
175.00377	3.7
175.03996	6.9
176.01099	2.8
177.01871	4.0
199.03941	5.3
201.01956	6.9
205.05025	3.1
217.05014	7.9
229.13260	2.1
235.06145	6.1
240.04150	3.5
284.03131	2.3
301.11823	4.0
307.09836	2.6
309.03903	4.3
319.12943	3.4
339.08731	10.9
351.08664	38.1
362.24200	2.1
369.09738	100.0
369.22693	3.7
370.09988	6.8
412.08133	2.7
531.15179	3.5
557.33392	3.6
573.16064	91.8
573.29755	13.2
574.16504	7.0
599.24847	5.3
617.15167	4.2
617.25421	7.6
617.35193	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	617.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92841	0.5
57.03446	6.2
59.01381	10.6
61.98814	2.1
65.03977	0.6
67.43274	0.6
69.26006	5.3
71.01378	8.5
72.99297	0.8
73.02958	3.0
83.01389	0.8
83.72147	0.5
85.02945	0.7
89.02451	1.1
91.05538	3.8
93.03461	1.1
96.95995	2.0
98.19949	1.1
99.04515	8.0
101.02454	5.4
109.02932	2.5
113.02422	1.8
115.00362	7.7
116.92844	0.9
121.02951	2.8
122.03757	0.9
123.04476	0.8
125.02448	5.0
133.01434	6.9
133.02954	0.8
134.03778	1.7
135.04527	42.7
136.04831	0.9
143.03450	1.0
145.02925	2.2
146.03717	1.6
147.04498	4.3
150.03256	0.6
158.03712	1.0
159.04506	19.3
161.04520	1.4
165.05595	1.3
173.06090	8.1
179.03464	5.8
185.06096	1.5
195.06689	0.7
203.05612	0.9
204.06454	0.6
209.06070	0.6
221.06389	0.9
235.07767	0.9
239.64005	0.6
249.08998	0.8
251.07101	2.3
252.07898	0.9
253.08746	1.2
265.05069	0.7
266.05814	1.8
267.06348	0.6
273.58701	0.6
277.08701	3.5
279.06686	5.7
280.07385	10.8
293.08212	2.7
294.08969	11.6
295.09738	100.0
296.10132	6.7
339.08688	13.9
340.09024	1.0
367.62827	0.6
378.37421	0.7
457.15005	11.8
458.15302	1.1
491.17267	0.7
501.14001	17.3
502.14383	1.7
583.98688	0.7
617.26501	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	616.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03978	2.4
71.01382	13.8
71.48387	4.5
90.75166	2.6
115.00375	28.1
116.09738	3.8
133.01431	100.0
133.02443	5.1
134.03711	3.2
135.04521	22.0
139.93166	2.7
147.12457	2.9
155.43109	2.9
179.03481	25.9
216.98817	3.9
295.04514	4.1
451.60281	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	617.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16531	0.6
57.03444	2.4
59.01376	7.7
65.03951	0.6
71.01376	6.5
72.99334	0.7
73.02934	1.9
85.02947	1.0
89.02441	1.5
91.05537	5.3
93.03452	0.9
96.28042	0.6
96.53394	0.5
96.96000	0.6
99.04520	2.7
101.02422	2.4
105.83788	0.5
109.02936	3.4
113.02445	1.5
115.00368	7.9
117.07092	0.5
119.03500	1.4
121.02920	3.2
122.03735	1.4
123.04528	1.1
125.02451	1.2
133.01424	5.8
133.02980	0.7
134.03751	1.4
135.04515	41.7
136.04820	1.1
143.03476	0.7
145.02933	2.4
146.03682	1.5
147.04504	4.2
150.03239	1.0
158.03732	1.2
159.04506	19.5
165.05588	0.7
172.05269	0.8
173.06068	7.5
179.03481	4.2
179.05602	0.6
195.06615	0.9
213.96504	0.5
223.07666	0.7
225.09329	0.9
235.07538	0.8
249.09041	0.8
251.07092	2.3
252.07855	1.3
253.08727	1.7
264.65381	0.5
265.05148	1.0
265.08578	0.7
266.05847	2.1
267.06635	1.0
267.10254	0.7
277.08575	4.5
278.09186	0.6
279.06607	5.5
280.07352	10.1
293.08041	3.0
294.08932	10.3
295.09723	100.0
296.10046	5.8
298.65668	0.5
314.03171	0.5
339.08701	19.8
340.09146	0.9
382.97742	0.6
457.14984	8.2
501.13919	19.6
502.14450	1.8
584.25464	0.6
617.25427	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14220	1.3
59.01381	26.2
59.11290	1.5
67.71778	1.4
71.01376	10.8
73.02939	12.2
77.74165	1.4
82.71003	1.3
83.01395	5.9
85.02975	1.4
87.00859	3.4
98.20642	4.1
99.00875	4.7
100.01670	4.2
101.02445	11.3
111.00856	12.9
113.02469	4.5
113.99586	47.1
115.00381	20.0
125.02433	1.9
128.01175	3.7
139.00368	3.3
150.99033	1.7
156.00647	51.1
156.01898	3.2
157.01419	3.9
161.04512	2.5
174.01689	100.0
175.02386	5.5
177.78464	1.5
192.04031	1.5
200.70958	1.5
287.16556	5.7
471.22354	2.2
511.21558	10.6
609.62805	1.9
623.20691	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	615.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61700	1.8
56.22138	1.8
57.03447	60.0
58.10841	2.0
59.01379	100.0
71.01379	14.7
73.02951	16.0
79.95690	2.4
81.03449	4.1
82.95403	8.0
83.01383	5.8
85.02930	4.4
86.48756	1.9
87.92796	1.9
89.02435	3.4
96.96007	66.0
99.04517	98.6
100.04852	2.6
101.02444	28.3
108.55294	1.9
113.02425	6.9
119.03487	3.1
125.02442	52.4
133.01326	1.9
143.03502	7.3
149.04526	3.6
153.09213	4.4
161.04549	6.7
169.07101	1.9
173.17418	1.9
174.01663	8.9
203.05597	5.0
205.12419	9.1
279.60199	2.0
367.17499	9.6
391.36679	2.0
409.18484	5.5
427.19623	10.4
469.21069	2.1
557.50238	2.0
571.24127	2.5
615.34668	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	613.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02178	7.5
59.01372	61.8
59.29760	8.6
61.98812	35.5
69.40951	8.5
69.60744	41.2
71.01372	55.5
79.97557	8.6
87.00864	11.5
89.02441	31.4
96.95985	26.4
101.02425	33.0
113.02426	17.6
115.00362	63.6
119.03487	17.8
121.26437	8.4
133.01437	86.1
134.03705	21.1
135.04520	80.0
137.02507	9.8
149.02425	8.6
150.03198	23.7
151.20663	8.6
154.99533	8.8
158.46420	8.7
165.05540	21.3
179.03493	66.3
189.01830	12.3
195.06558	15.4
201.01653	57.0
273.03540	12.2
283.14581	9.1
286.63525	10.4
289.07184	8.9
317.02817	63.6
320.34750	8.5
323.13419	100.0
456.14670	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	613.2303
Annotation	C11829
Peak:m/z	Relative Intensity
57.65675	0.4
71.50045	0.5
73.02937	1.3
79.27237	0.4
84.25069	0.4
189.12280	0.5
193.80008	0.5
260.81314	0.4
452.14792	0.5
455.17355	1.8
466.16364	1.4
467.17136	8.7
468.17307	1.5
469.22223	0.6
473.18372	1.8
481.18756	11.6
482.19440	2.8
484.13150	0.5
493.22717	0.9
494.15213	0.8
495.20367	0.7
497.11230	0.5
498.15726	2.1
504.17911	0.5
507.16699	0.8
509.17914	0.8
509.22595	0.5
512.12830	3.6
519.20044	0.9
521.18225	2.5
522.19019	3.6
526.15076	2.5
527.15125	0.5
537.21417	45.9
538.21625	8.0
540.19867	0.6
541.20856	1.2
554.18097	2.1
558.17731	3.1
572.19501	2.4
573.19202	0.5
581.20355	7.9
582.20624	1.6
599.17798	0.6
613.23035	100.0
614.22766	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	615.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	10.1
59.01383	55.7
61.98840	8.4
70.90821	1.8
71.01385	20.8
71.50224	2.1
72.99293	2.2
73.02951	19.0
83.01389	5.2
85.02943	4.7
87.00877	3.4
89.02442	6.4
93.03433	2.3
96.95987	5.6
97.02976	2.3
99.00868	5.2
99.04527	17.4
101.02451	21.6
109.02956	2.4
111.00912	4.0
113.02458	9.2
113.99595	100.0
115.00397	36.7
116.92863	9.3
119.03531	2.3
120.04549	1.8
121.02927	2.2
122.03677	1.9
125.02456	9.9
126.95012	1.9
131.03546	2.7
134.03728	13.3
135.04486	3.6
137.02449	5.2
139.03973	2.6
149.02327	1.8
149.04561	3.3
149.06081	4.5
150.03209	9.2
151.00345	2.9
151.03943	3.7
161.04581	5.7
163.00371	4.8
165.01907	7.5
165.05554	4.3
166.02702	3.4
174.01698	7.8
175.02562	2.4
178.02686	9.1
179.03404	3.4
180.04279	5.0
181.05061	5.1
192.04089	2.1
193.05066	22.0
195.06587	7.8
205.12424	3.9
207.06651	2.3
225.07666	2.9
271.02484	4.7
283.02438	3.0
287.16547	3.5
292.02707	2.4
300.02805	4.2
301.03467	4.8
308.13757	1.7
312.02759	4.2
367.20929	1.9
460.58832	3.1
461.08841	5.4
511.21893	11.2
567.22656	3.3
571.24182	2.2
615.14227	9.5
615.23926	5.2
615.64850	4.8
616.23792	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	613.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35254	0.9
55.29590	0.9
57.29836	0.8
57.97670	1.0
61.84424	0.8
63.05849	0.9
63.98920	0.8
66.81615	0.8
71.01382	24.9
71.01781	1.3
71.49255	1.1
71.81459	0.7
72.98949	0.7
72.99278	4.5
81.13988	0.9
85.61655	0.9
89.02448	1.7
96.96009	2.0
104.36571	0.9
107.05020	1.4
115.00371	50.1
116.00704	1.9
117.03509	1.0
121.02989	1.8
133.01427	100.0
133.03012	4.7
134.01775	2.0
134.03751	18.3
135.04524	86.8
136.04817	2.4
136.98558	8.5
154.99622	7.6
161.02448	12.3
175.02492	11.0
179.03497	73.7
180.03873	1.6
181.26999	0.9
185.04628	2.0
189.01685	13.2
198.85864	1.0
201.01709	86.9
202.02080	3.2
219.01443	12.1
229.03511	4.5
271.00668	2.8
273.02740	15.3
275.00476	1.4
289.01865	2.0
295.04565	5.7
317.02774	76.5
318.03046	3.5
335.03528	2.8
345.04648	11.1
346.04871	1.0
369.22922	1.1
381.04587	3.2
389.03638	3.9
433.03152	2.8
434.52890	0.9
451.04819	6.8
453.06564	5.4
497.05591	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	613.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	24.3
59.01383	13.1
61.98833	3.9
69.48592	1.3
69.48907	5.0
71.01390	7.8
73.02942	2.8
79.52792	0.7
83.01400	1.0
83.05034	1.1
83.85595	0.7
85.02951	3.4
87.00874	1.1
89.02440	2.6
92.08435	0.8
93.03455	49.7
95.01405	1.1
96.96011	2.0
99.04521	10.4
101.02437	6.8
113.02451	6.9
119.03515	0.9
125.02457	5.7
128.03514	0.9
134.06122	1.0
137.02443	100.0
138.02797	1.7
143.04576	1.5
155.10837	0.7
161.04588	1.3
203.03491	0.7
224.50453	0.9
227.07173	1.7
306.07608	2.0
407.13376	1.5
425.14508	12.4
467.15582	2.0
549.18243	0.8
553.30249	0.8
569.24719	0.9
595.22119	1.2
611.74615	0.9
613.12634	1.0
613.22961	2.5
613.38922	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	613.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01122	0.4
59.01378	6.0
61.96081	0.3
61.98809	1.2
64.24085	0.3
69.03448	0.3
69.73919	0.3
70.46607	0.2
71.01042	0.3
71.01382	2.9
71.50880	0.4
72.99284	0.4
73.02919	0.8
75.00845	1.3
81.23365	0.3
83.01371	0.6
85.02942	1.3
88.98796	0.8
89.02454	1.4
96.96009	0.9
101.02428	1.4
112.98532	0.3
113.02412	1.4
116.92828	0.4
119.03474	0.4
121.02973	1.7
123.04482	0.4
130.99832	0.3
134.03737	0.7
135.04530	1.8
147.04482	0.6
149.02431	8.2
149.06071	0.3
150.03215	0.4
152.01198	0.3
159.04362	0.3
161.02513	0.4
162.03267	0.4
163.04008	3.5
164.04793	7.7
165.01936	0.6
165.05585	1.4
166.02753	0.4
173.02478	0.8
175.00317	0.9
176.01233	0.6
177.01912	0.7
177.05540	0.9
178.06291	0.4
179.03436	0.7
179.07108	1.6
180.04234	0.4
187.04001	0.4
188.04752	0.8
190.02701	2.9
191.03470	3.1
193.01366	0.6
195.06613	0.4
199.07591	0.5
203.07014	0.6
205.05013	3.3
206.05833	5.0
207.03015	2.0
207.06238	0.4
208.03738	1.4
211.03983	38.9
212.04504	2.5
221.08153	5.7
222.05240	0.8
222.08528	0.3
223.06100	10.0
225.05542	1.0
227.07117	100.0
228.07455	4.0
235.02444	0.6
237.07689	2.7
247.06027	0.4
250.04816	2.2
265.07135	13.6
266.07553	0.6
295.08255	2.6
319.17044	0.3
325.09259	3.4
407.13437	12.7
408.13812	0.8
443.68039	0.3
612.36682	0.8
613.19067	7.8
613.32690	0.5
614.19513	1.1
617.65363	0.3
627.27399	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16100	1.4
58.21283	1.4
59.01376	16.5
61.98830	8.1
65.51537	1.3
71.01375	6.5
71.05820	3.2
73.02927	2.6
74.02469	13.9
76.79391	1.4
83.02496	4.4
84.00917	1.7
85.02921	1.9
89.02420	2.4
95.02519	3.3
96.96000	1.5
97.04077	6.9
99.02010	2.0
99.05630	2.9
100.00402	3.5
101.02425	3.1
112.02731	1.7
113.02448	4.2
113.03585	13.5
116.05047	12.2
118.10341	1.3
119.03429	1.5
123.02094	1.5
123.03119	1.5
125.03548	6.4
127.05109	2.7
135.04460	1.7
136.05241	1.7
142.06589	5.8
146.06078	1.5
149.06046	6.6
154.06218	5.6
158.06088	1.7
161.06049	5.2
162.06831	6.0
166.06213	4.9
170.03336	4.5
171.04120	5.3
185.07188	2.5
186.07968	2.1
187.08659	2.4
199.08694	4.2
200.04141	1.6
215.08224	6.3
215.90379	1.5
229.09773	2.9
242.09129	2.1
246.12466	3.5
258.12497	8.7
263.09552	5.2
270.12433	4.4
276.10229	1.7
277.11078	1.8
278.11850	26.3
279.11823	1.5
290.11414	2.9
301.03534	1.3
302.11526	4.5
316.06741	1.4
387.18207	3.0
499.45804	1.8
524.21838	5.7
581.24011	61.7
582.23920	8.4
611.25012	100.0
611.36218	5.3
612.25488	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	611.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82093	4.1
57.03450	98.6
59.01382	99.4
59.95331	3.9
61.98826	9.9
70.06979	20.1
70.07267	5.1
70.92609	3.6
71.01381	8.0
71.98278	3.9
81.03487	4.8
88.23502	4.0
94.37048	4.5
99.03918	7.2
99.04519	100.0
101.02447	17.4
122.66998	4.5
125.02441	34.5
141.06236	4.0
195.62253	4.4
331.80991	4.3
521.27026	4.3
611.34119	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	611.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88159	3.0
57.70852	2.9
59.66426	2.7
59.69519	2.8
60.89222	2.8
62.24466	3.0
63.09016	2.9
63.52860	3.1
69.66544	19.3
71.01373	14.2
72.99287	3.5
98.31068	3.8
105.03442	6.1
112.25504	3.1
114.02769	3.1
115.00364	37.6
126.56290	2.9
133.00475	7.0
133.01430	100.0
133.02948	36.5
134.03711	4.6
135.04520	31.0
177.01884	16.3
179.03479	29.9
201.01715	14.3
202.32896	3.2
206.94435	3.0
250.69379	3.4
277.04346	3.8
287.35129	3.5
295.04758	3.9
317.02576	9.0
354.18701	3.5
518.41168	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	611.2503
Annotation	Karajinone B
Peak:m/z	Relative Intensity
53.24740	2.3
56.04513	1.6
57.03471	1.6
58.58611	1.6
59.01371	10.1
61.98829	7.7
76.30331	1.9
81.25999	1.6
98.19852	3.9
113.68217	1.7
114.67582	1.8
120.08201	2.1
121.05280	2.7
122.06130	13.7
134.06085	5.8
160.06477	9.0
213.10310	28.7
214.10788	2.6
215.11890	14.4
216.12227	2.0
226.11089	4.2
239.11913	17.2
241.13408	16.3
267.11435	3.1
285.12442	100.0
286.12686	8.3
293.13153	2.1
296.11923	2.3
325.11951	7.0
342.08450	2.3
418.97961	2.2
449.16077	4.3
463.17838	7.4
464.18655	4.2
465.18771	2.9
467.24631	2.3
477.19290	2.4
478.19742	5.3
479.20908	11.3
491.24380	5.9
493.22424	26.6
494.23123	5.5
535.23492	64.9
536.24030	8.9
538.22284	17.2
579.22430	23.3
580.22949	3.7
611.15485	3.5
611.24823	15.1
612.25116	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	611.2507
Annotation	Scuterulein B
Peak:m/z	Relative Intensity
51.30060	2.4
52.91624	2.4
56.59914	2.5
59.20052	2.1
59.26079	2.4
59.54916	2.9
78.38528	2.8
78.95901	10.5
99.45358	2.7
152.99606	4.9
158.06155	6.9
176.10829	5.5
186.05560	5.5
197.07213	4.7
198.89638	2.8
216.10283	7.6
237.13919	5.4
239.15543	4.9
246.07660	5.6
251.15579	2.9
255.23302	8.9
262.13492	7.6
264.07275	3.1
275.11877	5.1
282.25107	3.1
293.16455	3.1
300.26877	2.9
307.18292	5.6
308.17896	5.3
315.62000	2.8
323.85168	2.7
327.67532	2.7
374.90244	2.9
407.19684	3.0
422.22287	8.1
433.20596	3.8
434.20837	12.5
435.22180	6.0
446.24976	3.1
447.17297	3.2
448.23145	3.6
449.23431	39.6
450.23282	3.7
458.21094	5.1
461.19659	3.1
463.25034	3.9
464.23138	30.8
465.23242	4.1
466.21765	3.1
473.23422	35.6
474.23642	4.6
475.21448	5.2
476.21997	8.3
491.24503	100.0
492.24643	9.2
493.22391	7.2
496.25928	4.7
498.24329	4.0
505.26340	15.4
507.24219	5.4
509.22073	3.6
510.30051	4.1
523.26984	18.1
535.23236	14.6
567.26086	24.8
568.26129	3.8
611.24139	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	609.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21594	1.1
54.73170	1.0
59.01385	5.4
59.57816	1.0
59.99114	1.1
65.23750	1.2
69.72769	2.9
69.73162	2.2
95.05025	3.3
98.20689	1.2
109.06571	1.3
121.10237	28.0
141.12814	1.5
149.09747	1.2
171.10287	68.3
172.10587	1.4
177.16513	2.2
185.11852	2.8
207.09979	2.8
231.21219	5.2
233.11610	1.4
255.02898	1.5
271.02518	5.7
275.20157	91.2
276.20490	6.0
278.11346	9.6
293.21252	100.0
294.21542	3.8
297.18362	2.1
298.37936	1.2
300.02713	7.0
301.03510	1.7
304.35233	1.1
313.17950	1.8
315.19434	53.4
316.19763	2.1
329.17505	1.3
359.18454	9.8
609.14526	7.7
609.41376	95.5
610.15198	1.5
610.41577	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	609.5098
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13076	1.2
53.76038	1.1
61.98828	1.9
69.67115	5.6
70.98104	1.1
82.66593	1.2
88.74035	1.3
89.10203	1.1
98.19991	2.4
115.27831	1.2
125.98788	1.3
127.14153	1.2
134.86499	1.2
186.88959	1.2
233.71251	1.2
271.02399	1.7
279.23236	4.2
300.02692	3.2
421.23096	2.3
431.21985	3.0
432.22769	6.0
433.23138	11.6
434.23553	2.2
445.23413	4.1
446.24591	5.8
447.25104	7.0
448.25711	2.8
449.26059	4.1
457.19458	1.5
458.20422	2.7
459.25336	2.6
460.22681	2.7
461.18646	3.8
461.25851	3.8
462.23575	22.1
463.23547	1.6
472.22440	9.9
473.22733	16.7
474.23425	25.7
475.20981	5.6
475.25305	3.3
476.21472	13.6
477.21683	4.4
477.25558	18.5
478.26614	2.2
487.24911	16.2
488.25266	19.3
489.25662	92.2
490.25970	5.8
500.20596	1.4
502.20413	2.2
503.20459	4.8
504.20575	18.3
506.26065	6.3
515.23999	7.2
520.26892	1.3
521.27966	11.5
531.24036	9.5
532.24292	15.1
533.24603	100.0
534.24921	7.8
536.23633	5.6
537.27557	1.7
547.26074	6.0
549.24231	5.1
550.24939	13.5
551.25128	1.8
564.26935	1.9
565.27246	23.4
566.27222	2.1
577.23553	2.4
581.26855	2.4
609.15717	2.0
609.26147	19.0
610.25616	1.6
615.98413	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.6
57.03442	4.7
59.01379	88.8
61.98846	9.6
62.17721	1.8
65.99918	2.0
66.96371	1.9
69.03462	1.8
69.78537	10.2
71.01386	29.9
72.99307	2.8
73.02950	12.1
75.00873	4.2
83.01393	5.6
85.02953	12.7
87.00862	4.3
88.98803	3.4
89.02443	8.1
91.55802	1.5
95.01408	2.2
96.96016	3.3
98.20648	2.1
99.04536	2.6
101.02434	16.5
113.02447	17.6
119.03524	2.0
119.59119	1.7
121.56087	2.1
125.02432	2.8
135.04494	2.1
151.00354	3.7
155.10860	1.8
159.04495	6.2
161.04559	5.5
163.00325	1.8
199.04042	2.3
224.23059	1.6
243.02983	5.8
249.88901	1.8
255.02888	11.9
259.06070	1.8
271.02484	26.9
272.02863	2.9
275.87384	2.1
300.02722	38.8
301.03473	16.6
302.04031	2.0
361.25723	3.1
361.29745	12.0
447.10864	3.2
465.26804	2.5
505.33844	100.0
506.34305	9.9
523.34747	22.4
549.30682	2.0
565.32141	5.3
609.14636	39.8
609.34967	8.9
610.15277	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	609.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54342	2.1
57.03436	2.2
59.01377	29.8
61.98817	4.1
69.03445	4.4
69.70234	5.9
69.70648	6.4
71.01381	25.0
72.99307	5.9
73.02930	6.2
75.00877	19.4
81.03459	2.7
83.01395	2.4
85.02956	19.3
87.00867	8.5
89.02448	10.6
93.03429	2.6
95.01391	6.6
96.96011	2.3
99.00864	20.9
101.02409	6.7
108.02181	2.6
109.02939	3.7
113.02445	16.6
115.00352	8.5
120.04516	1.8
124.05022	2.1
125.02440	3.9
127.01331	2.1
129.01918	3.1
133.01410	8.2
135.04514	6.2
151.00369	3.4
151.70308	1.9
152.01118	5.4
153.01466	2.8
153.09206	40.5
155.10757	8.5
157.01476	3.6
161.04489	3.1
162.05685	2.3
163.04001	4.0
165.01955	6.2
167.03525	12.4
168.03902	4.4
177.62529	2.0
179.03490	2.1
179.07051	2.0
180.04143	3.9
183.13966	2.2
191.05568	2.6
195.06531	5.8
197.08142	4.4
199.09744	9.6
211.13370	20.0
218.87720	2.0
218.99957	1.9
225.07651	3.4
231.05061	3.2
249.06152	18.8
261.23239	2.1
267.07050	4.4
271.02386	2.9
300.02634	4.6
327.05188	3.9
361.14966	4.6
385.15039	5.8
397.13477	10.0
403.15918	5.3
415.14496	6.1
429.14011	23.0
447.15042	100.0
448.15109	5.1
454.58438	4.8
489.15976	5.7
549.17786	3.2
549.25775	3.2
565.28387	2.6
609.21259	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.8
59.01376	100.0
61.98828	3.5
65.00311	2.4
66.78548	3.1
69.07050	2.1
69.39091	4.8
69.39495	13.3
69.81901	2.6
71.01379	30.3
73.02956	11.7
75.00868	5.4
83.01380	3.1
83.01852	2.5
85.02953	13.7
87.00880	5.4
88.98782	3.1
89.02435	11.5
95.01368	2.5
101.02447	17.2
113.02422	18.7
119.03446	4.4
125.02439	3.9
130.04288	11.8
131.05090	2.7
143.03392	2.7
149.06062	6.4
151.00345	6.5
151.01479	2.3
159.04494	69.0
159.05804	4.4
160.04782	4.3
161.04547	5.3
163.00319	3.6
171.04433	4.0
178.99750	4.0
183.13992	2.5
199.03976	10.2
199.07672	4.7
200.04079	2.7
201.02023	4.2
203.03423	12.7
211.07674	3.2
211.13393	25.1
217.08740	2.5
243.02962	4.3
255.02908	15.5
257.08078	5.0
271.02496	22.5
300.02719	38.8
301.03479	18.9
331.09659	8.6
349.10770	12.9
357.11099	2.9
359.27881	2.4
361.29620	11.3
385.10913	3.8
397.13333	8.5
403.11859	8.7
414.09253	2.9
415.14688	4.9
447.10791	89.4
448.10953	7.9
505.33759	79.6
506.33914	4.8
507.27704	3.7
523.34808	20.9
565.35565	5.5
609.14941	57.3
609.35132	11.5
610.14655	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	609.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95084	0.6
57.03443	1.4
59.01377	12.4
59.90223	0.6
61.98831	3.7
71.01377	5.3
71.50949	1.0
73.02939	1.2
83.01382	1.0
83.67517	0.6
84.25046	0.6
85.02937	2.8
87.00865	2.4
88.98790	1.1
89.02441	1.7
90.88234	0.6
96.99324	1.8
101.02424	3.0
103.05550	2.4
107.05018	0.6
111.00907	0.6
111.19830	0.6
113.02465	2.7
123.04502	0.8
125.02470	1.0
130.04228	10.5
130.13754	0.7
131.04990	1.2
133.02925	3.7
137.09711	0.8
143.03448	1.0
143.05022	0.9
149.06039	4.7
151.00398	1.3
155.05035	2.3
155.10812	1.3
157.02919	1.3
159.04501	85.4
160.04868	2.6
161.04547	0.9
171.04494	4.7
171.85017	0.6
172.05238	0.8
173.02434	1.1
173.06026	5.3
178.99872	1.2
184.05247	1.1
197.06070	1.8
199.03990	10.7
199.07642	17.0
200.07916	0.7
203.03481	16.2
211.07581	4.2
213.05620	1.3
225.05598	0.7
227.07217	0.9
239.07127	8.5
243.02965	1.0
243.06612	2.2
255.02951	4.3
257.08057	0.7
258.08417	1.2
271.02441	7.2
300.02762	10.2
301.03510	3.9
303.10178	0.8
313.08710	2.6
326.09500	0.9
331.09708	30.9
332.10089	2.1
339.10126	4.6
341.11755	3.3
359.12888	0.9
367.09409	1.5
370.08487	1.5
385.10748	11.2
403.11661	1.0
429.09729	100.0
430.10144	7.1
489.33984	1.5
494.48608	0.6
505.33899	1.8
591.15015	30.2
592.15399	2.5
609.15216	16.1
609.26105	2.4
609.37518	1.2
610.15417	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	609.1452
Annotation	Rutine
Peak:m/z	Relative Intensity
55.96464	0.7
56.49861	0.5
65.00318	0.6
69.17371	4.8
69.17788	2.0
73.43665	0.6
83.01383	0.7
87.08104	0.6
107.01392	2.4
109.02960	1.6
115.63994	0.6
121.02937	1.0
135.00917	0.8
148.01595	0.7
151.00356	11.3
158.74658	0.6
159.63065	0.6
163.00339	1.8
178.99852	5.9
211.04019	1.0
227.03532	1.7
243.02968	5.9
244.03642	0.7
245.04515	0.7
247.46361	0.7
254.02208	1.5
255.02950	17.3
271.02451	34.7
272.03033	3.3
273.04010	1.0
283.02527	1.4
299.01813	0.8
300.02719	100.0
301.03458	40.3
301.08578	0.9
302.03799	2.3
369.60110	0.7
476.95529	0.7
550.92004	0.6
609.14520	96.9
610.14832	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01901	0.6
57.03434	0.7
59.01380	12.5
61.98829	2.9
69.54350	4.8
71.01384	5.8
73.02951	1.5
74.08759	0.7
75.75495	0.6
82.35675	0.7
83.01394	0.7
85.02961	2.9
87.00883	2.1
89.02452	2.0
96.99331	1.8
97.02988	0.7
99.04508	1.1
101.02467	2.9
101.57571	0.6
103.05540	2.5
107.01418	0.8
113.02448	3.2
115.00382	0.7
123.04533	0.9
130.04247	12.4
131.05037	1.1
133.02933	4.0
137.09752	1.2
138.45001	0.7
138.73279	0.8
143.05075	1.0
149.06046	4.3
151.00383	0.9
155.05074	1.3
155.10828	1.7
157.02953	2.4
159.04523	96.4
160.04837	2.6
171.04536	5.3
172.05305	1.2
173.06082	6.3
182.42868	0.7
184.05312	1.2
197.06084	1.9
198.06903	1.5
199.04007	12.2
199.07661	19.2
203.03516	16.4
211.07700	6.4
213.05692	0.9
239.07156	9.0
243.03087	1.3
243.06618	1.8
245.04597	0.7
254.02267	0.9
255.03001	3.1
257.08328	1.0
258.08539	1.0
271.02454	8.4
282.64722	1.0
300.02753	12.6
301.03439	5.3
313.08832	3.7
329.08044	0.7
331.09781	34.2
332.10056	2.2
339.10229	4.1
341.11899	2.9
355.09747	1.0
357.11453	1.2
359.12698	1.5
370.08215	1.6
385.10834	10.9
386.26343	0.7
403.11829	1.2
429.09784	100.0
430.10126	6.9
489.34125	0.8
591.15100	31.1
592.15405	2.5
609.15198	16.9
609.25348	1.2
609.36115	1.6
610.15692	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.8
59.01385	4.7
69.10696	0.7
69.71661	1.6
69.72070	2.9
71.01360	1.7
73.02947	1.2
98.19937	1.6
101.02448	1.6
139.28380	0.7
169.08755	0.7
234.90036	0.8
313.23691	5.4
341.26959	4.2
359.28012	100.0
360.28384	6.9
370.98761	0.7
373.29520	1.8
401.29498	1.6
563.33673	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	608.147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.5
60.20505	1.0
61.98824	4.0
66.41064	1.1
69.33382	3.6
69.33801	4.7
71.01402	1.1
75.63955	1.1
87.00874	1.1
98.19951	2.2
99.05621	1.2
103.10113	1.0
108.02171	20.4
123.04544	10.5
128.03526	2.4
133.01425	1.7
143.04608	2.1
146.69415	1.1
152.01154	53.4
153.01468	2.0
155.10782	3.3
167.03493	100.0
168.03841	3.5
182.16438	1.1
199.09726	2.3
271.02585	1.5
281.75018	1.3
300.02719	3.6
306.07721	9.3
347.00623	1.4
501.16116	2.3
609.14801	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	608.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.5
59.01382	2.4
60.68370	0.4
61.98829	100.0
71.01391	0.6
71.50493	0.5
80.65369	0.4
96.77467	0.4
101.31933	0.4
115.92088	1.0
116.92145	0.5
116.92855	1.9
117.92911	1.2
151.00319	0.5
213.04491	0.4
243.03131	0.5
255.03136	1.3
271.02283	2.1
300.02740	3.4
301.03494	0.8
361.30167	0.4
609.14557	3.4
634.74158	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54200	2.5
56.03835	2.5
59.01379	61.1
59.46897	2.8
61.98827	100.0
71.01376	16.3
71.20598	6.8
72.99316	3.3
73.02943	80.3
83.01398	3.0
85.02963	5.3
89.02448	6.5
91.26661	2.7
96.19669	2.6
101.02444	10.8
107.51204	3.0
113.02451	7.9
114.08083	2.5
121.02943	3.8
128.45221	2.8
131.04996	3.2
185.98921	2.8
241.01193	2.9
256.37024	2.7
299.01987	7.5
447.30252	3.7
522.90973	3.1
563.34253	87.4
564.34589	12.4
569.18079	5.4
607.13123	4.5
607.35687	5.3
608.12018	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	607.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.3
58.28035	0.5
59.01376	8.4
59.31923	0.5
61.98829	0.7
67.60997	0.6
70.22070	1.2
71.01379	2.9
73.02927	1.2
85.02946	1.4
89.02422	1.3
91.81310	0.5
92.43485	0.5
99.00863	1.1
101.02440	1.1
113.02473	1.0
125.02416	0.7
137.09813	0.5
149.04498	0.7
151.00336	0.6
220.79335	0.6
295.13333	1.3
311.25754	0.6
313.23782	5.8
341.26926	3.6
342.27023	0.8
357.26401	1.2
359.28012	100.0
360.28445	7.1
373.29559	1.5
384.22092	0.6
401.29330	2.0
445.24451	0.5
486.74292	0.6
549.22839	0.7
563.34375	1.8
607.13507	0.6
607.23248	0.8
609.58252	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	1.2
59.01375	20.6
62.11134	0.9
66.84380	0.8
69.84952	4.2
69.85339	1.8
69.97386	0.8
71.01376	9.0
73.02943	3.9
83.01395	1.3
84.83812	0.9
85.02940	4.1
87.00880	2.3
89.02436	2.5
95.01361	1.2
101.02464	4.5
113.02403	2.2
119.03511	0.9
168.15480	0.9
170.06921	0.8
261.53391	0.9
291.73807	1.0
311.22162	1.0
313.23746	3.2
341.26859	4.0
359.27985	20.6
360.28177	1.5
503.32114	7.2
504.32675	1.2
513.06122	1.0
521.33270	21.3
522.34302	2.0
563.34314	100.0
564.34723	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	607.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	3.5
59.01377	31.7
61.98835	2.3
69.71571	3.6
69.71987	6.9
71.01384	11.7
73.02953	8.5
83.01390	2.5
85.02948	4.8
87.00893	3.1
89.02440	3.9
98.20543	3.1
101.02444	8.9
113.02424	3.3
119.03445	1.7
119.83474	1.5
136.37622	1.7
203.29134	1.8
269.08127	2.9
270.08459	3.3
311.26056	3.2
313.23886	6.0
341.26910	23.5
342.26877	1.8
359.28009	100.0
360.28244	6.0
373.29501	4.7
401.29190	2.2
503.32416	8.2
518.03870	2.1
521.33368	17.2
563.34320	85.7
564.34607	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45508	0.4
57.03447	100.0
58.03791	0.9
59.01378	42.0
61.98832	0.5
70.70536	0.9
70.70887	0.7
71.01382	3.2
73.02945	4.8
81.03455	3.7
83.01392	1.1
87.04512	7.2
97.02938	0.8
98.08511	0.4
99.04516	87.4
100.04843	1.6
101.02440	13.8
105.42634	0.4
105.67721	0.4
121.02929	1.2
123.04507	1.7
125.02438	43.9
126.02795	1.1
132.05795	2.0
143.03487	1.7
148.04256	0.4
158.03577	0.4
159.04504	0.7
160.05298	0.6
161.04506	0.6
161.09665	0.5
164.04765	0.9
169.06529	1.0
170.07330	1.3
172.05309	0.6
174.06689	0.6
185.05994	1.1
185.09686	3.5
187.11237	1.7
189.09155	1.7
199.07634	1.9
200.08339	1.3
215.10741	3.1
226.04985	0.4
233.44160	0.5
241.08752	0.8
259.09732	37.7
260.10104	2.2
273.11349	2.4
301.10599	1.1
326.14905	0.5
406.12183	1.0
435.01508	0.5
540.33539	0.4
556.01123	0.4
560.17670	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27629	2.4
57.03429	5.8
57.19562	2.5
58.39600	2.7
58.46924	3.0
59.01376	36.4
60.05183	2.9
69.14434	29.4
69.70832	2.7
70.47116	2.7
71.01385	14.3
71.11468	3.1
73.02940	7.0
85.02962	5.7
89.02431	6.4
96.95995	16.7
99.04523	5.8
101.02457	6.2
115.00350	4.7
121.02953	7.0
133.01410	7.7
135.04463	6.4
136.69766	2.8
147.04530	4.6
212.08170	3.3
224.50732	2.6
241.01410	3.8
269.08145	22.5
270.01733	5.9
271.02365	4.1
281.08081	5.3
283.09769	12.7
299.01984	9.1
299.09128	19.4
300.09555	2.9
308.03278	3.3
311.09204	26.8
314.11627	38.0
315.11887	3.7
325.10599	4.3
326.11536	24.9
329.13928	100.0
330.14349	7.3
331.11685	5.0
341.13882	49.4
342.14206	3.2
567.07172	3.0
607.14246	10.3
607.33466	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.256
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
59.72852	1.6
69.26971	14.5
93.03058	1.8
98.20631	2.8
179.01955	1.9
191.88614	1.7
430.21542	3.3
431.22549	15.0
432.23178	3.3
443.22464	2.1
444.15552	1.9
444.23480	3.6
445.23782	7.7
446.24872	2.4
447.25534	7.9
456.19855	2.1
459.17834	2.7
459.25452	5.1
460.22983	25.4
461.23248	2.4
461.63922	1.8
471.21915	9.3
472.22742	30.2
473.23105	2.7
474.20282	12.3
475.20233	6.9
475.24942	19.5
476.25211	2.1
487.25043	94.6
488.25421	10.1
489.23044	1.8
502.20233	21.7
504.25128	5.7
513.22992	5.5
519.26935	9.0
520.24603	2.8
530.23077	2.3
531.23993	100.0
532.24554	11.7
534.22687	5.3
545.25256	4.5
548.24426	12.5
549.24280	2.4
563.26538	21.8
564.26483	3.5
607.25629	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	607.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23845	2.1
54.02457	2.2
56.56432	2.6
70.09429	9.2
84.58907	2.0
419.22351	3.2
430.21640	3.4
431.22241	17.3
432.22849	3.2
444.23306	5.5
445.24048	11.8
447.25565	3.4
457.20154	4.7
459.17355	3.9
459.25467	8.4
460.23553	24.9
471.21582	5.8
472.22684	30.4
473.23141	3.5
474.20389	19.8
475.21268	31.4
475.25909	10.2
476.21677	4.7
485.23941	2.8
487.25055	85.4
488.25293	10.3
498.20358	3.7
502.20099	27.1
504.25204	12.1
513.22723	7.7
516.21722	3.5
519.27234	14.4
531.24054	100.0
532.24524	12.5
534.22534	22.4
545.25500	7.9
547.23407	9.5
548.24500	11.9
563.26752	24.7
564.27295	3.0
565.74194	2.6
607.25623	63.3
608.25793	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	607.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	9.0
59.01375	100.0
61.98824	11.8
69.33531	31.2
71.01377	46.7
72.99299	3.8
73.02946	45.4
79.67557	4.0
83.01367	9.4
85.02943	9.7
88.98772	7.7
89.02431	14.0
96.96023	6.3
99.04517	6.8
101.02430	33.0
113.02420	16.3
115.00359	20.4
116.92814	10.7
119.03461	5.7
125.02406	4.4
133.01414	16.0
134.46529	4.3
134.77457	4.4
135.04495	14.6
136.01671	10.6
151.00368	5.0
151.04002	20.3
160.05283	9.0
161.02365	7.3
161.04520	8.5
165.04372	4.2
175.07640	8.3
177.01953	5.0
178.98291	4.1
179.03510	9.4
187.04034	4.8
193.05020	7.4
194.05849	8.5
203.03499	7.7
207.02972	5.1
209.08145	13.3
213.09229	32.6
217.05043	6.2
218.05826	5.8
233.08118	10.5
241.01239	6.7
242.01926	3.8
255.02913	17.2
270.01599	7.3
271.02652	5.5
283.02454	12.9
284.03232	46.6
287.12863	18.3
299.02200	9.5
299.05569	69.4
310.13510	5.1
331.11899	28.5
341.13846	13.6
355.11859	23.8
367.11697	7.9
385.12924	6.5
403.13937	6.7
435.05182	4.8
443.09766	4.8
563.30121	8.7
602.29633	4.9
607.17938	44.3
607.30072	7.4
628.09619	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	607.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57998	5.8
55.66119	6.4
57.03443	12.2
59.01377	100.0
61.98832	14.0
71.01390	44.7
72.99311	6.3
73.02966	24.8
85.02957	17.5
87.00921	6.4
88.98798	6.8
94.05436	6.1
96.96005	41.3
98.20647	17.3
99.04525	12.5
99.71564	5.9
101.02432	26.0
109.02964	6.0
113.02459	19.3
115.00362	13.9
116.87753	7.3
125.02454	7.1
133.01411	11.2
135.04536	20.9
145.02931	8.6
157.75589	6.2
159.04552	9.7
165.49609	7.0
175.04028	8.3
177.01897	10.3
179.03575	9.3
247.09778	15.8
297.84631	7.7
299.01828	13.8
299.05670	8.8
311.05777	16.0
311.09125	8.7
329.13846	11.8
341.13828	17.2
473.18433	15.4
485.18298	12.2
491.19250	19.9
498.69141	7.0
503.19220	23.0
528.73395	8.1
533.20441	42.0
545.20093	21.2
563.30341	26.1
607.12927	7.6
607.32983	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	607.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
67.36758	0.6
70.90638	1.4
71.01375	9.9
72.99301	1.7
73.54578	0.6
89.02431	1.2
103.46037	0.6
107.05030	0.9
115.00364	28.1
133.01422	100.0
134.01743	2.1
134.03720	2.5
135.04517	24.5
136.04874	1.0
142.23051	0.6
179.03476	26.3
180.03931	0.8
183.30446	0.5
195.03055	0.6
246.20734	0.7
295.04514	3.2
414.93811	0.7
481.14783	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1666
Annotation	Swertiajaponin 4'-O-rhamnoside
Peak:m/z	Relative Intensity
50.05471	1.4
58.00588	2.2
59.01377	41.4
69.39336	7.5
71.01379	8.9
72.99310	2.0
73.02953	4.5
74.65487	1.1
75.68198	1.0
85.02960	7.0
89.02431	4.3
93.14625	1.2
96.96004	1.2
98.19942	2.4
100.00304	1.2
101.02400	5.4
103.04018	3.4
107.78382	1.0
133.02989	1.5
135.17921	1.0
137.15805	1.1
175.00427	1.6
214.02722	2.7
241.01428	6.4
242.02182	3.5
245.00858	3.0
251.03548	1.4
253.04997	1.4
270.01642	6.8
271.02386	4.4
280.03793	8.7
284.03381	3.6
285.03836	1.3
297.04062	6.6
298.01459	1.9
298.04742	14.1
299.02002	10.0
299.05542	3.8
307.02530	4.5
308.03226	36.9
309.03812	7.1
310.04825	2.6
311.02097	1.3
311.05643	1.9
312.06265	2.4
313.07056	1.7
323.05551	59.1
324.05927	3.4
325.07043	2.1
338.04239	3.3
341.06653	11.6
344.05502	2.4
352.05603	1.4
353.06552	9.8
365.06689	4.1
371.07632	9.7
372.07791	1.4
383.07675	3.3
443.09778	48.0
444.10284	4.6
487.12610	3.3
607.16766	100.0
608.17017	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	605.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46686	2.6
56.46428	3.0
57.03448	5.9
59.01383	33.3
61.98817	3.9
70.91529	6.4
71.01382	18.0
87.00879	6.0
89.02438	5.2
101.02451	7.2
104.28715	3.1
112.45745	2.7
113.02428	4.3
124.11359	2.6
126.66264	2.7
160.70003	2.9
164.21754	2.6
268.58606	3.6
309.24350	4.0
311.22232	3.4
320.84692	3.9
327.25421	8.7
339.25388	16.9
357.22165	5.5
357.26453	86.9
358.26791	5.9
462.74933	4.2
501.30545	11.0
519.31805	23.0
561.32788	100.0
562.33154	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	606.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83929	0.8
57.03450	1.7
59.01384	11.2
61.98826	8.6
63.83171	0.9
71.01370	5.2
71.50642	0.8
73.02941	3.6
85.61212	1.0
88.98766	1.6
89.02432	2.8
96.96007	3.7
99.04503	1.1
101.02426	3.2
105.98598	1.0
113.02434	2.7
115.00358	1.3
122.03727	3.9
133.01439	1.0
135.04480	1.6
150.03221	74.4
151.03606	1.7
165.05565	100.0
166.05878	3.0
177.02068	1.1
213.09215	1.7
250.70406	1.0
277.42908	0.9
331.11902	1.2
336.74728	0.9
460.63266	1.0
581.37927	1.0
606.29395	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	605.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65837	1.4
57.03436	2.6
58.00574	1.6
59.01374	100.0
61.98841	2.2
69.03433	3.3
69.28094	13.2
71.01012	2.6
71.01373	35.1
72.99315	2.4
73.02940	26.9
74.28973	1.6
83.01374	6.2
83.04987	1.6
85.02946	12.5
87.00862	3.8
88.98801	1.9
89.02440	21.4
95.01317	2.2
96.96033	1.6
101.02431	29.4
113.02439	31.3
115.00399	1.6
115.03878	1.5
119.03506	8.2
125.02417	2.5
131.03499	2.1
133.01361	1.9
135.04434	2.8
143.03441	5.2
149.04477	2.4
161.04561	11.2
179.05568	6.6
501.30856	12.7
519.31573	5.5
536.03680	1.7
545.33179	6.3
561.31927	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	605.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08708	1.0
56.64830	1.1
57.03442	1.1
59.01377	18.9
70.49754	0.9
70.99252	1.2
70.99587	2.5
71.01385	6.3
71.05045	1.1
73.02943	3.1
85.02957	3.4
87.00883	2.1
95.01345	1.2
101.02436	4.0
113.02460	1.5
117.56120	1.2
161.87141	1.1
173.41179	1.1
192.08008	1.2
199.13356	1.3
212.50574	1.2
269.20749	1.1
297.24066	1.5
323.25970	1.6
327.25327	16.0
339.25339	12.9
341.27020	7.7
357.26443	57.5
358.26993	3.2
399.27444	1.5
501.30667	6.1
519.31775	10.9
561.32758	100.0
562.33264	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	605.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06382	1.5
59.01383	25.0
69.23775	1.5
71.01360	7.6
71.21147	3.2
73.02955	4.0
83.01365	2.6
85.02938	2.0
87.00891	1.9
89.02436	2.6
101.02438	7.9
113.02435	3.3
197.72209	1.6
203.52046	1.5
233.92015	1.5
265.45102	1.7
303.70386	1.7
311.22214	2.2
327.25397	2.6
339.25323	6.0
357.26376	19.0
500.34229	1.8
501.30438	5.5
519.31781	12.5
520.32404	2.1
528.36212	1.7
561.32733	100.0
562.33020	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	605.2769
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
58.86633	0.8
70.79787	2.0
70.80141	1.0
80.80889	0.8
102.19805	0.8
116.34557	0.9
120.95844	0.8
147.08488	0.9
147.49435	0.7
208.03925	0.9
415.15686	1.6
429.16913	2.2
430.17899	9.5
444.19199	2.8
445.20288	100.0
446.20648	9.2
459.21854	20.9
460.22507	6.7
462.16968	1.2
473.19769	2.8
487.21280	2.7
503.20996	1.0
504.21646	60.9
505.21823	6.7
518.23163	15.4
519.23944	80.2
520.24261	10.2
573.24902	4.1
605.27612	56.2
606.27966	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	605.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26116	1.2
51.65114	1.0
51.92798	1.0
55.01870	2.6
56.07533	1.0
57.03447	7.0
59.01383	100.0
60.01724	1.2
61.98837	14.9
69.40238	8.8
71.01385	30.0
71.05021	1.4
72.99306	2.4
73.02946	13.1
75.00849	1.2
81.03471	3.6
83.01389	6.4
85.02953	12.5
87.00885	2.2
89.01116	1.1
89.02447	8.3
95.01407	1.9
96.95994	2.2
97.02960	2.6
99.00891	1.7
99.04527	4.9
99.92570	1.5
101.02452	16.7
107.05038	2.4
109.06595	1.5
111.00857	1.3
113.02469	12.1
115.00385	2.2
115.92068	3.0
116.92870	6.2
119.03516	2.0
120.01297	1.5
123.04530	9.2
125.02461	8.7
134.59074	1.1
135.04549	2.6
143.03491	3.2
159.04530	3.1
161.02478	1.8
161.04567	4.7
167.03506	22.0
171.14050	1.2
177.01881	1.7
179.03497	1.3
203.03490	1.8
239.22211	1.3
261.07718	1.9
290.58197	1.2
315.69681	1.2
357.13455	20.9
357.26379	14.2
383.24194	3.1
453.11603	1.3
484.97180	1.5
485.31213	20.6
501.30475	8.5
503.25562	1.7
503.32056	6.7
519.31464	3.7
545.30420	7.4
561.20703	1.9
561.32281	10.8
563.30701	6.5
605.20703	1.5
605.33167	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	605.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42663	0.3
52.12044	0.3
59.01367	0.4
61.98819	0.4
69.91093	0.9
69.91483	0.6
75.35703	0.4
98.19782	0.3
100.19698	0.4
106.06609	0.5
109.24181	0.4
136.23613	0.4
139.51988	0.4
415.15701	0.8
416.16370	0.8
428.16428	0.5
429.16956	0.7
430.18207	1.0
444.19257	0.6
455.18631	0.7
457.20300	2.3
459.17548	3.2
461.23416	0.5
470.20944	0.9
471.18079	1.3
472.19244	0.5
473.19693	3.9
474.20456	0.5
475.22021	0.5
485.19290	1.6
485.24063	1.4
486.20834	3.2
487.21091	1.5
496.18918	1.1
499.17715	2.5
500.17654	0.6
501.23965	3.1
502.23492	0.4
503.20309	0.4
510.20184	0.5
511.21509	2.7
513.19305	2.4
514.20007	8.8
515.20190	0.7
517.18378	0.7
518.19543	1.5
529.22412	100.0
530.22797	12.0
532.20599	1.9
533.21790	2.3
546.22681	1.2
561.25085	1.6
573.21747	0.9
605.23926	3.2
630.77856	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2404
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
61.74266	0.3
63.81927	0.3
69.97816	0.9
69.98232	0.7
76.38358	0.3
84.31731	0.3
98.20612	0.4
135.48186	0.3
166.17384	0.4
191.28984	0.3
312.44073	0.3
380.20615	0.4
393.10999	0.4
394.11798	0.6
415.15359	0.5
424.16629	0.4
428.16580	0.5
429.17249	0.9
430.18030	0.9
443.19171	0.7
457.20834	1.7
459.17810	3.2
461.23145	0.6
470.20926	0.9
471.18063	1.7
472.18686	0.8
473.19638	4.4
474.20422	0.4
475.21487	0.5
484.23129	0.4
485.18854	2.6
485.24753	0.5
486.20859	3.7
487.21317	1.3
491.17245	0.4
496.19009	0.7
499.17712	2.5
501.22720	2.7
502.19925	0.7
503.21033	0.4
511.21191	2.8
512.21814	0.4
513.19397	2.5
514.20062	9.0
515.20416	1.1
517.18683	0.4
518.19318	1.5
528.21741	0.6
529.22418	100.0
530.22791	11.3
532.21478	1.6
533.21967	1.6
561.25171	1.2
573.21368	1.2
605.23932	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	605.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	66.4
61.98811	9.3
69.59383	33.9
71.01402	38.5
73.02939	18.4
74.64746	6.6
85.02950	15.7
89.02440	15.7
96.96006	17.6
97.02987	7.7
98.19994	14.7
99.00850	12.4
99.01945	6.5
99.04508	9.5
101.02429	18.4
109.02956	9.8
113.02461	13.4
113.29082	7.2
115.00362	10.4
133.01443	12.8
135.04536	19.3
137.02473	8.0
137.87753	8.5
161.04599	8.4
175.03914	13.3
179.93002	8.9
222.36008	8.3
267.06549	12.0
281.08078	14.5
297.07523	23.2
309.07611	45.5
309.11041	15.3
312.10046	29.5
323.09085	9.5
324.09940	17.8
327.12314	100.0
339.12344	82.5
340.12698	14.4
341.06644	20.8
373.09146	8.7
605.15570	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	605.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28683	0.4
56.13667	0.3
59.01379	0.6
60.35361	0.3
62.02190	0.3
67.97854	0.4
71.01381	2.0
71.95840	0.3
72.99314	0.6
73.02962	0.4
78.81049	0.4
80.02653	0.4
86.85571	0.3
95.63734	0.3
98.19855	0.8
108.02171	24.0
109.02481	0.6
113.02416	0.4
114.26098	0.3
115.00385	4.3
123.04521	10.3
133.01425	8.7
134.03745	0.7
135.04497	2.3
152.01147	53.2
152.86330	0.3
153.01505	1.3
167.03491	100.0
168.03819	2.9
175.03981	0.4
179.03529	2.3
193.05057	0.8
193.68333	0.3
239.03557	0.5
257.08255	0.4
268.87228	0.4
269.04492	0.6
270.09079	0.4
285.11465	1.0
296.03104	0.9
297.04294	0.6
316.91782	0.3
329.10248	0.7
373.09207	1.2
393.18448	0.5
437.16769	0.9
605.21539	6.2
606.21881	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09308	1.9
53.67015	2.0
68.60806	2.2
69.72568	9.8
69.72988	3.6
71.01385	23.3
76.47781	2.0
90.24567	2.2
115.00366	35.8
116.00694	2.2
117.03418	2.8
133.01425	100.0
134.03735	37.8
135.04529	29.8
136.68007	2.0
149.06079	4.7
152.01180	5.1
167.03479	7.0
175.03998	2.7
178.02687	4.2
179.03493	32.8
180.03845	2.6
193.05032	74.6
219.71072	2.3
285.11377	3.4
295.04669	2.8
309.06232	2.8
334.12607	2.1
373.09338	4.4
434.97925	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	605.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.68995	2.0
70.84387	5.1
71.01383	21.1
89.02459	2.0
108.02196	4.8
113.89725	2.2
115.00372	35.1
123.04446	2.5
126.54295	2.3
133.01425	100.0
134.03737	40.5
135.04535	26.0
149.06039	6.0
152.01169	11.6
163.96078	1.8
167.03506	14.4
175.92383	2.1
178.02737	3.0
179.03500	25.0
193.03360	4.2
193.05042	68.3
285.11310	4.6
321.37329	2.2
338.26166	2.5
373.09363	3.3
450.14896	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	605.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.5
59.96033	0.6
61.98799	0.9
71.01373	11.5
71.50339	1.1
72.99317	0.7
73.02922	1.3
83.01370	0.7
89.02438	1.6
96.96007	0.7
100.30849	0.6
101.02414	1.4
108.02162	2.9
109.02944	10.3
111.00812	0.6
113.02422	0.6
115.00372	13.4
121.02924	0.9
122.03744	16.7
122.04620	1.1
123.04475	1.0
124.01672	8.0
133.01430	6.3
133.02940	17.3
134.03690	1.9
135.04514	13.9
136.01633	0.5
137.02431	3.0
146.03705	1.8
147.04520	10.9
148.05298	4.2
149.05960	1.0
154.02690	1.2
159.04503	1.6
160.05232	1.6
161.04749	0.7
161.06036	9.2
163.00371	0.7
163.03983	2.0
163.07610	0.7
175.00266	0.6
175.26083	0.6
179.03474	10.1
193.05029	2.6
237.05458	0.9
239.03413	1.6
240.04105	0.7
241.05049	1.4
242.05792	9.0
251.07004	0.6
252.07744	0.6
253.08763	0.7
255.06625	2.8
256.07495	0.9
257.08200	5.2
267.02963	0.7
267.06586	0.7
268.03702	0.7
269.05154	1.1
269.08160	4.1
270.08917	16.9
271.02499	2.5
271.09241	1.1
283.02377	2.6
283.09790	2.2
285.11285	75.7
286.11542	4.3
296.03183	1.1
297.04062	1.3
297.07352	0.6
328.02347	2.2
329.10287	5.5
332.43179	0.7
356.01678	2.6
357.02429	1.5
373.09238	100.0
374.09573	8.2
395.24066	0.6
459.09128	0.6
489.10754	0.7
533.09497	3.1
561.08740	4.3
578.34039	0.8
605.14740	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	603.302
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03212	1.0
57.03454	9.3
59.01376	100.0
60.01713	1.2
61.98810	5.9
70.36153	3.3
70.36510	1.8
71.01379	27.3
71.05010	6.8
72.99326	1.7
73.02947	15.6
83.01369	4.7
85.02938	10.0
85.06580	9.4
85.27708	1.2
87.00851	2.1
89.02434	18.6
95.01392	1.9
96.96004	2.0
97.02909	1.3
97.06592	1.2
98.81099	1.5
99.00893	1.5
99.04494	3.7
100.66763	1.4
101.02432	21.4
111.00919	1.3
113.02440	16.5
115.00373	1.9
115.92059	1.2
116.92866	2.2
119.03522	6.8
119.05089	2.6
125.02499	2.1
125.09686	1.3
133.01454	1.3
134.06071	1.2
143.03490	2.3
143.10751	5.0
153.12862	3.2
161.04549	5.3
171.13817	1.5
177.01846	1.2
179.05554	2.2
253.05045	39.4
254.05612	2.2
311.25815	6.3
325.10745	2.5
355.24869	45.9
356.25122	2.9
379.25067	2.5
483.29404	5.2
499.29074	4.0
509.86963	1.1
517.30255	1.9
523.80731	1.2
535.48163	1.2
543.27264	6.8
559.31207	33.3
559.39929	1.7
560.31580	3.6
561.28943	9.7
603.21442	1.3
603.30896	1.7
604.31305	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	604.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	33.8
59.01377	62.6
60.01692	1.7
61.98829	100.0
70.37009	3.6
70.37390	2.6
71.01372	13.1
73.02942	6.5
83.01392	1.5
85.02929	8.1
88.47316	1.4
89.02419	2.7
89.23624	1.2
95.01363	1.8
98.20580	1.9
99.00867	2.1
99.04517	45.9
101.02450	17.2
102.36461	1.3
102.96049	1.5
107.16576	1.3
113.02475	7.0
115.04049	1.4
122.16090	1.5
125.02443	23.2
143.03481	2.9
161.04550	5.5
254.05928	2.3
269.08224	6.8
314.63971	1.4
357.26407	3.2
388.67230	1.4
397.22363	7.5
439.23361	8.4
479.26230	2.0
541.26508	31.2
542.26520	2.2
560.31537	7.7
561.32697	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	603.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52028	1.3
59.01383	2.3
60.99305	7.8
61.98842	1.6
66.56561	1.4
68.59590	1.3
71.01365	2.1
71.49896	2.0
87.00875	6.0
88.00403	13.0
88.04023	2.7
88.98804	48.5
89.02442	100.0
96.96003	1.3
115.63400	1.3
120.84191	1.5
124.41830	1.4
191.53090	1.3
277.21741	10.4
278.22067	2.5
279.22311	2.0
376.53287	1.7
394.62524	1.4
424.16138	1.5
461.14847	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89714	2.0
55.01853	1.9
57.03439	17.5
58.43574	1.8
59.01378	100.0
61.98825	3.0
65.99938	2.2
69.54253	14.3
70.97318	1.8
71.01383	23.8
71.05031	2.0
73.02940	13.5
74.66508	1.8
83.01859	2.2
85.02949	8.4
89.02430	8.8
89.27064	2.0
99.04513	15.1
101.02431	16.8
113.02459	11.5
116.92853	2.6
119.03512	2.4
125.02445	6.5
153.23476	2.2
157.75775	2.1
355.25070	2.4
366.21384	2.3
463.03333	2.1
477.75238	2.4
499.28635	4.9
559.31213	89.4
560.31616	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00595	1.6
59.01381	55.9
59.45244	1.3
63.34610	1.5
70.59460	1.7
71.01385	49.0
71.50642	2.2
72.99300	3.5
73.02957	3.6
83.01395	5.2
85.02962	8.9
87.00893	17.1
89.02453	49.2
95.01360	1.7
99.00898	2.0
101.02449	22.8
113.02454	24.7
119.03513	21.5
125.02406	1.5
131.03506	3.2
136.61192	1.9
143.03484	8.0
149.04617	2.5
161.04562	9.6
163.37917	1.4
179.05609	22.4
242.08742	1.5
277.21719	100.0
278.22147	4.6
291.23282	5.8
319.22830	3.3
323.09784	12.6
341.10837	43.1
532.86127	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	601.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37787	1.3
59.01391	9.5
60.82587	1.4
61.98829	2.7
66.56983	1.4
69.18775	4.4
69.19195	9.2
71.01381	1.9
89.02449	2.0
90.06476	1.4
96.96028	3.3
101.02416	2.1
113.02412	1.5
140.07596	1.4
185.60464	1.3
189.42262	1.4
195.21356	1.4
196.75624	1.3
216.15965	1.3
235.08330	1.9
253.09291	13.3
305.24860	100.0
306.25162	5.9
350.25555	1.6
410.51553	1.4
530.92926	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.3
60.99301	8.4
63.65470	1.2
65.87766	1.4
69.24912	2.8
69.25315	9.6
87.00871	4.8
88.00397	11.5
88.04035	3.1
88.98804	58.9
89.02441	100.0
180.03810	1.2
187.55043	1.3
191.58629	1.4
222.03558	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	601.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62302	0.3
55.01894	0.8
57.03435	1.7
58.00592	3.5
58.48956	0.3
59.01379	65.1
60.01716	0.4
64.01685	0.3
67.01897	0.4
68.99809	0.4
69.03451	1.0
71.01379	54.3
72.01716	0.5
72.99297	3.5
73.02950	3.6
75.00870	1.1
83.01388	6.4
83.05037	0.6
84.02165	0.3
85.02950	10.7
87.00876	21.9
89.02444	55.9
90.02773	0.5
92.17668	0.3
95.01391	3.0
97.02945	1.4
99.00896	1.7
101.02438	27.0
102.02773	0.6
108.53069	0.3
111.00914	0.8
111.52377	0.3
113.02448	28.4
114.02766	0.5
115.04002	1.0
117.01937	0.4
119.03499	19.5
125.02487	1.5
125.05979	0.4
126.95975	0.3
129.01930	0.8
131.03516	3.4
139.07640	0.4
141.01927	1.9
143.03506	8.7
149.04552	2.0
159.02975	0.8
161.04549	10.2
179.05609	20.2
180.05940	0.4
186.24023	0.4
203.05606	0.4
233.22755	0.4
259.20502	0.7
273.22061	1.2
277.21707	100.0
278.22034	5.9
291.23300	9.6
292.23669	0.8
294.82794	0.3
301.21716	1.7
319.22748	4.5
323.09796	11.8
324.10471	0.4
341.10873	42.0
342.11258	2.0
349.23608	0.6
601.32355	1.1
625.83539	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.7
57.03444	2.5
58.00585	3.0
59.01378	42.4
69.03458	2.1
71.01379	49.8
71.09694	1.2
72.99309	3.3
73.02942	8.9
75.00874	1.9
83.01387	12.9
84.00758	0.6
85.02951	12.5
87.00875	62.2
89.02443	41.3
92.97076	0.6
95.01382	4.2
95.35342	0.6
97.02951	3.0
97.06587	0.8
99.00884	2.3
101.02440	30.9
111.00923	1.0
113.02448	32.7
115.03998	2.1
119.03497	11.1
125.02467	3.1
125.03249	0.6
125.06053	1.3
129.01933	2.5
131.03474	2.5
139.07570	1.4
141.01927	4.1
143.03497	11.4
149.04568	0.7
159.02975	1.9
161.04550	15.6
161.84320	0.7
168.08328	0.7
179.05606	18.1
179.47321	0.6
218.06113	0.6
220.17746	0.7
223.98239	0.6
249.31004	0.6
255.21021	0.9
273.22269	3.6
277.21704	100.0
278.22043	7.4
289.21820	1.0
291.23264	23.9
292.23544	1.5
301.21655	3.5
319.22766	9.8
323.09799	16.5
324.10025	1.0
341.10864	55.9
342.11148	2.0
349.23727	1.2
379.87683	0.8
601.31860	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	601.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	100.0
59.01375	53.1
69.03461	2.8
69.33022	4.4
69.33426	14.3
71.01379	13.8
73.02944	21.6
81.03454	3.5
83.01386	4.1
85.02917	3.1
94.85268	2.2
98.20610	4.5
99.04514	73.5
101.02432	31.6
113.02454	5.0
123.04552	3.2
125.02448	38.1
143.03461	4.4
155.03406	2.7
161.04532	4.1
278.65906	2.3
345.40485	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	601.2663
Annotation	Oxidized dinoflagellate luciferin
Peak:m/z	Relative Intensity
50.84796	1.3
57.03437	5.1
59.01381	49.5
60.25047	1.7
61.98832	8.3
69.03441	1.8
70.46269	3.3
70.46606	2.2
71.01380	13.6
73.02949	4.4
81.03465	1.5
83.01382	3.2
84.04535	2.0
85.02908	2.8
85.06588	6.4
87.00854	1.5
89.02431	3.3
94.06641	2.1
95.03742	4.2
96.08202	2.9
99.00912	2.4
99.04525	6.1
100.04843	1.6
101.02441	7.0
106.06592	1.8
110.06158	2.2
113.02451	5.8
115.00350	1.9
118.06647	3.9
119.03482	2.5
120.08166	4.3
122.06123	4.6
123.03235	1.6
124.07639	8.3
125.02431	3.5
133.01410	1.7
133.05377	1.7
134.06071	2.5
139.04005	2.4
144.04552	9.3
144.66351	1.6
146.06116	34.1
147.06834	5.3
148.07683	35.5
150.05614	10.4
161.04671	2.1
162.05574	2.7
171.10236	4.7
172.04028	21.6
173.04942	8.3
173.07190	49.0
173.08676	3.6
174.03279	3.7
174.05569	18.3
174.07025	2.4
179.05884	8.1
186.09294	5.0
200.10829	1.8
201.01926	6.8
203.11905	6.7
205.03737	9.2
211.13327	3.4
228.13863	1.7
229.09795	4.8
229.13416	2.1
233.04474	2.5
239.08128	2.2
241.09778	3.5
242.11974	2.7
243.11426	2.5
253.09744	2.4
254.11954	3.6
255.11365	4.4
259.14563	7.6
267.93436	1.5
269.12833	5.0
271.14468	16.5
279.11292	2.5
282.10110	1.9
285.12357	6.9
297.12405	62.1
298.12701	4.0
314.15680	1.5
315.13351	4.4
323.10431	5.4
330.15817	1.6
340.14615	2.0
341.11374	69.1
342.11566	3.1
346.41483	1.4
353.23566	3.0
358.14200	3.6
371.16196	2.2
373.14188	4.4
376.17010	1.7
379.08218	3.7
386.18503	2.2
419.18433	3.6
465.22961	2.5
511.27066	5.1
521.25537	23.2
522.26117	2.7
539.26715	4.2
545.24066	6.0
555.25757	5.2
565.24457	41.6
566.24664	5.0
583.25629	25.8
584.25800	2.1
601.26648	100.0
602.26642	12.1
612.55304	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03164	2.6
57.03447	65.5
59.01377	100.0
61.98819	5.8
69.48020	1.3
71.01382	23.4
72.99311	1.5
73.02943	17.9
74.90569	1.4
78.91855	2.1
81.03477	3.4
83.01375	5.4
85.02941	6.4
87.00865	1.4
89.02445	7.7
95.01332	1.3
97.02934	1.6
98.19937	3.2
99.00858	1.8
99.04516	66.1
99.92551	1.6
101.02438	26.9
113.02452	11.7
119.03530	3.0
125.02448	29.6
143.03448	5.0
143.04515	1.8
159.04485	3.0
160.00388	1.6
161.04559	4.1
171.57051	1.3
193.61887	1.6
203.03539	3.0
203.05453	1.6
240.82666	1.3
245.61757	1.3
269.12949	3.9
297.24173	1.5
300.16586	1.3
353.23410	1.5
397.22244	1.5
410.61182	1.4
480.14618	2.1
503.32181	2.2
557.29688	31.5
558.29688	2.8
583.21588	1.8
601.26971	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	601.25
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03169	1.9
57.03454	55.5
59.01385	100.0
59.92149	1.5
61.98845	9.2
65.10120	2.0
71.01395	21.5
71.50745	2.3
71.51124	3.4
72.99311	2.1
73.02954	13.8
75.71074	1.6
77.72849	1.7
79.17609	1.5
81.03477	1.6
83.01401	5.4
85.02962	6.4
86.28098	1.9
87.00858	2.4
89.02438	3.9
99.04527	60.8
101.02451	24.9
111.48038	1.7
113.02445	10.6
116.92850	4.7
125.02450	27.2
128.03613	2.2
143.03485	4.0
146.06178	3.2
149.04582	2.4
159.04475	4.9
161.04607	5.1
171.10284	1.9
171.98436	1.7
172.04059	1.8
174.03232	3.3
187.07581	1.8
201.01903	4.6
203.05432	1.9
213.49672	1.7
233.04501	3.0
299.01974	1.8
333.20508	2.0
336.10342	2.3
353.23138	3.2
426.20609	2.5
455.22647	2.2
481.28622	2.0
557.29388	5.8
559.35046	2.4
583.25500	5.2
601.26550	7.8
601.35645	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	599.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00876	1.6
55.01888	1.5
57.03448	100.0
59.01377	77.0
61.98832	3.2
64.50591	1.4
69.03448	5.1
69.42839	3.2
69.43256	7.4
71.01383	26.1
73.02945	40.5
79.05534	1.3
81.03442	7.3
83.01384	12.3
84.72134	1.6
85.02941	5.0
89.02417	2.7
96.96017	1.5
97.02938	1.7
99.00887	1.5
99.04514	97.1
100.04850	1.5
101.02436	52.2
111.01836	1.4
113.02445	13.0
119.18031	1.4
123.04506	4.3
125.02448	62.3
131.03525	2.6
140.04942	1.3
141.05566	1.9
143.03481	7.7
149.04582	2.1
153.05493	1.8
155.03488	2.8
157.47685	1.6
161.04507	6.7
171.76680	1.3
177.31789	1.2
194.93463	1.6
203.05574	6.4
239.98228	1.5
251.31818	1.5
413.36151	1.7
474.25143	1.5
555.28125	4.9
599.26367	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	600.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.4
59.01380	2.7
61.98832	100.0
69.65107	0.9
71.01375	1.1
72.99329	0.2
73.02971	0.6
75.03135	0.2
80.15660	0.2
84.12756	0.2
85.02915	0.2
89.02457	0.4
93.82481	0.2
96.96025	0.5
98.20770	0.2
99.04519	0.3
101.02468	0.5
113.02443	0.5
116.92909	0.3
128.03580	0.3
133.01485	0.2
138.71951	0.2
161.04570	0.3
181.74583	0.2
245.91606	0.2
295.02026	0.2
311.96344	0.2
369.71692	0.2
415.19217	0.2
541.27155	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	9.4
59.01380	26.8
60.01711	0.9
61.98828	100.0
63.99255	1.8
69.22440	9.7
71.01374	10.1
73.02950	6.4
74.65908	1.0
78.95894	1.8
83.01383	1.4
85.02962	3.7
89.02438	4.3
96.96008	3.7
99.04528	9.9
99.92575	1.3
101.02444	7.5
113.02462	4.5
115.92080	1.2
116.92883	4.9
119.03546	1.9
125.02434	3.5
134.03717	1.1
135.04512	1.4
157.05940	1.0
161.04547	1.1
179.95810	1.0
244.95580	1.0
357.26385	1.2
375.27451	4.2
440.86212	1.2
537.32764	26.0
538.32861	3.8
600.31470	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	601.0279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44310	0.8
59.01384	100.0
61.98833	2.2
63.13206	0.9
69.11137	1.8
69.11532	8.8
70.28191	0.8
75.02189	0.8
115.02521	7.0
117.00431	5.9
132.98160	2.1
141.00443	1.4
157.03584	1.8
159.01505	68.5
160.01624	3.3
174.99268	13.2
176.98131	15.7
200.97562	0.9
201.02577	24.9
202.02739	1.0
217.00305	52.7
218.00531	1.0
241.00548	1.0
259.01602	1.6
274.99445	3.8
290.97333	0.9
301.02667	55.0
302.02856	6.7
316.96686	2.1
317.00430	40.6
318.00638	2.7
359.01520	19.7
360.01874	1.4
459.01498	11.8
460.01706	1.4
499.00003	0.9
522.49384	1.1
541.00653	35.5
542.00867	7.0
574.37628	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08195	1.1
59.01375	59.9
61.98821	1.4
69.99371	4.6
69.99784	1.8
71.01358	1.3
79.33624	1.4
91.27477	1.0
109.02934	1.3
121.02905	2.8
125.28860	1.2
133.01474	1.2
149.02423	48.1
150.03223	16.5
163.03961	1.5
164.04791	11.1
165.05551	24.7
166.06302	1.4
167.07123	2.2
180.04253	1.6
181.08647	1.7
195.06631	20.1
258.70145	1.3
314.11603	23.9
315.11951	1.8
318.56104	1.2
329.13913	100.0
330.14160	4.7
349.10825	6.0
377.15991	44.5
378.16608	2.4
394.80240	1.2
439.09897	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	599.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90429	1.4
57.03447	96.2
59.01377	73.5
61.98824	3.1
69.03447	3.6
69.43446	7.6
70.46928	1.6
71.01377	19.7
73.02943	33.2
77.57213	1.5
81.03440	6.1
83.01373	5.4
85.02946	4.2
89.02409	2.7
96.96007	3.1
97.02946	1.9
99.04516	100.0
101.01797	3.1
101.02440	45.0
104.61791	1.4
113.02448	12.2
123.04512	5.1
125.02440	57.5
131.03484	3.8
143.03539	8.1
150.03148	1.8
155.03514	3.3
161.04547	4.5
203.05559	6.9
345.79929	1.6
453.46179	1.8
553.63879	1.7
555.28510	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	599.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03576	1.2
57.03447	100.0
59.01378	61.9
61.98824	4.0
63.54782	1.1
69.03444	1.4
70.36836	3.6
71.01378	20.8
73.02945	26.3
75.00841	1.5
81.03459	4.6
83.01376	7.3
85.02946	3.8
85.77956	1.0
89.02448	2.2
97.02951	2.2
98.19923	1.1
99.04515	98.2
101.02435	34.0
106.56356	1.0
113.02443	8.7
113.06142	1.1
119.03509	1.3
123.04508	4.1
125.02445	50.7
131.03488	2.3
143.03522	6.9
149.04523	1.1
155.03465	2.8
161.04570	3.8
203.05585	4.2
282.04349	1.0
333.05411	1.3
406.62134	1.3
568.52655	1.3
581.24060	1.6
599.23602	1.5
629.84271	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47997	1.3
54.57492	1.4
56.86317	1.2
57.03452	100.0
59.01383	75.0
60.01699	1.5
61.98838	10.0
69.03465	3.7
71.01381	22.3
73.02954	30.8
75.81370	1.3
81.03475	4.1
83.01406	9.5
85.02954	5.9
89.02438	3.4
90.41331	1.3
96.96014	4.9
97.02950	4.6
99.04526	98.8
101.02454	41.7
113.02455	8.3
115.92089	3.2
116.92879	1.6
123.04526	4.3
125.02452	50.3
127.63663	1.7
129.50800	1.4
143.03519	10.1
149.04622	2.2
155.03482	2.8
161.04549	4.3
185.00945	2.9
193.08438	2.8
203.05699	3.7
395.24152	1.7
517.29999	3.4
539.28302	3.9
555.27643	4.1
557.29547	2.8
599.22003	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	598.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.1
59.01377	2.2
59.35523	0.2
61.98833	100.0
62.44214	0.2
69.03437	0.2
69.20574	0.6
69.20985	1.9
71.01392	0.7
73.02953	0.7
75.00877	0.2
78.28593	0.2
89.02458	0.4
90.30078	0.3
96.96040	0.9
99.04521	1.6
101.02500	0.9
107.05231	0.2
116.92881	0.4
121.03036	0.2
125.02486	0.8
136.20378	0.2
155.10683	0.2
264.94843	0.3
432.04559	0.3
535.31348	0.3
592.17694	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89126	0.2
57.03452	1.0
59.01378	3.0
61.98827	100.0
65.57787	0.2
70.51878	0.3
71.01389	1.1
73.02941	0.7
83.60690	0.2
85.02948	0.5
96.96004	0.8
97.02971	0.2
99.04516	1.8
99.92581	0.3
101.02463	0.7
113.02438	0.6
116.92815	0.3
125.02477	0.8
135.04478	0.3
155.10759	0.3
229.08681	0.2
230.09102	0.3
450.20471	0.3
482.20425	0.2
535.31561	0.8
555.28027	0.4
598.33020	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22474	0.6
56.60979	0.6
58.02973	6.9
59.01369	5.6
61.98831	5.1
66.03482	1.1
68.34003	0.6
68.99538	1.0
70.02958	1.1
71.01376	1.8
72.00898	1.0
72.70937	0.6
73.02946	1.5
74.02470	14.8
76.44091	0.7
81.04577	0.8
82.02987	2.0
85.02982	0.9
86.02477	7.0
86.06165	0.9
86.99090	1.4
87.05644	3.9
88.04036	0.6
88.25013	0.7
90.00177	1.5
97.04069	2.3
99.04549	0.8
99.05635	14.7
101.02415	1.0
101.07215	2.5
102.05595	2.1
106.06611	0.7
109.04063	2.6
111.05639	1.5
112.04028	2.2
112.98576	1.5
113.03568	1.2
116.01749	1.6
123.05638	1.2
124.04015	0.7
125.02444	0.6
125.03548	1.4
127.05134	2.5
128.03537	41.5
135.04630	1.0
135.05624	5.0
137.07170	1.1
141.06680	3.6
143.04620	52.2
144.01263	0.7
144.04962	1.2
145.06139	1.7
146.04610	5.2
149.07181	0.7
153.06709	3.8
155.62112	0.6
160.00732	15.7
166.09865	1.6
167.04643	3.6
167.08231	2.7
170.03316	1.2
171.07767	0.7
177.02008	1.0
177.03392	6.6
179.03214	1.1
179.04616	11.8
180.04921	0.6
181.06247	0.8
185.05702	1.6
192.07875	1.2
197.05687	2.2
198.08855	0.7
210.08832	10.4
213.03229	0.8
228.09831	0.9
242.07700	1.4
254.07814	18.9
254.10300	1.3
255.15820	0.7
267.11441	0.7
272.08871	32.4
273.09171	1.1
288.06595	10.7
291.20026	0.6
306.07642	100.0
307.07907	4.4
598.27771	8.3
599.28149	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	597.2373
Annotation	Mg-Protoporphyrin IX 13-monomethyl ester
Peak:m/z	Relative Intensity
51.40997	4.6
52.37894	4.7
59.01378	6.8
61.98833	6.9
62.08355	4.9
65.72675	5.2
71.49841	8.1
76.55085	4.4
78.95911	19.5
82.95422	8.6
85.13332	5.3
120.08226	6.3
152.99570	16.1
164.98410	5.9
173.47356	5.8
241.01144	6.8
279.23315	7.8
280.23767	8.3
281.23779	5.2
290.78491	5.0
299.63461	5.2
368.50418	5.2
386.85956	5.5
446.17639	7.7
447.25507	22.4
460.18472	5.1
462.20645	8.9
463.24902	15.1
465.26733	10.2
466.25113	12.1
480.21640	6.6
491.24673	24.0
495.12619	8.8
507.24194	43.6
509.25705	17.7
510.15735	6.0
510.23569	10.7
525.24640	7.0
535.23566	49.5
536.22339	5.7
553.24597	100.0
554.25317	7.5
579.22821	13.6
596.29120	12.5
597.19891	48.0
597.29443	24.9
622.46417	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	597.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43272	0.5
54.30907	0.5
59.01385	3.4
61.98817	3.0
66.96506	0.5
69.48886	3.6
71.01389	2.7
73.02945	1.1
75.00872	7.7
81.03455	11.4
83.05024	34.3
85.02939	1.2
86.19168	0.6
89.02462	1.0
90.41950	0.5
96.96002	2.6
98.20604	1.0
100.07680	3.9
101.02457	1.7
108.04591	0.6
125.82462	0.6
127.04037	0.6
133.01514	0.6
135.04601	0.7
172.13664	0.5
199.18159	6.1
207.15154	0.8
224.17719	1.1
225.16072	8.2
243.17130	16.9
244.17525	0.5
269.15063	1.5
309.21918	1.0
353.20740	7.0
375.27225	0.7
451.33090	2.4
455.63211	0.5
469.33932	13.2
470.34232	1.0
537.32861	3.3
579.37714	2.5
597.38861	100.0
598.38928	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	597.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38528	1.5
59.01376	49.0
64.70927	1.3
69.43317	8.6
71.01376	2.8
85.25517	1.6
115.00386	1.6
116.92126	1.5
121.02923	5.2
122.03745	3.1
133.01454	1.8
135.04510	2.0
136.50638	1.3
139.04022	1.9
146.03711	7.4
149.01289	2.6
149.02428	39.7
150.03221	35.7
151.57744	1.4
161.06094	3.7
164.04773	18.2
165.05550	50.1
166.45175	1.4
179.07140	13.9
180.04333	2.5
195.06612	44.8
231.46625	1.5
283.09729	1.5
297.07620	1.7
312.10068	21.7
327.12344	100.0
328.12674	6.5
337.09210	1.5
375.14502	27.7
434.06195	2.7
435.06906	2.2
461.14517	2.2
597.11865	3.7
598.13507	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	597.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01352	6.6
60.61241	5.4
63.85587	4.9
71.50404	9.8
78.95937	6.8
108.00594	5.9
125.09734	13.4
152.99577	7.9
159.04507	19.0
164.89876	6.4
171.10284	20.1
197.11746	8.4
199.13390	7.4
203.03473	18.2
215.12903	13.7
222.63979	5.9
281.24780	10.3
319.68994	8.2
334.06796	5.6
399.07721	6.1
415.23450	8.6
443.19241	6.6
443.26465	7.4
458.20786	9.9
462.20203	28.8
463.25372	12.9
473.23450	21.1
491.24530	35.3
507.24213	37.9
521.21533	6.8
535.23517	100.0
553.24719	41.2
597.30304	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	596.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	5.7
61.98830	100.0
70.57627	1.2
70.59704	3.2
78.62179	1.1
88.98792	2.8
96.00897	1.3
96.96011	2.7
101.02486	1.3
131.05057	2.2
133.02945	3.8
147.04431	1.7
175.03989	49.2
176.04266	1.7
201.01950	16.1
214.74994	1.3
217.55853	1.5
244.51921	1.2
269.89890	1.5
337.09131	3.7
381.08212	26.1
405.91000	1.5
509.07486	1.3
596.31464	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	597.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
67.44073	2.3
69.39790	11.3
69.40198	4.4
71.01378	14.0
96.96017	2.3
98.19855	2.2
115.00376	30.9
133.01427	100.0
135.04520	26.3
179.03493	28.5
191.05652	3.7
247.63857	2.1
276.74051	2.3
295.04486	3.6
309.41299	1.9
327.89859	2.3
350.06754	2.1
362.93192	2.5
387.81747	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	597.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	84.2
59.01378	75.1
61.98835	14.8
69.03444	5.8
71.01012	2.5
71.01379	32.5
71.11110	3.1
73.02552	3.4
73.02945	45.3
75.00873	3.5
75.15331	1.8
77.28268	1.7
81.03451	6.7
83.01373	7.9
83.38467	1.8
85.02946	7.3
97.02898	2.2
99.00871	2.3
99.04517	100.0
101.02440	52.9
113.02444	16.4
119.03516	2.4
123.04509	4.8
125.02443	77.0
129.93398	1.7
131.03464	2.5
143.03494	13.2
155.03474	4.2
161.04573	9.0
166.63042	2.1
171.08119	2.4
187.11272	45.0
198.39772	2.1
203.05591	8.0
219.80388	1.9
383.03821	2.0
597.33948	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	595.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.6
59.01378	16.9
61.50741	0.7
61.98536	1.2
61.98829	13.2
66.01684	0.8
71.01376	7.6
71.50752	1.0
72.99309	1.5
73.02944	7.8
75.00877	3.9
83.01385	1.1
85.02946	3.2
87.00877	1.6
89.02439	2.4
96.96016	2.2
97.06587	1.0
99.00874	1.1
99.04515	1.6
99.08182	0.8
101.02451	5.2
113.02448	2.9
115.00410	0.9
116.92879	1.1
122.27110	0.8
123.04483	0.9
123.08140	0.7
124.01698	0.9
125.02479	1.7
125.09640	0.8
131.03491	0.7
133.01382	1.2
135.04482	1.1
151.07809	0.7
157.12360	1.6
161.04581	0.7
169.12292	0.9
174.03180	1.4
176.01173	1.0
177.01883	2.2
185.11835	2.1
189.17766	0.8
194.97841	0.8
206.02150	0.8
214.08383	0.8
215.12898	1.9
227.07169	0.7
228.07166	1.0
229.08711	4.3
311.22345	0.8
329.23334	7.6
345.22717	3.4
347.24347	100.0
348.24747	5.6
361.25873	1.9
389.25476	2.4
391.26682	2.0
433.27667	1.1
535.30603	2.3
551.30756	3.8
553.31696	1.4
595.32599	25.5
596.33374	1.6
602.42651	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	596.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.5
58.40071	0.4
59.01382	3.9
61.98829	100.0
65.76888	0.5
68.59294	0.5
70.61541	1.2
71.01389	1.8
78.41735	0.4
79.26685	0.4
81.03474	0.4
83.01390	0.5
85.02957	0.9
89.02398	0.4
101.02422	0.5
128.03481	0.5
147.39754	0.4
175.03986	3.0
201.01897	1.0
231.89174	0.5
289.71927	0.5
337.09201	0.6
493.16483	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2884
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
50.01221	0.6
59.01376	1.2
62.38946	0.6
71.92211	0.6
78.95900	64.6
80.18105	0.6
96.96950	13.9
96.97531	1.2
98.19001	0.7
98.19949	2.0
121.02915	0.6
134.98553	0.6
139.62395	0.7
150.98051	0.9
152.99579	58.8
190.97977	0.6
223.00125	2.1
241.01180	34.1
242.01624	0.8
279.23270	66.4
280.23605	4.7
315.04810	9.0
316.84424	0.7
317.21112	0.6
397.62140	0.7
415.22464	6.0
416.23026	0.7
464.22931	0.7
595.28833	100.0
596.29132	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	595.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
58.96717	0.7
59.01364	1.9
66.28426	0.8
67.11299	0.7
67.50562	0.8
71.01390	0.9
76.25594	0.8
78.91879	1.3
78.95901	72.9
80.91679	19.9
96.96960	14.3
115.26487	0.7
120.67833	0.9
149.48251	0.8
150.97992	1.6
152.99577	100.0
153.99892	1.0
171.00656	2.6
223.00124	10.5
223.02177	1.4
241.01158	32.0
257.05316	1.1
259.02066	1.8
275.06155	1.5
277.21780	5.5
279.23267	69.8
280.23572	4.7
312.13107	0.7
315.04852	18.6
344.44855	0.8
359.21957	2.9
415.22565	2.4
535.27997	1.1
595.28845	99.6
596.29163	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	595.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28170	1.2
50.74948	1.3
55.01871	2.2
57.03435	4.4
59.01376	83.8
61.98832	8.4
69.03457	2.2
71.01383	16.9
72.99305	2.3
73.02949	11.8
75.00867	3.6
83.01392	3.6
85.02936	6.9
87.00897	2.3
89.02445	3.8
96.95978	2.5
99.00839	1.8
99.04482	2.8
101.02431	11.3
113.02457	6.1
115.00349	3.7
116.92835	2.7
124.04047	1.6
125.02480	2.2
133.01434	4.3
135.04568	2.3
161.02469	2.7
169.12253	1.5
201.01913	3.0
202.02261	1.9
215.48840	1.2
236.34111	1.4
287.22089	1.6
287.81195	1.4
347.24368	7.7
373.25879	2.8
391.27023	3.4
431.26584	6.5
449.27582	2.9
491.28516	2.6
533.29364	5.8
535.31085	5.7
540.89478	1.4
551.22833	3.4
551.30652	100.0
552.30963	9.5
553.32635	3.5
595.14697	2.5
595.33203	45.9
596.33502	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	594.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84643	0.2
57.93417	0.2
59.01382	1.1
61.98829	100.0
62.78003	0.2
62.98099	0.2
62.98525	0.3
69.21545	2.0
70.30928	0.2
71.01406	0.4
72.88888	0.2
89.61395	0.2
118.76923	0.2
129.21228	0.2
147.57762	0.2
159.79352	0.3
167.14163	0.2
175.03975	2.8
264.20187	0.2
337.09430	0.4
381.08347	0.5
524.51654	0.2
527.91608	0.2
529.71332	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93748	3.4
54.23623	3.4
57.03450	34.2
59.01379	52.9
61.98830	43.9
69.26720	24.7
71.01376	9.2
99.03922	4.9
99.04525	59.0
101.02412	15.2
103.43110	3.5
113.02451	5.2
116.84692	3.9
123.65939	3.5
125.02455	22.5
143.03545	3.8
153.09181	11.4
161.04517	3.7
194.73459	3.8
225.15036	21.6
227.03543	20.0
228.03775	13.7
229.05043	4.4
255.02980	30.1
256.03375	28.0
257.04092	5.5
284.03217	29.6
285.03876	63.7
286.04376	43.2
330.45605	3.9
369.19080	10.0
387.19919	11.5
429.21255	17.4
487.25430	5.8
531.24561	37.0
594.15479	100.0
595.15521	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	595.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.4
69.51287	10.0
71.01389	12.5
96.96001	3.4
98.20636	2.7
115.00385	28.9
125.02417	1.9
133.01436	100.0
134.01793	3.1
134.03818	2.1
135.01834	7.7
135.04526	25.8
151.65329	1.8
159.50261	1.9
163.14786	1.7
179.03499	22.5
180.03912	2.5
181.04173	2.6
185.39194	2.2
295.04367	2.5
525.67267	2.4
560.46051	2.2
595.13855	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	593.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20883	3.4
56.08378	3.5
57.03453	3.9
59.01376	100.0
61.98829	25.3
65.02543	3.0
67.63939	3.7
70.73351	8.5
71.01382	19.1
73.02935	7.2
84.24411	3.4
85.02956	8.4
89.02447	9.9
97.26945	4.4
101.02427	11.1
111.02813	3.2
113.02442	11.5
122.09080	3.9
156.17285	3.4
226.60158	3.6
284.03268	4.1
285.04056	5.1
289.52859	3.6
344.94595	3.3
489.34323	41.5
504.52090	3.7
507.35449	22.2
536.32703	4.0
593.15076	9.6
593.24872	3.9
593.35071	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	594.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	14.3
61.98828	100.0
68.69629	0.7
71.01386	3.5
71.05575	2.0
73.02937	1.0
75.00875	1.3
78.93139	0.8
83.01389	0.9
85.02950	0.9
92.06396	0.9
98.19756	1.0
101.02446	2.5
113.02452	1.5
133.01430	1.0
133.02946	2.7
175.03987	40.1
176.04352	1.0
201.01906	12.8
225.48357	0.9
337.09229	3.2
381.03223	1.8
381.08167	17.7
382.08731	0.9
489.34384	2.9
490.34412	2.3
508.35260	1.4
534.76526	1.0
550.32904	1.6
594.30438	2.5
595.37585	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	593.273
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.4
64.95290	0.6
70.51086	1.4
78.95902	82.6
84.41740	0.5
84.48157	0.6
96.96956	13.6
121.02996	0.6
150.98062	1.3
152.99577	100.0
153.99910	0.9
171.00687	3.0
223.00125	11.0
233.22882	0.5
241.01175	30.9
259.02237	1.8
277.21701	53.3
278.22144	2.2
315.01205	1.1
315.04865	18.6
413.20999	1.4
524.90448	0.6
593.27289	86.3
594.27551	8.4
601.85315	0.6
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
53.02888	0.5
59.01367	1.6
62.96402	0.6
71.26978	1.0
78.95901	78.5
96.96954	16.7
130.62265	0.6
134.98595	0.8
150.55640	0.6
150.97902	0.7
152.99582	62.6
164.10608	0.6
168.00655	0.5
223.00136	2.3
241.01175	36.2
242.01430	1.1
277.21704	55.6
278.22125	2.6
315.04904	11.1
333.06128	0.8
384.56723	0.7
413.21085	9.3
593.27289	100.0
594.27399	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	593.3176
Annotation	Murrafoline
Peak:m/z	Relative Intensity
52.25587	0.3
55.01876	0.6
57.03447	1.8
58.00599	0.6
59.01378	36.7
60.01696	0.5
61.98833	1.0
69.03456	0.7
71.01381	12.5
71.05020	0.5
72.99313	0.9
73.02944	53.7
74.03304	0.5
75.00880	0.6
81.03465	0.5
83.01391	1.9
83.05027	0.9
85.02950	5.2
85.35415	0.3
87.00880	1.3
87.04523	0.5
89.02435	5.6
95.01393	1.0
97.02943	0.5
97.06603	0.4
98.95492	0.3
99.00884	1.4
99.04506	0.6
101.02440	8.8
109.06602	0.6
113.02450	5.6
119.03509	1.7
125.02424	0.8
125.09740	0.3
129.09238	0.6
131.03528	0.3
135.04489	0.5
137.09732	0.4
139.07645	1.0
141.09207	0.8
143.03510	0.7
143.10640	0.3
151.00426	0.8
151.11327	0.5
155.10844	0.7
159.02989	0.4
161.04552	1.1
169.12306	0.7
171.10257	0.5
182.25520	0.3
196.27324	0.3
209.15428	0.4
211.03984	0.5
225.16075	1.4
227.03595	0.4
227.07143	1.3
255.02875	0.7
259.19104	2.5
259.74982	0.4
271.19183	0.5
279.19678	0.6
284.03268	0.9
285.04010	0.8
287.05676	0.6
297.20691	0.7
301.20230	1.1
315.21765	1.2
341.23236	0.3
367.27005	0.5
370.42737	0.3
371.24344	0.8
389.25479	1.6
400.33804	0.3
403.23199	2.0
421.24380	1.2
423.23819	0.6
433.24173	0.4
436.36206	0.3
441.24835	2.6
451.32742	1.9
459.25940	5.5
473.74008	0.4
477.27057	2.7
515.20111	0.4
515.28583	1.5
519.28137	0.6
533.21387	0.5
533.29724	2.9
534.30621	0.4
549.28925	2.6
551.30811	1.8
563.21271	0.3
575.30426	2.2
578.85706	0.3
593.31732	100.0
594.32050	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	593.2639
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
59.01378	6.8
61.78182	1.2
61.98833	43.4
70.21632	1.4
71.01389	8.3
71.19802	2.2
73.02953	1.3
78.98583	5.3
79.95294	1.9
79.95741	33.9
80.96519	58.7
85.02953	3.8
87.00851	3.1
94.98104	12.9
96.95994	1.9
101.02441	2.5
106.98081	2.0
118.67377	1.3
121.02903	2.1
122.97562	3.8
125.02406	3.3
134.97575	3.3
136.99147	1.5
148.99144	4.1
152.98605	4.8
161.04515	1.8
164.98636	9.6
206.99652	3.2
225.00769	13.7
227.59131	1.1
241.00238	2.2
284.03094	2.0
285.03949	2.8
299.04379	3.2
341.05405	1.3
371.06329	2.5
384.61304	1.3
385.07855	2.0
413.11240	2.3
495.19196	2.7
593.26318	100.0
594.26959	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	593.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.3
59.01377	10.7
61.98829	6.6
63.07016	0.7
69.35851	2.6
69.36282	3.4
71.01353	3.8
73.02946	13.3
75.00872	1.1
85.02944	1.6
87.04515	3.2
88.22874	0.8
88.98785	1.7
89.02441	2.6
93.03454	1.0
95.01380	0.9
95.05001	1.5
97.02955	2.6
97.06586	13.2
99.04491	0.9
101.02439	2.5
107.05013	0.8
109.06586	1.3
111.04508	2.7
113.02438	2.5
115.04010	1.4
119.03498	0.8
121.02944	1.5
121.06559	3.8
123.04523	8.0
125.02405	1.1
135.00891	2.3
135.04518	1.1
139.07660	3.4
141.05566	12.7
145.02934	1.7
146.03711	2.4
153.01918	0.8
153.05624	0.9
153.09221	1.7
155.78487	0.7
161.02380	1.8
165.05521	2.4
171.10242	1.0
173.02422	25.1
173.03902	1.5
174.03207	82.6
175.03928	4.6
179.30948	0.7
183.06560	2.6
189.01907	3.2
189.05562	44.7
190.05869	1.2
195.10216	1.3
215.09186	8.2
218.02203	3.7
233.04530	100.0
234.04836	4.1
257.10199	1.5
284.03333	1.3
285.07581	1.7
299.11462	1.6
341.12418	0.8
359.13440	15.8
440.84018	0.8
521.11798	0.8
549.32501	1.7
593.18640	16.9
593.31049	3.5
594.18958	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.188
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57150	0.5
57.03445	2.3
58.00580	0.6
59.01379	15.3
61.98833	4.2
67.01908	0.8
69.03456	0.5
69.63162	0.5
70.36133	1.7
70.42474	0.5
71.01377	6.9
72.86671	0.6
73.02946	17.8
75.00888	0.6
78.04393	0.5
83.01405	0.9
85.02966	3.5
87.00887	1.4
87.04517	1.7
88.98803	0.9
89.02457	2.1
95.05052	1.4
97.02959	1.6
97.06589	10.6
99.04532	1.4
101.02439	4.5
109.06611	0.8
111.04498	1.1
113.02444	2.0
117.03456	2.5
119.05049	0.6
121.02940	0.8
121.06585	2.2
123.04557	4.1
125.02455	1.4
127.11445	0.5
133.01488	0.8
135.04558	0.7
139.07704	1.7
141.05606	10.0
141.06679	0.9
143.93309	0.5
145.02965	2.5
146.03757	2.2
146.89182	0.6
147.04617	1.0
153.05569	0.9
153.09261	2.5
155.03293	0.5
159.04565	0.8
161.02512	1.4
161.06117	1.7
163.04033	1.2
165.05588	1.6
165.67613	0.5
171.10332	0.9
173.02431	17.6
174.03221	100.0
175.03842	4.5
177.01933	1.2
183.06593	1.6
189.05574	95.2
190.05907	3.5
191.03452	0.6
199.09734	0.6
201.01942	40.6
202.02348	1.7
205.05066	1.6
207.79968	0.5
211.03999	0.8
215.09247	9.8
215.12746	0.5
226.28734	0.5
227.07138	1.8
233.04544	87.1
234.04886	2.7
257.10370	2.5
284.03278	0.8
285.04092	1.1
287.09192	4.9
299.11371	1.1
301.20273	0.8
312.12390	0.7
317.12448	2.3
329.23199	1.1
345.22763	1.7
359.13477	11.8
371.24307	2.5
389.25369	2.7
489.30795	0.9
533.29535	3.2
549.29712	1.1
551.30560	2.8
593.18604	5.5
593.31738	26.7
594.32153	1.6
613.85974	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50217	0.5
57.03427	0.6
58.00574	1.6
59.01377	45.0
61.98810	1.5
65.00287	1.3
69.03436	1.6
69.40527	3.4
69.40947	1.4
71.01016	0.6
71.01379	9.2
72.49438	0.7
72.66655	0.6
72.99287	2.1
73.02956	3.5
78.09895	0.6
79.01868	1.8
80.02660	0.9
81.03433	2.2
83.01384	1.1
85.02954	4.8
89.01956	0.7
89.02450	7.7
91.01895	18.4
95.01356	1.8
97.02912	1.9
101.02434	6.0
103.04010	6.1
107.01405	4.8
107.04990	1.2
108.02176	24.4
108.02913	1.3
109.02961	7.2
113.02459	0.9
119.03505	3.1
121.02934	1.4
123.00875	7.7
124.01659	1.3
125.02316	0.7
127.04061	0.9
133.02936	0.8
135.00890	16.5
135.04364	0.5
136.01637	0.7
137.02434	4.0
145.02856	0.6
149.02385	2.0
151.00331	3.5
152.01154	19.5
163.04008	0.7
163.06116	1.9
169.06534	0.8
169.23445	0.6
177.01860	1.7
192.70978	0.6
196.87628	0.6
197.06100	1.9
201.01878	0.8
213.05510	1.5
215.07150	1.2
227.03575	1.4
242.05771	5.9
243.06599	100.0
244.06895	4.5
255.03006	4.1
256.03592	0.6
283.02505	1.5
284.03204	5.0
285.04044	3.5
285.07352	1.1
289.97934	0.7
306.69556	0.6
387.10736	6.9
429.12048	1.1
447.13351	4.5
533.16608	5.3
534.17004	0.8
549.33691	1.1
551.17749	11.3
593.18872	54.0
593.34436	1.6
594.19403	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	593.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.5
57.60208	0.6
58.08897	0.6
59.01380	13.3
61.98832	4.0
62.05378	0.5
67.01902	0.9
69.61592	3.2
71.01370	4.0
73.02946	16.8
73.25214	0.6
75.00854	0.9
83.01398	0.6
83.05013	0.5
84.28009	0.5
85.02953	2.2
87.00858	0.8
87.04528	1.9
88.98813	0.6
89.02431	1.5
95.05025	0.6
97.06586	10.7
99.00853	0.7
101.02426	3.6
108.83440	0.6
111.04515	0.8
113.02451	1.9
117.03487	2.5
119.03494	0.6
121.06594	2.1
123.04533	4.2
125.02435	0.8
125.18209	0.5
133.02936	0.7
136.56979	0.5
139.07642	0.8
140.53148	0.5
141.05569	7.5
145.02960	2.2
146.03726	1.7
147.04478	1.2
149.02473	0.6
153.05478	0.6
153.09216	2.1
159.04454	0.8
161.02454	2.2
161.06099	2.0
163.04008	1.1
165.05518	1.2
171.10248	1.2
173.02434	19.3
174.03207	100.0
175.03705	4.8
183.06584	1.6
185.11813	0.9
189.05560	87.0
190.05905	2.8
201.01924	39.1
202.02242	1.3
205.05029	2.0
210.61575	0.7
211.04071	1.0
215.09238	10.4
227.07143	1.6
233.04533	87.6
234.04840	3.7
257.10248	2.9
266.47986	0.6
284.03052	0.7
285.04013	0.6
287.09134	4.3
299.11395	0.6
301.20319	1.0
317.12381	1.3
329.23190	0.7
345.22678	1.2
359.13419	10.1
371.24280	1.5
389.25256	2.9
489.00479	0.7
489.30615	1.0
533.29211	2.6
549.29291	1.4
551.30896	2.6
593.18561	6.1
593.31738	26.8
594.32507	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07327	0.3
57.03434	0.3
63.02395	0.8
65.00334	0.5
65.32811	0.3
68.71879	0.3
69.48605	0.3
70.64739	0.6
70.65097	0.8
75.21874	0.3
82.47647	0.3
83.01415	0.4
88.83473	0.3
91.01886	0.4
93.03448	1.4
107.01384	3.0
109.02910	0.6
117.03429	0.5
120.95687	0.3
125.02413	0.6
132.02190	0.7
135.00891	1.6
143.05022	1.1
146.43283	0.3
151.00357	2.9
153.01976	0.8
157.06639	0.4
158.03731	0.4
159.04512	1.0
163.00377	3.2
164.01091	0.6
165.01950	0.4
167.04976	0.6
169.06560	0.8
171.04517	0.8
174.03349	0.5
183.04521	1.4
185.02400	0.5
185.06065	2.5
187.03993	3.9
189.05576	1.0
190.99869	0.4
195.04509	0.7
197.06091	1.3
199.03983	1.5
200.04704	0.5
201.05545	0.5
211.04008	2.7
212.04668	0.4
213.05502	2.6
214.02725	0.6
227.03485	34.5
228.03940	1.5
229.05038	13.9
230.05499	0.5
239.03554	2.2
240.04298	0.7
241.05090	2.0
255.02977	58.8
256.03571	5.7
257.04556	8.0
267.02982	1.0
284.03247	65.9
285.04007	100.0
286.04349	4.0
327.05276	0.9
518.75104	0.4
593.15070	92.8
594.15326	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	593.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49077	0.3
59.01370	0.8
63.02386	0.9
65.00330	0.4
70.73595	0.9
72.02158	0.3
83.01390	0.6
85.02963	0.3
88.69128	0.3
91.01894	0.5
92.96822	0.2
93.03460	1.5
96.80811	0.2
107.01389	2.1
109.02946	0.8
117.03453	0.6
125.02405	0.3
130.04250	0.3
131.05061	0.4
132.02167	1.1
133.01389	0.3
135.00902	1.7
137.36812	0.2
141.07022	0.3
143.05014	1.1
144.70424	0.3
145.02983	0.4
145.06592	0.3
151.00372	2.4
153.01921	0.4
155.05035	0.5
157.06590	0.8
159.04552	1.7
163.00372	2.3
164.01109	0.4
165.01900	0.4
167.05070	0.7
169.06566	0.7
171.04486	0.8
178.99834	0.6
183.04460	0.9
185.02509	0.3
185.06084	2.7
187.03999	2.7
189.05573	0.8
190.99858	0.4
195.04538	0.9
196.05336	0.3
197.06078	1.5
199.03943	1.0
200.04785	0.5
201.05501	0.8
211.03987	3.2
212.04686	0.6
213.05518	2.0
215.03493	0.5
217.04913	0.3
223.04095	0.5
226.02824	0.4
227.03485	34.4
228.03944	1.9
229.05043	13.2
230.05316	0.3
239.03389	1.7
240.04213	1.2
241.05000	1.9
243.02835	0.3
247.98602	0.3
255.02975	61.7
256.03616	6.4
257.04538	8.0
258.04922	0.4
260.71393	0.3
267.02820	1.2
283.02341	0.5
284.03253	69.4
285.04016	100.0
286.04346	4.7
327.05151	1.1
593.15076	98.0
594.15405	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	593.1508
Annotation	Orientin 7-O-rhamnoside
Peak:m/z	Relative Intensity
59.01380	7.3
71.01379	3.0
72.99306	1.0
73.02930	1.2
85.02937	1.3
87.86254	1.0
89.02464	1.0
89.08701	0.7
91.55229	0.8
98.19885	2.4
101.02444	1.1
106.03640	0.8
115.00387	2.5
121.02983	1.5
131.01387	1.1
133.01424	3.1
133.02969	7.8
134.03731	3.4
135.04498	2.1
161.02411	1.7
163.00400	3.5
165.01900	1.8
175.00333	2.0
175.04002	1.4
177.01920	1.5
193.05112	0.8
201.01918	1.5
211.03879	0.8
213.09248	2.6
225.05579	1.6
227.24620	0.8
229.12230	1.6
241.04857	1.3
253.05157	2.4
255.02907	0.9
269.04590	2.9
270.05307	1.4
273.11227	1.4
280.28522	0.9
281.04453	1.4
282.05313	1.0
283.06158	1.6
284.03256	3.8
285.04019	9.2
297.04041	18.3
298.04807	77.0
299.05383	9.7
309.04034	21.2
310.04437	0.9
311.05478	5.3
317.10367	2.4
324.02896	1.0
325.03506	3.3
326.04303	3.4
327.05072	23.4
327.08978	1.6
330.03741	5.2
337.03357	1.4
338.04327	3.2
339.05069	6.6
341.06586	1.3
351.05002	1.6
353.03009	2.2
355.04474	1.7
356.05121	0.9
357.06161	11.4
361.09341	2.9
369.06174	2.3
371.07739	1.1
429.08267	14.8
430.08371	1.2
431.09778	3.3
447.09573	1.0
473.04092	1.9
473.10858	33.0
474.11185	2.4
503.11938	1.6
575.14191	1.1
593.15100	100.0
594.15552	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	593.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39933	0.2
59.01376	0.4
69.51186	0.7
69.51600	0.5
70.88587	0.2
75.21365	0.2
77.03994	0.5
80.96519	0.6
91.01913	0.3
93.03458	0.3
95.83361	0.2
97.54845	0.2
104.28564	0.2
120.02135	0.8
121.02963	100.0
122.03291	1.9
122.91941	0.2
136.01692	0.5
140.83081	0.1
165.01938	4.7
165.04083	0.2
180.05804	0.5
181.05095	0.3
181.06570	2.3
197.06116	1.7
199.07628	0.2
207.04483	0.9
207.08247	0.4
209.04553	55.8
210.04865	1.2
222.65907	0.2
223.04013	0.3
225.05582	1.7
255.03064	0.2
257.09805	0.5
286.43848	0.2
313.07162	1.6
329.08316	0.2
335.80069	0.2
354.15479	0.2
357.06009	1.0
383.07562	0.9
401.08774	0.3
417.09772	1.1
505.11475	2.7
549.10376	6.7
550.11078	0.4
593.13062	9.3
593.26099	0.6
594.13239	0.7
618.22357	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85257	0.5
59.01382	1.3
61.98834	100.0
65.34116	0.4
70.25475	0.5
71.01389	0.7
71.29643	0.9
80.96526	1.0
81.80025	0.4
94.98141	0.5
97.30555	0.5
121.02970	1.6
150.73993	0.4
165.01962	1.5
175.04707	0.4
184.34253	0.4
221.27415	0.5
534.83557	0.6
563.02576	0.5
593.26782	1.8
602.00372	0.5
609.52716	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.6
61.98833	100.0
69.20352	2.3
82.35027	0.2
98.20714	0.5
132.52559	0.2
184.92554	0.2
285.04156	0.3
294.39618	0.3
304.37653	0.3
359.87888	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03138	1.2
57.03439	3.1
58.00583	1.5
59.01379	75.0
60.01707	1.3
61.98820	4.6
62.25360	1.4
69.03449	2.7
71.01384	33.3
71.96414	1.4
72.99303	2.0
73.02945	66.1
75.00846	1.4
83.01380	6.3
85.02962	12.4
87.00871	3.9
89.02444	14.3
93.03464	1.8
95.01385	3.4
96.96040	7.2
97.06600	1.4
98.20700	2.1
98.95569	5.4
99.00864	2.8
99.04515	3.1
99.92592	14.2
101.01801	1.9
101.02438	26.2
113.02459	15.7
115.92068	14.1
116.92861	75.8
117.92835	1.9
119.03497	5.0
120.45049	1.3
124.42808	1.5
125.02457	2.7
129.09280	1.4
131.03448	1.6
137.02461	1.7
143.03467	2.9
147.00871	1.6
149.04552	2.0
149.26257	1.4
154.52914	1.4
155.10815	1.3
159.04504	1.9
160.05312	2.0
161.04544	6.0
163.00340	4.0
170.70665	1.4
175.00362	2.0
179.05638	1.7
184.91852	2.3
189.05591	1.9
190.06470	2.0
205.08638	1.9
227.03461	4.7
228.04187	1.8
229.05103	1.7
239.03505	3.4
240.04263	2.4
241.05168	1.7
255.03021	10.4
256.03714	5.3
267.02945	4.1
277.51465	1.7
283.02509	6.2
284.03256	9.4
285.03979	13.7
312.02731	38.0
313.03394	11.3
315.21692	1.8
344.05545	1.6
345.05945	2.7
371.14923	21.9
371.24197	4.3
389.25497	5.9
459.26056	5.7
477.27148	3.1
489.05008	3.5
489.27139	2.1
507.06152	2.4
515.28510	4.2
517.09851	25.5
518.10028	1.8
531.79639	1.6
533.20239	4.2
533.29498	7.1
548.27942	1.8
549.12628	10.1
549.28864	11.2
551.30573	3.7
575.31055	2.7
593.05920	8.3
593.15399	11.5
593.31750	100.0
594.32147	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	592.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.2
59.01382	2.6
61.98829	100.0
62.69436	0.2
71.01378	1.3
71.40896	0.2
71.50309	0.5
73.02950	0.8
85.02961	0.2
89.02467	0.3
96.96027	0.3
97.94962	0.2
99.04528	0.3
101.02453	0.7
107.99551	0.2
110.79790	0.2
113.02435	0.6
115.00385	1.0
122.95553	0.2
133.01437	1.2
133.02946	0.4
134.01726	0.2
135.04556	1.0
135.48364	0.2
151.00368	0.4
160.43289	0.2
161.88019	0.3
170.83092	0.2
172.00856	0.3
174.01762	0.3
176.15720	0.2
179.03511	0.6
227.03450	0.4
252.62682	0.3
255.03055	0.7
257.79257	0.3
284.03265	5.6
285.04028	6.3
285.07135	0.4
300.02817	0.4
310.71216	0.3
548.28241	0.4
593.15051	6.8
593.30316	0.3
605.50885	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46537	0.3
61.98856	0.4
67.91063	0.3
105.74945	0.3
106.06604	0.6
106.33303	0.3
108.33585	0.3
111.97083	0.3
116.67070	0.2
128.43221	0.3
137.55463	0.3
144.01138	0.3
151.05168	0.3
160.08043	0.3
161.04860	0.4
180.54552	0.3
214.02731	0.3
277.12119	0.3
396.17166	0.6
416.20108	0.3
429.16571	0.3
429.21548	0.4
443.23041	1.8
444.19513	0.6
445.19550	1.9
447.25571	0.4
455.22418	0.9
456.23343	0.6
457.20450	1.1
458.21204	0.5
459.21692	2.3
461.23499	0.3
467.18628	0.4
471.21103	1.4
471.25800	2.3
472.23547	1.6
473.23602	1.3
476.18909	0.4
481.20416	0.4
482.21176	1.3
483.21719	0.4
484.19354	0.4
485.19894	1.6
486.20724	0.3
487.25397	3.6
489.22775	0.4
497.23483	3.8
498.23779	0.5
499.21472	3.8
500.22208	12.4
501.22897	1.4
504.21503	0.5
513.23102	0.8
514.23462	1.0
515.24536	100.0
516.24854	13.3
518.23309	0.9
519.24139	0.8
559.23450	4.6
560.23798	0.7
591.25952	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	4.2
59.01382	100.0
61.98827	8.4
64.58599	2.5
68.37399	3.5
70.28616	5.4
70.28969	7.1
71.01379	16.6
71.44797	2.7
73.02963	8.0
83.01395	4.3
84.46528	2.4
84.57663	2.9
85.02934	13.2
88.98808	2.2
89.02437	7.8
98.20568	3.1
99.00891	3.5
101.02431	9.9
108.02197	2.6
109.02982	4.1
113.02435	9.6
116.92896	13.4
126.74704	2.5
135.04482	3.9
135.11783	2.8
142.06229	2.5
153.74562	2.5
159.04494	3.0
163.11325	3.5
179.03551	5.2
185.15504	2.7
201.01953	9.3
211.13315	3.0
249.10999	7.2
292.10742	2.8
341.08020	3.9
410.84515	2.8
487.32727	40.7
492.89453	3.2
505.33887	20.0
591.27173	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	591.2615
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
54.59376	0.5
70.98313	0.5
70.98686	0.8
82.05084	0.5
84.33237	0.5
95.76949	0.4
106.06579	0.7
127.89909	0.4
148.36571	0.5
366.12204	0.5
366.31659	0.5
396.17392	0.5
443.22382	2.0
445.20401	1.5
455.22385	0.6
456.23328	1.4
458.20581	0.7
459.21838	3.1
471.21448	1.9
471.26080	1.8
472.22614	2.0
473.23312	1.2
482.21152	1.4
485.19711	1.3
487.25690	2.9
497.23520	3.1
499.21381	3.9
500.22198	10.9
501.23306	0.9
503.21198	0.6
513.22839	0.7
514.24341	0.5
515.24530	100.0
516.24878	11.8
519.23932	0.8
547.27380	0.6
559.23395	4.6
560.23657	0.5
565.69537	0.5
572.55713	0.6
591.26123	0.6
597.21490	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41471	0.7
53.95178	0.7
55.91545	0.7
57.03439	1.9
59.01377	21.4
59.93116	0.7
61.98833	3.8
70.68198	0.9
70.69219	0.7
71.01372	6.6
71.50756	0.9
73.02943	5.7
83.01382	4.7
85.02941	2.7
87.04524	0.9
89.02454	1.4
101.02464	5.1
101.52148	0.7
102.04796	0.8
103.05543	3.5
107.91478	0.9
113.02428	2.2
115.00391	1.5
121.02937	1.0
121.06586	0.8
122.87460	0.7
125.02380	1.0
125.06045	1.1
130.04236	17.1
131.04985	1.2
133.01456	0.9
135.04500	1.7
137.09708	0.8
139.11267	4.8
149.06076	9.8
159.04509	100.0
160.04842	2.6
161.04659	0.8
165.09143	1.2
169.12297	1.7
172.55537	0.7
175.04045	1.9
179.03516	1.6
179.10738	1.5
181.12326	2.6
183.10260	9.3
190.33914	0.9
197.11748	1.6
201.01901	1.3
203.03485	67.5
204.03885	1.5
225.11295	10.0
226.90546	0.8
232.98949	0.8
243.12376	9.8
249.11272	1.8
267.12372	0.9
285.13309	1.7
291.12378	1.6
309.13242	1.2
325.27075	0.8
327.14407	5.0
369.26401	0.8
387.16595	10.6
530.34821	0.9
547.31128	3.4
591.20758	17.9
591.33258	3.0
592.21259	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	591.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.9
59.01378	10.5
61.98819	1.2
67.71183	0.3
68.99564	5.1
69.03442	0.4
69.62172	1.1
69.62572	0.7
71.01380	2.9
71.07122	0.3
72.99310	0.4
73.02940	2.5
78.71246	0.3
83.01387	1.3
85.02953	1.1
87.00845	0.5
88.98793	0.5
89.02469	0.8
91.01913	0.4
96.96018	0.4
99.00908	0.3
99.04521	1.2
101.02451	2.7
102.04760	0.4
103.05537	2.0
106.03808	0.4
109.02915	0.5
110.07706	0.3
112.98570	4.7
113.02442	1.2
115.00348	0.6
119.03481	0.4
120.51372	0.3
121.06566	0.3
125.02437	1.3
130.04242	9.5
131.05005	1.1
133.01450	0.5
135.00845	1.7
135.04520	3.8
137.09674	0.4
139.11266	1.7
143.03503	0.4
149.06073	5.4
153.01924	0.8
159.04506	100.0
160.04854	3.5
161.04602	0.3
161.06087	0.4
163.11304	0.4
165.09196	0.4
169.12366	0.4
171.10255	0.4
174.03174	0.7
177.01923	0.4
179.03519	2.5
181.12326	1.1
183.10286	3.4
197.11855	0.4
199.13371	0.5
201.01930	1.1
203.03496	41.5
204.03819	1.7
206.02342	0.4
225.11330	2.9
226.11673	0.4
229.08681	3.5
230.09004	0.4
243.12323	4.9
267.12393	0.4
271.09631	0.5
285.13504	1.1
291.12271	0.6
295.10883	0.5
309.13519	0.4
321.06198	0.5
326.00708	1.5
327.01398	0.5
327.14279	0.8
339.07248	0.4
345.15677	0.5
359.07513	0.5
386.02859	1.4
387.16641	3.9
440.79791	0.4
475.15207	1.5
505.09341	0.6
547.31537	2.2
591.10303	0.5
591.20898	6.9
591.30914	1.4
592.21490	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	25.8
61.98837	49.0
62.39181	5.6
71.01381	14.9
74.06238	6.2
75.00880	100.0
76.01215	8.6
78.95905	12.5
80.02464	6.7
85.02953	8.2
91.48488	6.2
115.00349	6.4
115.51935	8.2
124.07913	5.7
152.99564	12.5
226.78427	6.5
229.57919	7.2
262.60916	6.5
276.00061	5.9
277.21692	74.3
505.25888	47.4
527.28821	43.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	22.8
61.98832	93.0
66.59104	4.5
71.01377	20.7
71.29849	6.8
71.30193	4.1
72.69704	4.1
72.99300	5.1
75.00878	14.8
78.95926	4.8
85.02938	21.9
87.00903	8.1
89.02448	7.3
92.81458	4.5
113.02433	13.8
115.00378	7.7
135.30501	4.6
136.67447	4.0
152.99564	7.6
183.29971	5.0
249.06180	5.5
277.21701	56.1
340.14096	4.6
428.87766	5.1
505.25513	12.4
527.28607	100.0
528.28967	11.2
534.23285	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	589.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30602	0.4
58.28168	0.6
59.01375	1.6
61.98857	0.9
72.99310	1.6
74.02488	0.8
75.00874	100.0
76.01197	0.7
78.95921	0.6
79.43665	0.4
91.14995	0.5
97.55343	0.5
107.12782	0.4
135.04459	0.7
136.18941	0.4
152.99622	0.5
229.32120	0.5
254.08852	0.5
261.79828	0.4
277.21823	1.4
299.29626	0.5
315.10110	0.4
505.25760	0.8
509.57657	0.4
596.43988	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31134	0.3
55.60968	0.2
59.01357	0.3
61.98804	0.2
72.99304	2.3
74.82133	0.2
75.00871	100.0
76.01200	0.4
82.69585	0.2
277.21652	0.8
431.07706	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31904	1.5
57.03452	2.9
57.44824	1.6
58.24674	1.7
59.01379	100.0
60.01705	1.6
61.98826	4.8
67.92181	1.7
70.65145	4.7
71.01376	28.7
72.08147	1.4
73.02935	12.6
83.01392	5.1
83.05000	1.8
85.02962	11.8
87.00861	2.2
88.98793	1.9
89.02451	8.9
95.01382	2.5
99.04478	3.1
101.02454	12.7
113.02438	11.2
115.00387	2.1
119.03526	3.2
133.01408	4.6
135.04512	3.9
143.03522	2.6
147.22932	1.6
148.49818	1.5
159.04497	14.7
161.04559	5.0
177.01897	2.4
179.03510	3.5
201.01877	2.2
203.03464	8.9
236.63651	1.7
340.58112	1.9
467.29654	2.6
485.31091	16.7
503.32248	9.5
529.33228	5.2
545.30493	2.4
547.34845	2.3
566.91852	1.6
589.32843	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	589.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16523	1.2
52.77674	1.0
55.01857	1.1
59.01377	100.0
60.01732	1.3
61.98832	7.0
69.03459	3.3
70.48608	2.0
70.48972	2.4
71.01379	47.4
72.99302	2.2
73.02943	61.1
79.25349	1.1
83.01388	17.0
85.02948	5.3
87.00867	1.8
89.02448	13.2
95.01407	1.6
96.96020	2.2
99.00867	1.6
99.04505	2.2
101.02438	54.1
109.02961	2.1
113.02448	15.3
115.00368	18.4
119.03510	8.0
121.02970	3.9
125.02426	3.1
131.03503	4.8
131.43710	1.0
133.01427	38.4
133.02962	3.8
134.03665	1.7
135.04515	11.3
143.03491	4.6
146.06099	1.7
149.04565	10.9
155.03520	2.7
159.04492	3.0
161.02400	3.6
161.04552	19.4
164.04858	1.1
175.14861	1.3
177.01906	1.2
179.03508	6.5
181.05032	1.0
185.00821	1.4
190.05154	2.6
192.02689	1.1
203.03516	1.9
203.05449	2.4
203.14369	5.6
210.52739	1.5
211.07585	1.3
221.06651	8.4
223.07579	1.3
224.04877	1.2
233.15411	9.9
239.07253	1.7
245.15469	4.2
249.08716	1.8
251.07068	3.3
255.10197	1.5
267.06689	5.5
269.08105	5.5
287.16479	1.6
293.04547	2.8
295.06134	8.6
311.05652	1.2
313.07242	4.4
324.10010	1.2
339.05060	54.5
339.12317	5.2
340.05365	5.2
357.09692	1.3
365.10126	2.1
427.10495	1.4
427.16077	2.1
455.06256	1.4
545.09222	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60054	1.1
51.23078	1.3
53.10072	1.3
53.14591	1.2
58.00605	2.6
59.01382	100.0
60.11092	1.5
64.34457	1.1
69.03448	1.8
69.23476	2.4
69.23876	9.6
71.01388	30.6
72.54569	1.3
72.99310	1.3
73.02951	48.5
77.47176	1.2
83.01390	13.7
85.02962	4.9
89.02454	10.3
101.02447	50.6
105.01833	1.6
113.02454	20.0
115.00365	1.8
119.02780	1.3
119.03511	8.1
119.04990	3.1
125.02496	1.9
131.03516	5.3
133.01416	3.0
135.04543	3.5
143.03511	4.8
143.38788	1.3
149.04576	13.0
155.03476	1.4
161.02475	1.6
161.04565	23.7
163.04065	2.1
175.14905	1.7
177.01837	1.8
179.03508	3.7
203.05592	2.3
221.06628	7.9
233.15469	15.1
245.15565	1.5
287.16476	1.7
318.07724	1.4
393.42609	1.5
455.22842	4.7
509.24789	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	589.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.0
58.00594	3.3
59.01382	100.0
61.98830	1.1
67.24288	1.2
69.03446	2.5
69.37302	9.0
69.88812	0.9
71.01387	32.5
73.02950	56.3
83.01390	14.8
85.02956	5.1
87.00903	2.0
89.02448	9.8
89.25552	0.8
95.01398	1.8
101.02451	54.1
102.02792	1.0
104.69112	1.0
113.02460	16.2
115.00372	1.6
119.03526	6.4
125.02457	2.7
131.03546	5.3
133.01424	1.9
135.04495	2.5
137.02489	1.3
143.03490	6.0
149.04564	10.4
155.03461	1.5
159.04482	1.6
161.02478	1.5
161.04570	21.8
162.04910	1.2
163.04039	1.1
174.96431	1.1
175.14925	1.6
177.01909	1.7
179.03436	1.4
184.55006	1.0
203.05641	2.9
207.78580	1.0
221.06590	6.9
233.15504	13.9
236.86005	1.3
242.50145	0.9
245.15495	1.0
307.58298	1.0
368.56549	1.1
455.22897	4.0
545.26215	1.9
589.15948	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	589.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	0.5
59.01369	3.9
61.98819	0.7
69.45676	1.7
69.46101	1.8
71.01378	23.5
72.99290	3.5
73.02934	1.2
87.00850	0.5
89.02435	2.3
96.96021	1.1
98.20627	1.0
100.08192	0.4
101.02435	1.3
109.02941	4.0
113.02443	0.8
115.00366	55.5
119.05021	1.1
121.02943	0.6
123.04506	0.6
129.01939	1.0
133.01421	100.0
133.03012	3.8
134.01773	1.1
134.03726	0.7
135.04523	4.2
136.04761	0.4
136.87253	0.5
137.02464	0.8
147.04562	0.7
149.06059	0.4
159.04494	1.3
161.02428	0.7
161.04562	0.7
163.03972	0.7
177.01952	1.4
178.02696	0.5
179.03523	2.9
203.03563	0.9
211.03958	1.1
212.04562	0.7
213.05539	0.6
219.06291	0.5
225.05501	0.7
229.81422	0.5
239.03392	0.8
240.04274	4.1
241.05029	23.0
242.05356	0.7
251.07263	1.0
253.04991	1.4
255.10170	1.1
267.06528	2.4
269.08212	4.8
295.06036	2.1
313.07120	2.6
313.10699	0.9
339.05161	3.2
339.12381	1.7
343.08258	0.8
357.06137	24.7
357.09912	4.6
358.06552	1.0
365.10031	1.1
429.20380	0.8
442.28186	0.5
473.19489	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.6
57.03448	3.2
58.00593	2.1
59.01378	100.0
60.01706	1.8
61.98830	7.5
69.85566	4.1
69.85978	2.4
71.01382	24.9
73.02934	9.5
75.00846	1.6
83.01388	4.0
85.02944	9.2
87.00846	1.6
87.54030	1.3
89.02436	8.4
95.01354	3.0
98.20551	1.7
99.00873	2.5
99.04539	2.2
101.02432	15.3
109.42673	1.0
111.00799	1.1
113.02457	8.2
119.03504	2.2
122.93034	1.2
161.04532	2.1
179.03374	1.4
179.05658	1.1
201.01947	3.2
255.40007	1.2
420.45724	1.2
430.27243	1.1
457.32068	1.7
467.29721	1.1
471.60797	1.1
483.29453	1.4
501.30630	2.3
506.22711	1.5
543.31714	83.1
544.32428	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	588.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03470	1.8
59.01377	15.2
61.98816	1.8
69.27894	10.2
71.01384	6.8
73.02945	7.3
73.04063	4.0
83.02504	6.9
84.00917	1.6
89.02445	1.7
91.43932	1.3
98.20651	3.1
99.02002	11.9
99.04521	1.6
101.02421	4.6
102.02817	1.7
108.02201	1.3
108.55508	1.4
111.01997	7.7
113.02484	2.0
115.00361	1.6
119.03492	1.4
121.02946	3.5
122.03729	3.6
123.04511	1.8
128.04659	2.0
133.02957	3.9
135.04529	2.8
145.02911	2.7
147.03236	4.3
148.04118	7.1
149.02437	3.3
149.04706	3.7
160.04004	3.7
161.02437	57.7
161.04518	3.5
162.03241	28.9
163.04054	7.3
173.02467	3.9
174.01923	4.3
174.03268	1.7
175.02708	8.4
175.04015	3.7
175.08839	1.4
176.03525	100.0
177.03822	3.3
188.03516	7.1
189.01758	1.5
189.04308	3.9
190.05096	9.3
201.01964	4.3
202.05054	1.5
207.89029	1.3
216.03078	12.4
230.03407	2.5
281.12173	1.6
282.05258	3.6
295.11011	2.1
297.12299	1.8
309.12366	1.5
324.13571	2.7
325.11844	3.0
341.11292	3.9
352.13092	14.1
364.12952	1.6
382.14056	4.5
385.10956	2.1
396.12030	23.8
402.13400	2.4
408.11902	2.6
411.12778	1.7
426.13019	6.1
433.88742	1.7
446.12299	3.0
484.22687	4.9
496.14633	2.6
514.16193	4.2
540.13892	7.9
558.15131	94.8
559.15631	13.0
570.15192	3.0
588.16199	60.9
589.16736	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	587.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77578	0.6
59.01371	0.7
61.98840	0.7
63.01517	0.6
71.01379	6.0
71.42109	1.1
82.47038	0.7
95.05006	0.8
101.02378	0.7
105.03454	1.1
107.05032	1.0
115.00375	6.4
116.66472	0.6
119.91331	0.7
133.01399	2.0
133.02966	7.9
134.03729	9.3
135.04520	66.9
136.04822	1.6
137.02440	4.0
139.03986	1.0
161.02426	1.5
177.01868	3.5
178.02699	9.7
179.03487	100.0
180.03857	2.5
189.05678	1.5
248.57935	0.9
277.12222	0.7
280.77725	0.7
293.21204	2.1
309.20721	9.0
409.23831	2.4
427.24847	16.2
471.23907	14.6
590.43713	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39643	3.2
54.55087	3.4
54.55404	2.7
57.03461	8.5
58.74203	3.4
59.01390	47.5
61.98822	8.1
64.89137	3.1
71.01384	14.8
71.05672	4.4
71.76502	3.1
73.02935	6.9
85.02920	4.1
85.25620	3.6
87.00899	4.1
89.02446	10.2
95.76763	3.4
101.02441	7.7
113.02446	4.3
115.00356	6.1
119.03480	3.4
139.11246	7.7
141.55211	3.9
175.02583	4.5
211.13565	3.9
266.92178	3.1
321.24457	5.3
323.25916	6.3
325.35172	4.4
326.00113	4.2
339.25375	100.0
339.29199	6.7
340.25607	3.6
363.25565	7.4
466.86761	4.1
483.23044	5.0
543.31714	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	586.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57951	0.9
57.03471	1.1
57.35426	1.0
58.02975	1.5
59.01379	13.3
61.98837	9.4
69.55800	6.9
71.01381	6.2
73.02953	8.2
73.04072	6.7
74.57126	1.2
82.02990	1.4
82.06621	1.4
83.01420	2.3
84.04558	4.0
87.05632	12.2
89.02447	2.2
95.52650	1.0
96.96006	2.6
97.04080	3.0
98.02474	2.3
99.04530	1.3
101.02448	8.0
102.05615	35.0
109.04060	1.2
110.02436	1.6
113.02446	2.3
115.00336	1.5
115.05131	15.3
119.03562	1.4
125.02473	2.0
126.06731	12.8
128.03551	93.1
129.10362	3.8
130.08748	20.9
133.01428	1.9
134.03796	1.4
135.04512	3.2
140.07214	4.6
144.07794	9.6
146.04611	27.0
150.03186	1.7
153.10333	1.9
154.12325	1.7
155.11928	4.1
161.04543	2.4
165.05530	2.2
168.07785	23.3
171.15001	4.8
174.01651	1.2
182.13011	2.1
183.11374	2.8
186.08846	13.3
191.05600	1.7
193.05118	2.5
197.12900	1.8
199.18227	2.2
207.15016	2.5
215.13956	3.8
225.16066	4.3
243.17024	2.4
252.20740	2.1
270.21881	5.0
284.23514	1.8
314.20779	2.8
327.24088	2.2
328.22391	2.0
369.25140	1.1
389.25287	2.2
399.02039	1.3
399.26248	3.8
413.24069	30.9
414.24164	1.8
443.25143	1.8
449.09073	1.3
457.26733	14.1
458.27325	1.3
483.22339	6.3
498.29364	2.0
542.28351	68.9
543.28851	4.7
568.29828	2.3
586.30957	100.0
587.31531	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	587.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	5.4
59.67771	1.9
70.62376	4.5
71.01385	7.2
93.03437	2.2
96.96009	7.2
98.20039	2.3
98.54237	1.9
101.02393	2.7
103.05555	3.1
108.02190	3.6
109.02928	5.9
115.00375	18.3
116.92841	3.0
119.05006	2.7
123.04532	4.7
126.56062	2.0
133.01436	23.4
133.02962	4.9
135.04520	8.8
136.01634	4.2
147.04532	20.8
149.02391	2.9
150.03195	9.9
151.04004	8.2
164.92682	1.8
165.05560	5.9
173.06102	2.2
177.01920	7.7
179.03491	7.6
189.01938	7.9
190.02699	7.4
191.03506	54.6
195.02870	3.2
195.06612	3.5
201.01852	2.7
203.03508	4.1
211.04028	50.4
211.07608	2.0
219.03003	100.0
220.03340	2.8
227.07191	2.2
231.03014	4.8
232.61514	1.9
239.03514	48.4
243.03044	3.4
249.03914	4.4
265.04947	2.4
267.06613	25.2
282.25970	2.7
293.04575	5.5
311.05637	7.7
319.09579	2.4
321.06277	3.4
337.03537	7.6
355.04462	2.8
381.08307	56.9
382.08731	4.2
411.09293	4.4
543.13513	12.0
556.18140	2.1
587.18976	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	587.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72693	0.8
51.93435	0.7
60.92762	0.7
69.43919	5.4
71.01387	2.1
85.30641	0.8
87.61850	0.8
89.03968	2.0
96.96012	2.2
105.03432	3.5
115.00357	2.5
130.26202	0.7
133.01399	3.6
133.02953	6.5
135.04477	1.4
163.04041	1.7
176.01204	1.3
177.01938	100.0
178.02278	3.4
178.26933	0.9
179.03465	1.2
191.05563	1.8
211.04022	3.2
239.03471	2.0
267.06607	3.3
293.04416	1.1
315.38278	0.8
337.03348	1.8
339.07297	1.5
381.08276	32.7
382.08456	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	587.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15604	0.5
57.03432	2.4
59.01376	66.6
60.01698	0.9
61.98819	2.9
62.89760	0.5
65.00340	0.5
69.27485	4.5
71.01381	4.0
73.02948	1.8
78.95939	0.5
85.02943	1.7
89.02440	1.1
99.00836	0.8
99.04505	2.3
100.04826	0.8
100.72054	0.6
101.02419	1.5
111.30064	0.6
113.02419	1.3
116.92841	0.8
117.03473	3.4
119.04980	0.8
124.10435	0.5
125.02435	1.2
145.02933	1.5
161.04495	0.9
163.03961	1.1
173.02415	2.7
176.03542	0.7
201.01912	100.0
202.02209	3.4
356.02240	0.7
370.00198	0.6
494.99756	0.6
527.32330	0.9
543.31714	1.5
587.31323	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42822	0.3
59.01372	0.4
61.98829	100.0
71.49851	0.4
71.50246	0.4
78.95914	1.8
80.30284	0.3
112.57155	0.3
124.54848	0.3
152.99573	0.9
158.82394	0.3
165.17860	0.4
176.48256	0.4
194.03580	0.3
229.56419	0.3
257.15356	0.4
269.24841	0.8
283.26492	1.4
284.26868	0.4
484.28104	0.4
508.34171	1.3
585.20868	0.5
585.30231	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	6.1
59.01379	100.0
59.95801	2.3
61.98831	63.6
68.72854	2.2
71.01384	36.7
71.50781	3.8
72.99280	2.4
73.02556	4.1
73.02945	65.5
83.01360	3.7
83.05061	2.5
85.02967	12.1
89.02442	16.9
95.01376	3.2
95.05013	5.6
95.41331	2.4
96.95975	6.7
97.06583	13.6
99.04515	5.7
101.02425	25.6
108.02167	4.2
109.02934	3.2
113.02448	21.0
115.00378	4.0
116.92839	7.8
119.03456	6.6
120.52782	2.4
121.06594	2.9
123.04515	20.8
125.02448	6.6
130.04210	3.4
131.03453	3.5
133.01410	6.8
135.04506	8.0
135.08151	3.9
137.02400	3.7
137.09702	4.8
141.05554	7.6
155.10828	12.8
159.04503	33.5
161.04556	6.8
163.03781	4.0
165.05515	3.1
177.01988	2.8
199.09750	6.5
203.03435	9.4
225.01714	12.5
237.07315	3.5
251.09019	4.5
279.08423	2.6
335.01862	5.5
481.28067	3.4
511.11874	6.0
525.30219	5.0
541.21216	3.3
585.16302	12.0
585.29297	74.4
586.29510	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	585.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	18.6
59.01379	100.0
61.98832	5.8
62.36281	1.0
67.34342	1.2
69.31936	5.8
69.32366	4.2
70.97818	1.1
71.01382	20.1
72.99285	1.7
73.02946	9.2
74.61366	1.4
77.71097	1.1
83.01389	3.2
85.02943	8.2
86.63120	1.1
87.00880	2.0
89.02430	9.5
96.96011	3.2
99.04519	23.1
99.92574	1.5
100.04932	1.2
101.02444	17.0
113.02454	7.2
115.92024	1.8
116.84393	1.1
116.92860	8.0
119.03511	3.3
125.02420	10.2
133.01482	1.2
143.03519	1.1
161.04564	2.4
177.01877	2.1
195.17535	1.4
206.47635	1.2
249.11314	1.5
274.45349	1.3
277.25394	1.2
321.24536	1.6
337.23819	2.5
346.00006	1.2
370.92072	1.2
468.39944	1.2
499.28918	1.6
541.30176	62.5
542.30444	5.9
585.16357	1.5
585.27716	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	585.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45810	1.3
57.03451	8.8
58.00587	4.1
59.01379	55.0
60.01720	1.2
61.98828	100.0
62.98509	1.4
63.99264	1.3
69.03461	1.8
71.01382	16.2
71.50788	1.9
73.02939	8.4
78.95906	9.9
83.01385	3.6
83.05018	1.7
85.02950	4.6
87.00874	5.2
89.02435	3.4
93.03523	1.2
96.50991	1.1
96.96004	2.3
99.00883	1.4
99.04531	4.6
99.92580	1.6
101.02445	11.8
102.89874	1.3
104.78344	1.1
109.02973	1.6
111.08154	4.5
113.02451	9.5
115.00356	4.0
116.92878	6.4
119.03511	1.8
121.02978	3.2
122.03730	3.3
123.04542	1.7
125.02425	2.5
130.08722	1.2
133.01428	4.3
135.04512	9.3
137.09653	1.7
145.02956	3.2
149.02426	12.3
150.03218	62.7
151.03706	1.8
155.10652	2.3
161.02467	2.8
161.04518	4.9
162.03236	3.3
164.04803	7.2
165.05562	76.5
165.12830	29.0
166.05951	1.3
166.13150	1.6
177.05568	1.8
179.03464	6.1
180.04317	5.9
183.13876	15.4
189.12898	1.5
191.10686	1.4
195.06601	46.9
196.06963	1.7
199.09717	2.3
209.11803	2.9
221.15453	2.2
227.12872	20.5
233.11787	1.8
241.01208	1.6
249.14812	2.4
251.12915	4.5
265.14432	2.8
275.12790	2.1
293.13943	11.1
327.10901	19.1
335.02148	1.7
339.10904	2.1
357.11765	2.6
363.12146	1.7
371.17285	6.0
405.24060	2.0
409.63885	1.6
436.24661	1.6
437.24530	4.1
443.18796	2.2
469.15244	2.0
497.90256	1.2
525.30750	1.8
537.23474	17.7
549.23383	1.9
567.24408	19.6
568.25525	1.8
585.24615	24.7
586.25360	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	585.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44880	23.9
56.18789	20.4
69.95926	100.0
87.00861	77.5
96.95998	25.1
129.01973	25.6
135.04486	24.5
147.03017	22.3
155.07196	26.9
356.04486	20.6
528.02362	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
69.28851	1.5
69.29256	3.7
71.35880	0.6
71.87716	0.7
75.45213	0.6
83.05038	1.0
87.00872	100.0
88.01261	0.9
93.03442	4.9
111.04520	10.9
137.02458	1.9
140.57719	0.6
146.01219	0.7
155.03458	1.5
157.59883	0.7
221.76410	0.6
243.05070	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	585.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.7
64.74136	0.4
70.70398	1.0
83.05033	1.2
87.00871	100.0
88.01201	1.1
90.19107	0.4
93.03439	3.6
101.98656	0.4
102.72388	0.4
109.02959	0.7
111.04516	11.1
137.02408	1.5
155.03470	1.0
243.05086	13.1
244.05307	0.4
334.76938	0.4
434.29419	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.0521
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99891	0.3
59.01372	1.4
61.98836	1.9
70.71484	0.4
70.98815	0.6
71.01388	4.0
72.99303	1.0
76.00627	0.4
89.02448	0.4
115.00374	8.1
130.85884	0.4
133.01428	15.7
146.75810	0.3
159.04482	0.3
179.45012	0.4
192.93126	0.3
193.05035	0.7
223.98718	0.4
235.03912	0.7
263.03479	40.1
264.03860	1.8
291.03067	0.7
335.01959	100.0
336.02280	6.2
583.32104	0.4
606.57050	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90840	3.0
54.19321	3.0
54.99141	3.5
59.01374	4.1
61.11625	3.2
68.35688	3.6
69.12937	14.7
69.13367	19.5
71.01391	16.1
79.44861	3.4
89.02449	3.7
96.96001	4.5
109.02948	4.1
115.00352	32.9
133.00465	7.0
133.01428	100.0
133.02950	5.7
134.01701	4.2
135.04539	28.4
137.02434	5.5
150.03244	6.3
151.03947	5.7
165.05553	3.5
179.03490	21.2
197.56963	3.3
280.11078	3.8
289.07132	7.5
370.52066	3.5
423.11029	6.6
425.11362	4.0
571.15485	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	584.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99311	12.8
61.29060	0.7
61.98834	1.6
66.69726	0.7
78.43631	0.8
78.45700	0.8
78.95898	2.7
88.00408	3.3
88.98809	100.0
89.02450	13.5
126.85252	0.8
152.99579	1.4
162.39720	0.8
162.41086	0.8
255.23257	3.6
332.60150	0.7
409.23480	1.1
463.15363	1.0
480.31293	1.5
584.19446	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	584.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80448	0.2
56.80769	0.2
57.03445	0.3
59.01367	1.4
61.98826	100.0
62.70061	0.2
66.58581	0.2
67.84833	0.2
68.36761	0.2
69.32580	1.4
71.01382	0.6
72.45439	0.2
78.95912	0.3
81.30567	0.2
83.01363	0.2
99.04499	0.2
101.02436	0.3
113.02437	0.3
116.92881	0.6
123.97734	0.2
129.01929	0.2
131.58275	0.2
135.04529	0.2
159.13245	0.2
159.14745	0.2
167.60217	0.2
190.09958	0.2
326.09418	0.2
394.84055	0.2
560.07074	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.5
58.96730	0.3
59.01378	4.8
61.98828	100.0
70.99006	0.8
71.01392	2.1
71.12467	0.3
73.02957	0.7
85.02950	0.7
89.02441	0.6
91.71223	0.4
93.03452	0.4
99.92646	0.3
101.02470	0.8
113.02425	0.6
115.00423	0.4
116.92841	2.0
117.92889	0.9
125.02404	0.4
133.01421	0.4
135.04497	0.5
149.02510	0.4
150.03268	2.1
151.03577	0.6
160.38921	0.3
161.04674	0.4
161.35164	0.4
163.76068	0.3
165.05536	2.3
166.05861	0.9
191.99200	0.3
195.06616	1.3
196.07014	0.4
341.27118	1.1
358.13287	0.4
358.75681	0.4
359.27890	1.7
405.24249	0.4
424.79745	0.4
430.95084	0.3
468.44684	0.4
521.33252	15.2
522.33783	0.9
540.28729	0.4
584.14917	0.5
585.29889	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30265	2.0
57.03447	8.1
59.01378	70.6
61.98831	23.1
69.24884	10.3
69.25314	8.6
71.01379	27.0
72.99313	10.9
73.02951	12.1
75.00870	2.9
77.08201	2.1
78.95922	3.6
83.01387	6.4
85.02972	9.1
86.00117	2.9
87.00855	2.5
89.02454	8.9
93.03471	2.9
96.96017	6.3
98.20718	4.9
99.00846	4.4
100.73933	2.5
101.02451	28.9
101.03104	3.6
113.02413	11.0
115.00376	2.3
116.92840	5.8
119.03489	2.8
121.02941	5.8
122.03738	6.6
123.04558	3.6
125.02418	5.8
133.01398	4.2
133.02945	2.5
134.12439	2.2
135.04506	7.0
136.01657	4.5
137.02431	4.0
140.23689	2.1
141.01834	2.6
149.02451	16.1
150.03220	50.5
151.03996	6.4
155.10770	3.0
161.04584	3.1
164.04791	2.6
165.05571	41.6
166.02664	4.4
167.03426	2.4
179.03511	3.4
180.04269	2.5
181.05084	5.1
189.05632	4.1
190.06371	4.0
195.06595	24.2
223.08307	2.6
238.10947	4.3
239.11121	2.4
309.07773	2.4
313.41571	2.1
329.09940	2.4
335.20642	11.3
351.05472	2.6
357.13449	6.2
379.23456	2.3
387.14322	8.9
479.24780	5.5
497.26144	20.7
505.18961	2.8
523.27478	5.3
535.19861	24.2
539.27087	100.0
540.27557	8.7
541.28052	5.5
583.29974	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	584.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	5.0
59.49596	0.4
60.01717	0.8
61.01785	0.6
61.98827	100.0
62.52875	0.4
66.31998	0.4
70.81997	1.0
71.01375	1.5
77.04296	0.4
77.16186	0.4
78.26239	0.4
96.96021	0.6
109.02895	0.4
115.00345	2.6
117.04205	0.3
125.02419	0.5
133.01476	2.5
134.03741	0.7
135.04581	0.7
137.02483	0.8
147.04567	0.7
149.02507	0.4
150.31154	0.4
163.40520	0.5
166.02196	0.5
175.03862	0.5
176.04283	0.5
193.05110	0.9
263.03549	1.2
323.59592	0.4
330.14395	0.7
332.14972	0.6
335.01981	4.2
342.14499	0.5
396.21384	0.4
423.10904	1.1
424.11133	5.4
425.11740	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38857	1.5
57.41542	1.4
59.01372	3.7
60.83398	1.3
61.98829	1.8
62.96430	1.4
67.32670	1.3
67.76485	1.4
71.01401	2.9
78.95907	100.0
79.95765	1.7
80.96515	6.0
82.96137	3.1
83.38400	1.6
94.98116	1.6
96.96972	3.7
99.92585	13.7
100.93365	2.1
115.92085	45.1
116.92860	25.9
119.12025	1.6
150.98064	6.4
152.99586	26.4
162.88890	1.8
163.89832	2.3
164.90466	1.9
171.00693	4.4
172.95494	6.4
174.79678	1.5
178.88441	15.5
179.89226	19.9
180.90016	20.2
181.90834	3.3
194.87965	4.8
196.89505	43.6
204.90073	2.0
205.90784	3.3
206.91519	4.0
208.89581	2.1
219.92404	2.5
224.07111	1.7
235.91927	6.9
236.92621	15.4
252.92203	3.2
253.92871	5.1
255.23251	11.0
283.26361	15.8
284.26730	5.8
409.23694	2.3
411.18326	3.4
435.12149	1.8
462.06976	1.7
475.15234	7.5
483.27106	2.4
491.15033	2.4
492.15833	7.3
504.05801	1.7
508.34265	7.4
509.34439	7.4
535.17841	4.4
547.17914	7.6
582.21588	2.0
582.30750	3.8
583.19910	80.6
583.30133	10.8
584.19897	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	583.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60157	1.6
55.60396	1.7
59.01381	2.7
61.98821	2.0
64.10005	1.6
69.69414	8.6
71.01382	30.7
72.99290	4.9
73.02916	1.9
83.01343	2.6
87.00890	3.4
89.02421	3.0
96.95993	5.7
97.02966	2.7
101.02423	2.0
109.02956	11.8
115.00370	67.1
117.01912	3.8
119.05053	2.3
121.02938	2.3
123.04481	7.4
125.02413	4.4
133.01425	95.3
133.23473	1.8
134.01741	2.6
134.03809	1.7
135.04504	6.6
137.02426	3.5
137.06111	1.7
139.03989	1.8
146.03777	1.9
147.04478	5.3
149.02405	4.6
149.06047	2.9
151.03995	4.0
155.04929	2.5
159.04411	4.9
161.02423	4.9
161.06001	2.6
162.03189	3.9
163.04066	3.6
165.01875	5.4
165.05516	3.7
173.02396	2.8
173.06046	4.3
174.03175	2.4
175.03989	17.7
177.01901	1.7
177.05504	1.7
179.03419	3.1
181.04961	3.2
181.06627	1.5
185.06007	3.0
187.04001	3.8
189.05547	9.0
191.03453	2.2
191.07162	1.7
192.38319	1.6
199.03944	6.9
201.01793	1.9
201.05650	2.0
205.05067	4.7
209.05966	2.4
211.03830	2.1
213.05521	3.6
214.06190	1.5
215.03426	2.3
215.07069	2.7
217.04974	5.5
219.06645	1.6
224.04750	1.8
225.05652	2.4
229.05101	2.7
231.02864	5.5
241.05095	2.0
243.02968	9.3
243.06485	1.6
245.08398	1.9
253.05003	9.5
255.06622	2.8
257.04510	9.9
259.06049	5.7
261.07657	2.4
269.04382	3.2
271.06067	15.8
273.03885	2.0
273.07635	1.9
281.04346	1.7
285.91357	1.9
297.03986	19.3
299.05554	3.9
315.04941	2.7
405.09586	6.4
423.10825	100.0
424.11163	7.2
434.88257	1.9
449.08789	9.6
467.09482	4.9
492.81006	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	583.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56435	0.9
57.47271	1.0
59.01376	2.2
63.08797	1.3
69.36788	2.7
69.37201	5.5
71.01378	25.9
72.99310	5.1
79.82811	1.0
83.01382	2.3
83.41698	1.0
87.00878	1.2
89.02441	3.0
93.68376	1.0
96.96037	1.6
97.02946	2.5
98.57144	1.0
109.02953	9.2
114.31538	1.1
115.00372	58.1
121.02947	1.8
122.03715	1.2
122.63731	1.0
123.00898	1.6
123.04504	7.1
125.02450	4.6
133.01427	90.0
135.04514	3.2
137.02452	3.4
145.03011	1.9
146.03717	1.1
147.04506	3.0
149.02428	2.3
149.06097	5.0
151.04021	3.0
159.04558	3.6
161.02417	5.8
161.06061	2.1
162.03290	1.0
163.04016	2.1
165.01921	4.4
171.04546	1.3
173.06073	3.7
174.03224	5.4
175.04001	14.7
177.05641	2.4
181.06685	1.2
187.04007	2.8
188.04716	1.8
189.05566	16.9
191.03552	2.1
191.07184	1.2
198.03180	1.7
199.04004	4.2
199.07738	1.2
201.01862	1.8
201.05629	1.8
203.03508	1.2
205.05038	3.0
209.06099	3.2
211.04008	2.3
212.04886	1.6
213.05557	3.3
215.03447	2.0
215.07028	2.3
217.05016	6.2
224.04785	1.3
225.05580	3.8
227.07109	2.1
229.04955	2.3
231.02962	3.1
235.03877	1.2
239.03517	2.2
240.04173	1.9
241.05035	1.2
242.02136	3.2
243.02975	14.0
243.06506	1.9
244.03453	1.0
245.08199	1.2
251.03513	2.1
253.05086	8.7
255.06624	1.6
257.04553	17.2
258.05182	3.5
259.06189	5.4
261.07587	5.4
271.06110	22.3
272.06290	1.4
273.04105	2.0
279.02884	3.0
281.04520	1.4
293.12045	1.3
297.04031	20.3
299.05685	6.3
300.06207	1.2
301.07089	2.8
313.07358	1.3
337.42249	1.2
363.08383	1.8
379.12112	2.4
405.09497	5.3
422.08212	1.2
423.10849	100.0
424.11160	7.9
449.08600	6.4
467.09723	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	583.109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	6.5
61.98845	2.7
69.68369	4.7
71.01378	15.2
72.99313	1.5
83.01389	2.5
86.32400	1.0
89.02455	1.0
93.03462	1.0
96.95979	1.0
97.02960	2.2
101.02448	1.6
107.05041	1.2
109.02946	12.3
113.02414	1.0
115.00369	26.8
121.02912	4.2
122.03731	1.8
123.04488	4.7
125.02429	6.4
133.01431	23.7
135.04509	5.1
137.02460	4.5
139.04019	1.6
146.03731	1.9
147.04543	5.3
149.02437	5.9
149.06038	1.2
150.03236	2.3
151.04005	3.3
151.75328	0.9
159.04504	2.9
161.02449	3.7
161.06084	2.9
162.03287	1.5
163.03981	1.9
164.04793	1.6
165.01913	4.6
165.05537	3.2
172.05336	1.2
173.06088	2.9
174.03276	1.8
175.04012	8.2
177.01909	1.7
177.05585	1.6
179.03430	1.6
185.06046	2.0
187.03947	1.5
189.01907	1.4
189.05621	2.2
191.03477	3.8
195.06723	2.1
199.04037	1.6
203.03484	1.0
205.05051	5.1
211.07703	1.3
213.05565	1.3
214.06371	1.6
215.07167	1.6
217.05064	8.0
227.07175	2.3
229.08600	4.0
231.02908	2.6
233.02368	1.0
247.06136	3.4
255.06631	1.2
259.06094	1.9
269.04468	1.6
271.06125	6.7
272.06470	1.3
289.07291	1.5
297.04047	1.0
299.05585	1.8
305.00848	2.5
313.07156	3.1
315.05121	1.8
333.00253	3.6
355.11902	1.2
379.11847	1.6
423.10849	100.0
424.11090	6.7
449.08627	4.2
454.87265	1.3
463.44528	1.1
467.09805	1.5
475.18829	1.2
583.11047	1.5
583.30560	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	582.3772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	21.5
63.96231	0.7
69.03454	0.5
70.97751	1.4
71.01370	2.0
73.01719	0.4
78.95905	25.4
78.98582	1.7
79.95736	2.1
80.96519	16.2
81.96478	0.5
82.96091	0.9
85.02953	0.7
86.68362	0.6
87.00871	1.1
87.94605	0.5
94.98054	2.9
96.96006	1.2
101.02457	0.6
115.92078	1.2
116.92837	0.8
122.97580	0.7
134.97615	1.1
148.99158	0.9
152.98570	1.2
152.99590	4.5
164.98587	2.4
168.04294	3.2
180.89975	0.8
196.89467	1.4
224.06911	8.1
225.00743	2.6
226.00964	0.9
236.92574	0.6
242.08006	1.6
281.24854	0.6
283.26419	100.0
284.26733	5.5
443.14731	0.6
463.24939	0.6
507.23773	0.7
508.34052	67.1
509.34293	6.1
582.30298	27.3
582.39581	1.2
583.19867	3.6
583.30194	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	583.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32634	1.0
57.03437	1.2
59.01391	4.9
61.98836	2.7
64.68774	1.1
69.93076	1.0
70.64560	3.4
71.01388	14.6
72.99331	1.8
81.03452	2.6
83.01395	5.7
89.02467	1.7
92.61135	0.9
93.03426	5.0
95.01408	1.5
95.05045	2.0
97.02973	4.5
99.00917	1.6
99.50040	0.9
101.02386	1.0
108.02220	1.8
109.02956	15.7
111.00842	1.3
113.02461	1.3
115.00384	28.1
119.05038	4.5
120.80440	1.0
121.02991	4.3
121.06703	1.1
122.03745	2.7
123.04518	9.3
125.02470	9.9
133.01443	37.7
133.02975	2.5
135.04527	7.8
137.02454	7.5
139.04019	4.6
145.02931	1.4
146.03712	1.2
147.04523	5.5
149.02454	8.3
149.06075	2.1
150.03238	1.6
151.04085	5.5
152.16577	1.2
159.04514	3.8
161.02446	6.8
161.06107	3.9
162.03238	3.0
163.04016	4.0
164.04732	2.2
165.01947	9.7
165.05603	2.0
167.03481	4.8
171.04520	2.1
172.05348	1.4
173.06094	3.5
174.03221	2.6
175.04042	10.9
176.01164	1.8
177.01970	3.7
177.05582	3.2
179.03552	5.3
180.04306	2.3
181.05055	1.8
185.06113	4.2
187.04056	2.2
187.07753	1.2
189.05605	5.0
190.02654	1.2
191.03529	6.5
192.04286	1.6
193.05081	4.8
195.06721	2.8
201.05548	1.5
203.03497	1.4
205.05080	9.1
206.02382	1.2
207.03026	2.2
209.04546	1.3
212.04811	1.2
213.05630	2.2
215.07133	1.8
217.05060	12.2
219.02959	3.0
221.04530	4.7
225.07758	1.9
227.07111	2.9
229.08716	3.6
231.02940	3.9
233.04616	1.9
243.06694	1.6
244.97389	1.1
247.06143	3.8
249.03996	6.5
255.06560	1.7
259.05978	1.2
261.01669	1.3
261.04120	1.3
271.06116	6.8
273.07684	2.2
273.12375	1.2
279.05066	2.6
284.03226	1.7
289.07217	1.5
297.04001	2.2
299.05576	1.2
301.07272	1.4
305.01016	3.1
313.07285	4.0
315.05200	2.0
315.08807	4.2
327.08887	2.5
333.00381	5.8
343.08209	3.2
345.09790	2.1
355.08167	12.1
355.11575	1.3
357.09827	3.0
373.09305	10.4
378.05099	1.1
385.09122	6.4
403.10370	3.9
423.10840	100.0
424.11261	7.5
449.08691	11.5
463.12366	8.3
467.09912	1.7
475.12500	4.3
493.13535	13.9
496.86404	1.4
583.16724	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	582.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	27.7
59.01068	2.1
59.01376	57.2
61.98826	100.0
71.01398	6.2
71.50940	1.6
73.02943	2.6
81.03461	1.9
83.01374	1.7
83.62076	1.1
85.02953	2.6
89.02449	2.5
96.96011	8.9
99.00887	1.6
99.04512	46.6
101.02431	9.7
113.02422	3.0
115.92059	1.8
116.92867	2.9
125.02438	21.3
132.17616	1.1
133.01428	1.4
142.40808	1.1
153.05563	1.1
161.04585	1.7
162.97949	1.3
339.25525	1.7
357.26382	2.5
420.72763	1.4
477.50449	1.5
501.30591	3.4
519.31708	18.5
520.32568	1.5
523.29272	3.3
547.42767	1.4
582.33636	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	581.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.2
61.98829	100.0
69.21747	1.4
71.01357	0.3
78.95901	0.6
80.96516	0.6
82.96097	1.1
96.97657	0.2
98.20676	0.3
103.00339	0.1
118.88394	0.2
152.99588	0.3
182.58931	0.2
279.23306	1.6
280.23752	0.4
281.23959	0.3
282.24417	0.2
492.85037	0.2
504.31024	1.0
507.31903	0.4
581.27124	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	581.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	9.0
59.01381	48.5
60.86771	2.2
61.98831	52.8
67.67687	1.9
70.44872	1.7
70.74542	4.3
71.01381	15.5
72.05352	1.7
72.99311	2.9
73.02944	5.9
75.00868	4.3
81.03477	2.1
83.01375	4.4
85.02953	6.1
87.04499	6.9
88.98821	2.3
89.02432	6.9
93.03461	2.1
95.01379	3.2
96.95996	18.7
99.04514	8.5
101.02436	9.2
113.02469	9.7
116.92856	5.7
119.03501	3.1
125.02443	5.3
132.04482	2.2
135.04466	2.4
149.66995	1.7
150.03183	5.0
159.04533	3.9
161.04535	2.9
165.05617	3.1
177.01854	2.7
191.05579	2.4
195.06627	2.3
201.01955	1.9
237.10368	1.9
253.13289	2.7
255.11574	2.1
301.12137	2.4
313.23795	6.9
313.48895	1.9
341.26617	3.9
359.28018	100.0
360.28354	8.0
385.12973	2.9
419.07690	2.5
464.44568	1.8
500.04605	1.9
518.30273	1.8
521.33582	5.0
539.27264	4.4
581.22949	4.2
581.35388	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	581.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42894	1.0
57.03431	2.9
59.01376	64.7
70.51392	1.8
71.01377	18.4
72.99313	2.6
73.02944	11.0
73.15100	1.0
83.01376	7.4
85.02946	10.5
86.00111	1.8
87.00887	2.8
89.02444	3.3
93.03457	4.2
95.01381	3.6
95.04945	1.0
97.02971	1.5
99.00869	2.9
101.02431	17.9
106.32257	1.1
108.02217	1.1
108.15446	1.1
113.02443	7.7
115.00238	1.1
119.03561	1.4
121.02945	9.6
122.03744	10.1
123.04560	2.3
124.01650	1.0
132.02170	2.4
133.02953	12.1
134.03720	3.9
134.58302	1.2
135.04494	3.0
136.01653	1.5
137.02341	1.1
143.03494	1.4
147.04579	1.4
149.02435	52.8
149.06076	4.4
150.03220	71.2
151.03635	1.2
161.02512	1.3
161.04575	1.6
162.03233	3.1
164.04785	9.7
165.05559	65.0
166.06316	8.4
167.07106	2.1
169.25555	1.2
177.05525	2.2
180.04279	3.5
181.08669	7.4
195.06612	28.1
196.06946	1.6
270.08936	2.0
283.09921	1.7
299.48798	1.1
314.11481	7.5
315.12308	2.0
325.12878	17.3
329.13989	17.6
338.76596	1.0
343.13840	7.5
377.15808	1.4
385.15268	1.9
386.84750	1.0
399.14410	1.2
413.15341	1.3
458.15933	1.8
473.18124	100.0
474.18628	8.3
491.19217	43.2
492.19547	3.1
521.20068	5.6
533.20233	38.6
534.20258	5.0
537.25439	1.6
539.21173	7.5
581.14001	1.4
581.22357	14.7
582.23132	2.0
582.36407	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1824
Annotation	Crinemodin-rhodoptilometrin bianthrone
Peak:m/z	Relative Intensity
53.17084	0.7
54.09620	0.8
61.98827	1.8
62.96377	1.5
71.01362	1.2
78.95907	100.0
78.98582	1.5
79.95734	3.2
80.96521	20.3
89.02431	1.4
94.98100	4.6
96.96002	3.6
96.96954	3.9
98.95605	1.2
99.92587	13.1
100.93340	2.8
115.92085	38.8
116.92133	1.4
116.92863	27.0
122.97586	1.6
134.97554	1.7
134.98489	1.3
135.84773	0.8
142.94408	1.2
143.74257	0.9
148.99097	2.2
150.98032	4.1
152.99609	21.6
155.95201	1.1
156.96019	0.9
163.89706	1.7
164.90518	2.5
164.98607	4.0
171.00653	8.9
172.95470	6.4
178.88443	18.4
178.92101	0.8
179.89221	30.4
180.88480	1.4
180.90021	26.7
181.90759	3.0
194.87849	4.1
196.89488	43.3
197.89568	0.9
204.89989	1.4
205.90845	4.3
206.91544	4.6
208.14403	0.8
208.89462	1.7
218.91466	1.2
219.92369	2.0
221.90231	2.7
225.00661	4.6
234.91054	1.4
235.91803	6.9
236.92616	23.1
237.93050	0.8
245.04161	1.0
252.92064	3.0
253.21738	1.0
253.92825	4.0
276.95764	1.4
278.93619	2.7
279.76315	1.0
290.93646	1.4
292.95236	1.2
308.94571	1.4
310.96252	5.3
407.21759	1.2
409.11957	1.0
409.16666	3.8
421.93427	0.9
473.13950	5.6
474.14368	0.8
481.25909	4.3
490.14252	6.8
515.14856	1.2
533.16302	4.5
545.15887	7.8
563.17053	4.1
581.18170	62.2
581.29803	28.7
582.18292	6.5
582.27130	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54089	0.6
59.01376	100.0
61.98819	1.1
62.60405	0.7
70.98899	1.7
70.99237	0.8
74.33546	0.7
106.49889	0.7
116.92810	1.3
121.02974	2.0
163.56010	0.8
235.51096	0.8
255.10112	0.8
269.08115	7.7
281.08258	1.3
283.09875	2.6
299.09259	6.4
311.09253	7.6
314.11591	12.1
325.10999	1.1
326.11588	8.1
329.13922	38.5
330.14331	2.3
341.13937	24.3
342.14490	1.3
380.44754	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84819	1.4
56.95387	1.6
57.03444	2.3
57.06097	1.6
59.01379	6.7
61.98831	2.2
62.27599	1.5
69.03465	3.1
69.70425	9.3
70.91027	1.7
71.01379	8.5
73.02979	2.9
75.00931	1.8
81.03473	15.5
83.01386	13.3
85.02940	2.2
93.03471	4.4
95.01379	7.4
95.05033	8.9
97.02949	10.5
98.20694	1.9
99.04533	8.8
101.02438	2.6
107.05019	3.7
108.02208	1.5
109.02967	4.1
111.00882	2.2
111.04517	4.9
113.02438	5.5
113.58098	1.6
115.00392	1.9
117.03479	5.1
118.96387	1.5
119.05041	2.6
121.02936	5.2
123.04521	31.1
125.02455	49.1
125.06066	2.3
133.01448	3.9
134.03789	1.6
135.04524	10.0
137.02454	15.7
137.06099	3.1
139.03996	6.1
147.04544	4.2
149.02448	5.7
149.06049	1.9
151.04002	10.7
153.05556	4.8
154.37494	1.8
155.03535	3.4
159.04497	1.5
163.00284	2.1
163.04047	3.4
165.01944	4.6
165.05566	6.2
167.03499	62.7
177.01982	2.5
177.05588	4.0
178.02724	1.8
179.03526	23.0
181.05109	3.3
191.03552	3.6
193.05069	4.9
197.04553	16.3
209.04559	100.0
210.04965	3.8
221.04536	5.9
223.06136	2.0
237.04205	1.6
239.05618	98.3
240.05927	3.5
251.05566	5.6
269.06693	44.8
277.03503	1.8
281.06570	10.7
299.07632	20.5
307.04681	2.0
311.07678	7.6
329.08780	17.5
341.09241	3.4
359.10077	2.8
371.07706	42.3
372.07925	2.9
401.08713	34.0
418.32098	1.8
419.11969	11.5
431.09637	9.5
432.99463	1.7
443.09662	4.7
461.10928	19.1
473.10794	4.0
491.11783	12.4
521.13000	1.9
563.14941	2.0
581.14728	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.363
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	20.9
61.98828	38.6
63.99247	4.2
69.03460	0.9
69.77161	2.7
69.77574	2.1
71.01369	6.6
73.02922	1.2
76.06430	0.9
78.95902	20.6
78.98582	3.6
79.95737	6.3
80.96515	42.6
81.96445	1.2
82.96094	1.5
85.02942	1.8
89.02428	1.0
94.50851	0.8
94.98088	10.6
96.95997	1.5
99.82127	0.9
101.02427	2.2
103.45880	0.9
106.98055	1.3
115.92032	1.7
116.92896	0.9
122.97561	3.0
125.02477	1.2
134.34596	1.0
134.97572	2.2
136.03729	0.9
139.34511	0.9
148.99118	4.5
152.98582	3.5
152.99603	3.6
164.98625	6.1
165.98827	1.7
168.04285	3.0
171.00735	1.1
180.89944	1.0
206.99673	1.3
224.06897	7.6
225.00685	8.3
226.01022	1.7
238.54454	1.0
242.08020	1.9
247.84502	0.9
255.23383	1.0
256.23666	1.7
280.23401	1.0
281.24829	100.0
282.25168	4.6
299.04288	1.6
332.78714	1.0
342.11688	1.4
444.02255	1.0
506.32471	58.4
507.32800	4.7
580.28717	67.5
581.19476	1.6
581.28607	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	581.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
69.72314	13.6
71.01379	8.3
108.02193	5.1
115.00375	27.8
133.01434	100.0
135.04524	21.5
152.01125	3.4
179.03490	23.9
220.95909	3.1
285.06033	3.8
295.04642	3.4
371.56125	3.0
426.55536	2.5
568.28308	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	580.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40535	0.4
55.44969	0.5
59.01379	4.1
61.98827	21.5
70.98772	1.1
71.01380	1.8
72.99323	0.5
73.02943	0.6
85.02944	0.6
96.96014	1.0
101.02409	0.8
123.55566	0.5
135.04523	0.6
177.01907	0.6
178.91861	0.5
191.03450	0.6
209.06085	2.1
210.06845	8.5
211.03993	1.3
214.68819	0.5
225.05600	3.0
226.06322	1.1
229.08681	1.4
230.09079	0.9
253.05003	1.1
253.08710	1.4
254.05838	14.7
261.04056	0.6
267.10162	1.1
269.08170	100.0
270.08511	5.6
283.09683	0.8
291.07028	0.6
291.10254	0.7
311.09357	3.0
542.14685	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29921	0.9
52.03932	1.2
61.98829	100.0
70.00249	4.8
71.01376	2.4
76.65624	1.1
78.98579	1.6
79.95728	3.4
80.93950	1.1
80.96511	20.9
81.96504	1.2
85.34431	1.1
87.00884	1.4
94.98080	3.9
101.02435	1.2
105.77745	1.3
106.98128	1.2
109.43703	1.0
120.39767	1.1
121.09744	1.0
122.97553	1.3
146.91882	1.1
148.99158	1.6
152.98599	2.3
164.98590	3.1
183.13893	2.6
184.14153	1.3
225.00624	4.2
295.22684	1.3
536.84875	1.2
581.29944	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.5
59.77322	0.2
61.98832	100.0
69.22989	1.3
69.23412	0.7
71.62245	0.3
78.95901	0.5
94.52779	0.2
96.97649	0.2
109.03209	0.3
152.99651	0.4
159.71526	0.2
189.73624	0.3
196.14005	0.2
214.33000	0.2
277.21814	1.8
278.22253	0.5
279.22672	0.4
280.22864	0.3
284.03381	0.3
286.25192	0.3
502.29858	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66488	0.8
57.03452	4.8
58.00590	0.9
59.01381	30.3
61.98835	3.3
69.03451	1.1
69.19044	6.6
69.19410	1.1
71.01389	11.7
72.99300	1.2
73.02956	13.0
74.03281	0.8
75.00886	1.0
78.51740	0.6
83.01385	1.8
85.02972	3.7
87.00883	2.5
87.04535	1.5
89.02464	3.3
92.50812	0.6
95.01406	0.8
97.02905	0.7
98.20705	1.5
99.00861	0.9
101.02453	6.1
103.89099	0.6
109.02966	1.7
113.02460	4.4
119.03490	1.3
123.08198	0.9
125.02452	1.3
137.09708	0.7
141.09212	0.9
141.12825	0.8
153.01953	2.9
157.12354	1.0
161.04503	0.9
169.12364	1.8
171.13892	0.9
181.12376	1.0
183.13950	2.6
185.11824	4.0
193.05084	0.9
199.13350	1.0
201.01976	0.8
215.12877	1.1
273.07358	0.8
329.23416	2.5
331.62653	0.6
332.97043	0.6
343.24896	1.0
357.26456	14.2
358.26746	0.9
373.25739	2.3
374.26001	1.1
375.27512	99.1
376.27835	6.4
387.27353	1.0
389.29037	3.7
417.28455	4.4
459.29608	1.1
519.31726	8.5
520.32111	0.8
535.31036	1.3
537.32764	14.0
538.33069	1.2
579.33752	100.0
580.34125	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	579.3384
Annotation	Lanceolitol B4
Peak:m/z	Relative Intensity
55.01864	0.4
57.03443	1.5
58.00586	0.9
59.01377	19.5
61.98830	0.4
68.63979	0.2
69.03432	0.7
69.16703	2.0
71.01379	9.5
72.99297	0.9
73.02554	0.3
73.02940	4.5
75.00870	0.2
77.16176	0.2
81.03416	0.2
83.01386	1.2
85.02946	3.6
87.00876	2.1
87.04501	0.5
89.02441	2.5
95.01381	0.8
97.02948	0.5
99.00858	0.8
101.01802	0.4
101.02443	4.9
112.01688	0.4
113.02444	2.8
116.92776	0.2
118.27170	0.2
119.03499	0.9
123.08154	0.2
124.01656	0.2
125.02439	0.9
125.09717	0.4
127.11260	0.5
137.09700	0.3
143.03465	0.3
143.10732	0.4
155.10777	0.6
157.12317	0.4
169.12303	0.4
171.10263	0.9
185.11836	0.4
201.11339	0.4
215.12811	0.2
269.21487	0.2
271.19281	0.3
290.15485	0.2
311.22238	0.5
329.23215	1.6
337.23465	0.2
339.25354	0.8
355.24692	0.4
357.26407	6.8
358.26804	0.4
373.26047	1.1
375.27466	22.3
376.27786	1.4
387.27567	0.5
389.29169	0.4
417.28378	1.1
501.30853	0.3
519.31696	11.5
520.31958	1.0
537.32758	20.9
538.33038	1.8
561.32178	0.4
579.33789	100.0
580.34131	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	579.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04826	0.5
58.75769	0.5
59.01383	0.9
60.66746	0.4
61.60106	0.5
62.56733	0.5
63.96238	1.1
64.09380	0.5
69.29743	4.1
71.01384	6.7
73.02950	1.9
78.98603	5.4
79.95742	11.3
80.96523	66.5
81.03464	0.7
83.01371	0.6
85.02959	2.5
87.00874	3.1
91.14303	0.5
93.51214	0.5
94.98095	15.4
96.96005	1.5
97.02971	1.6
101.02431	3.4
102.97905	0.5
106.98080	3.1
113.02520	0.5
122.97598	4.8
125.02457	2.4
127.04068	1.0
134.97595	4.1
136.99159	1.0
142.73376	0.6
148.99142	5.3
152.98660	6.1
164.98628	9.6
165.41902	0.5
167.00185	0.6
180.29547	0.5
182.26717	0.5
182.99680	1.9
206.99773	2.8
225.00761	14.6
243.01776	1.1
279.23315	2.1
299.04453	2.5
579.28442	100.0
580.28790	9.1
582.30463	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51962	0.1
59.01374	0.4
61.57770	0.1
61.98827	100.0
69.22141	0.7
69.22559	0.4
73.22902	0.1
73.67651	0.1
78.95892	0.6
98.19875	0.2
105.26841	0.1
106.95709	0.1
108.74912	0.1
152.99591	0.3
215.68509	0.1
277.21710	1.4
278.22119	0.5
279.22327	0.3
280.22720	0.2
470.70551	0.1
502.29410	1.2
503.30573	0.2
505.30438	0.5
539.76385	0.1
579.13208	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.4
59.01377	100.0
60.01716	0.5
61.35520	0.4
71.01379	1.6
71.19146	0.4
73.02966	0.5
74.79388	0.4
85.02988	0.5
89.02462	1.0
98.20660	1.4
99.04530	0.7
101.02486	1.2
107.29863	0.4
113.02474	0.8
121.02971	1.1
125.02469	0.8
126.90436	2.4
145.03011	0.6
175.04002	1.7
190.06401	1.0
222.05301	1.0
229.58313	0.5
235.07724	0.5
251.07138	0.5
253.08705	0.6
261.05548	0.7
263.07224	0.8
267.06610	1.1
268.07394	0.6
269.08011	2.1
279.06738	1.7
280.07434	0.6
281.08255	3.0
283.09827	0.7
291.06644	1.1
293.08231	0.8
294.09128	1.3
296.10373	0.6
297.07709	7.8
297.11087	1.0
308.10660	1.1
309.07794	11.7
309.11337	3.5
310.08139	0.9
312.10007	8.5
313.10547	0.5
323.09283	2.1
324.09982	8.4
325.10651	0.7
327.12347	37.2
328.12659	2.9
339.12341	34.6
340.12839	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	579.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77868	0.5
58.61401	0.5
59.01367	1.0
63.96244	0.7
70.11894	0.6
71.01385	7.0
73.02946	1.9
78.98589	5.8
79.95734	9.8
80.96519	60.9
81.03453	0.9
83.01384	0.7
85.02965	2.8
87.00881	2.8
94.98093	15.9
96.96014	2.2
97.02963	1.2
98.20878	0.6
99.00926	0.5
101.02468	2.7
101.10928	0.5
102.96566	0.5
106.98098	3.5
113.02418	0.7
122.97583	2.4
125.02435	2.0
127.03964	0.6
134.97588	4.3
136.99144	1.6
146.52246	0.5
148.99113	5.0
152.98634	4.8
164.98634	10.1
171.29181	0.5
206.99648	1.8
225.00761	12.0
225.02988	0.7
229.42419	0.6
253.53207	0.5
279.23395	1.9
299.04379	2.9
392.21472	0.6
404.21078	0.7
432.20639	0.9
460.20126	1.6
475.21399	2.3
476.21988	0.8
492.22882	0.8
503.20895	5.9
535.23541	3.2
535.30353	0.7
579.28448	100.0
580.28796	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	579.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26520	0.2
57.03440	0.5
58.00597	0.2
59.01376	11.5
60.01710	0.5
61.01807	0.2
61.98822	1.9
69.03465	0.3
71.01376	3.4
71.50845	0.2
71.51255	0.2
72.01734	0.2
72.99297	0.4
73.02945	3.8
74.03307	0.2
75.00864	0.2
81.03430	0.2
83.01384	0.5
83.05009	0.3
85.02956	1.6
87.00872	0.8
87.04519	0.3
88.54492	0.1
88.98798	0.1
89.02434	1.1
95.01377	0.3
96.96024	0.2
97.02932	0.3
99.00893	0.3
99.92599	0.3
101.02447	2.2
103.04003	0.3
112.01636	0.2
113.02458	1.0
115.92082	0.4
116.92856	2.2
117.14164	0.1
119.03472	0.4
125.02466	0.4
125.09727	0.2
126.10004	0.2
130.04237	2.2
137.02405	0.2
145.02972	0.3
146.03726	0.6
155.10791	0.3
163.06108	0.3
171.10228	0.7
173.02437	1.3
174.03207	20.4
175.03505	0.6
185.11761	0.2
199.13367	0.2
206.02190	12.3
207.02528	0.4
213.05377	0.2
214.06331	0.9
229.08672	100.0
230.09015	4.9
235.41260	0.2
269.21210	0.3
271.09665	0.2
271.19269	0.3
300.27728	0.2
313.23740	0.2
343.24539	0.2
345.25674	0.2
355.24704	0.4
356.25360	0.4
357.26263	2.0
358.26395	0.2
373.25830	1.0
374.26248	1.2
375.27298	4.4
376.27664	0.3
445.27472	0.2
493.30740	0.2
517.30145	0.2
518.30365	0.6
519.31415	2.7
521.88074	0.2
535.31189	2.5
536.31934	0.9
537.19708	2.4
537.32245	3.9
578.32526	3.4
579.33258	24.3
580.33752	1.4
592.50958	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1357
Annotation	Lucenin 3
Peak:m/z	Relative Intensity
52.66188	0.8
58.40995	0.6
70.49467	1.5
71.01365	0.9
79.01939	0.7
92.15041	0.8
99.99802	0.8
104.23136	0.7
109.02936	3.0
121.03025	0.7
133.02957	9.6
134.03703	0.9
135.04532	1.8
149.02493	1.2
161.02451	1.5
161.06090	0.9
163.03993	0.9
175.03957	2.7
177.01947	2.4
177.05481	1.5
179.03287	0.9
189.01987	0.8
191.03571	1.3
201.01982	1.3
203.03477	2.2
205.05070	0.9
220.50015	0.8
233.04597	1.1
267.06598	1.3
283.05933	1.1
297.04071	3.6
297.11215	0.8
298.04797	10.2
299.05484	4.8
309.03897	2.0
310.04919	1.8
311.05716	8.9
312.06320	11.4
313.07254	8.1
316.36246	0.8
323.05627	2.0
325.07190	1.6
327.05099	6.7
339.05081	14.9
340.05453	2.1
341.06738	7.4
344.05200	0.9
351.05148	1.6
353.06662	4.5
357.06091	2.2
369.06143	52.5
370.06537	3.5
371.07761	1.7
381.06152	7.1
382.06506	0.7
383.07632	0.9
399.07208	40.4
400.07568	3.0
411.07199	5.1
423.07169	1.9
424.01138	0.7
429.08282	9.8
435.07623	1.0
441.08093	2.7
453.08249	2.1
459.09271	14.9
465.28839	0.8
471.09293	3.3
489.10397	38.0
490.10788	2.4
519.11304	6.2
543.12189	0.8
561.12415	5.1
579.13550	100.0
580.13867	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	579.1715
Annotation	(2R)-Naringenin 8-C-alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
57.03444	5.9
59.01379	52.6
61.98820	2.3
65.00313	2.6
71.01382	17.0
71.33363	1.8
71.49868	2.7
72.99291	2.8
73.02958	13.2
83.01369	4.8
85.02931	7.4
87.00850	2.3
89.02425	7.3
93.03461	16.1
97.02958	3.2
97.37882	1.6
99.04529	3.9
101.02437	10.2
101.30930	1.4
103.01883	4.5
103.83108	1.5
105.03467	1.6
107.01411	5.2
109.02972	4.3
113.02438	6.8
119.05028	84.5
120.05334	2.0
121.02946	4.2
122.03761	2.6
123.00838	1.9
123.04520	1.6
125.02456	9.4
131.01395	23.5
133.01375	1.8
133.02997	2.2
135.00876	2.9
135.04468	3.1
136.01680	17.4
137.02406	2.4
143.05026	1.7
145.02937	4.4
147.04507	1.5
149.02444	8.8
150.03236	5.8
151.00397	13.4
151.04024	16.6
160.05270	1.7
161.02499	2.1
161.04514	2.1
163.00375	9.5
164.01096	3.8
165.01924	6.1
165.05507	4.7
175.00371	90.9
175.07654	2.3
176.00746	2.3
177.01909	4.4
178.02682	2.9
179.03477	2.3
187.04015	2.6
189.01929	9.8
191.03558	2.6
192.00563	2.5
193.01450	16.0
195.06570	3.2
201.01961	2.5
205.01559	3.7
217.01361	4.7
219.02969	2.2
223.02386	2.8
247.02600	1.8
256.02957	1.7
271.03250	2.5
271.06146	13.6
283.06143	6.8
284.06842	3.2
295.06104	100.0
296.06546	3.8
312.02844	3.9
312.06342	3.5
313.07159	78.2
314.07504	2.8
325.07047	8.5
327.12473	8.7
337.07141	7.8
339.12372	3.8
343.08252	28.4
355.08109	2.0
369.06232	2.0
397.09338	3.4
415.10379	18.5
433.11313	6.0
459.12979	63.1
460.13571	4.3
463.08786	3.0
535.10907	1.9
579.17255	97.1
580.17401	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	578.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25669	1.0
59.01384	12.9
59.43920	1.1
61.34967	0.9
61.98834	69.2
62.98520	1.7
63.99251	7.2
70.59931	0.9
71.01369	6.2
71.49616	1.5
71.49973	1.6
73.02943	1.5
78.95909	11.2
78.98589	6.9
79.95732	10.3
80.96521	57.4
81.96445	1.6
82.96085	4.0
83.48592	1.1
87.00850	2.5
88.33820	0.8
94.98083	14.8
96.95985	1.0
97.02946	1.2
101.02454	2.7
106.98072	2.6
110.44547	0.9
122.97575	2.5
125.02465	2.0
134.97585	5.6
148.99110	4.1
149.99396	1.0
152.98596	4.3
152.99667	1.6
164.98633	8.6
165.98943	1.4
168.04269	1.6
179.11406	1.0
206.99634	1.8
223.11972	0.9
224.06831	4.5
225.00772	9.8
226.01123	2.3
242.07880	1.7
277.21567	1.2
279.23294	52.9
280.23566	2.8
299.04065	1.3
300.04810	1.4
504.30930	34.3
505.31351	1.8
575.33185	1.0
578.27173	100.0
579.27319	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	578.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	61.1
59.01376	100.0
60.01703	4.6
61.98826	98.5
69.03456	6.1
71.01382	35.1
71.50708	4.0
72.99288	2.4
73.02945	31.1
75.00872	2.9
82.08244	2.0
82.48116	2.3
83.01369	4.3
85.02937	16.5
87.00852	3.1
89.02444	19.2
95.01385	5.4
96.96027	3.4
97.02928	3.4
99.00878	4.0
99.04508	59.2
101.02428	41.8
113.02430	33.0
115.00327	3.0
119.03494	9.1
125.02425	35.5
131.03473	2.8
135.04640	2.2
143.03481	9.6
144.62086	2.5
149.04529	6.1
159.04497	4.2
161.04555	10.8
177.01921	7.5
179.05685	2.6
195.08929	2.4
221.06638	3.6
273.14386	2.6
324.84705	2.3
373.25858	3.0
374.26297	3.4
375.27502	2.9
445.28143	4.6
515.24896	6.2
517.30042	5.0
518.30597	16.9
519.31653	11.8
536.31311	6.2
537.32489	8.1
577.32025	7.6
578.32672	43.5
579.33862	42.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08292	0.4
57.55746	0.4
59.01379	0.5
61.98833	100.0
62.79042	0.3
69.21986	1.1
69.22400	2.5
71.01382	1.2
72.23177	0.3
78.98602	0.7
79.95754	1.3
80.96522	7.8
85.68555	0.4
94.98127	1.2
122.97546	0.4
131.01381	0.4
134.97641	0.5
136.99182	0.4
141.12440	0.4
148.99188	0.6
160.02223	0.4
164.98674	1.3
225.00786	1.3
279.23346	1.0
280.23541	0.8
280.33316	0.5
282.24094	0.5
335.86856	0.4
366.86667	0.4
573.74908	0.4
579.28406	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	578.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.1
61.98827	100.0
63.96238	0.4
69.21392	0.8
69.21812	2.7
71.01382	2.0
72.18301	0.4
73.02936	0.5
78.98600	1.7
79.95724	2.4
80.96513	16.8
85.02953	0.6
94.98077	4.1
101.02429	0.9
103.60931	0.4
106.98103	0.4
122.97623	0.7
125.02470	0.6
134.97580	1.3
148.99159	1.5
152.98628	2.2
164.98627	2.5
168.96834	0.4
206.99802	0.7
222.58368	0.4
225.00731	3.6
268.05505	0.4
279.23209	1.0
280.23666	1.2
299.04297	0.9
398.13568	0.4
493.68814	0.5
553.07568	0.5
579.28387	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	577.423
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.3
63.24662	0.5
63.74279	0.5
70.98378	1.0
71.01386	0.4
92.72912	0.4
98.20699	0.4
178.19682	0.4
188.38065	0.4
275.20023	1.0
277.21710	100.0
278.22055	5.5
369.60318	0.4
402.47372	0.5
420.19632	1.3
432.53558	0.5
533.25598	0.5
577.24835	4.5
577.42371	43.5
578.42761	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	578.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.3
58.58366	0.2
59.01374	2.7
61.98828	100.0
64.32264	0.2
71.01389	0.5
85.35851	0.2
85.86192	0.2
85.96400	0.2
101.02463	0.3
157.31773	0.2
193.53848	0.2
201.01950	0.9
202.02361	0.8
246.54060	0.2
256.03317	0.3
309.07922	0.2
311.25940	0.2
329.26968	0.3
533.33508	0.6
534.33844	0.8
577.35364	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	39.7
59.01384	85.0
60.01756	1.8
61.98835	100.0
69.15795	8.7
69.16222	9.8
71.01385	17.8
73.02956	14.2
83.01423	1.8
85.02962	9.3
89.02454	6.8
95.88880	1.7
99.04523	56.3
101.02452	19.1
113.02475	9.2
119.21997	1.7
124.95973	1.6
125.02457	23.7
126.18137	1.7
129.99548	1.8
133.20950	1.8
143.03467	3.0
161.04530	4.4
209.15327	2.5
342.83463	2.1
356.25424	2.2
371.20724	8.5
373.26312	2.2
374.26099	3.7
375.27292	2.3
413.21777	10.2
458.61020	2.1
515.25031	16.1
517.30365	3.5
518.30457	9.7
519.31750	3.2
535.31226	3.3
536.31537	3.1
577.32068	7.0
578.32642	30.5
579.33630	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	577.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.0
59.01367	2.1
62.98493	0.7
69.37527	1.6
69.37938	4.0
71.01368	1.0
71.05005	2.3
76.90847	0.7
83.05007	1.2
97.02929	2.3
97.06570	2.3
98.19957	0.8
99.00876	7.8
102.13690	0.7
109.06600	1.1
115.83167	0.7
121.52431	0.7
125.09740	6.7
135.08136	1.2
153.12816	1.2
163.11259	6.7
164.11453	0.7
181.12334	19.3
182.12680	1.2
182.83755	0.7
186.67596	0.8
199.13397	4.4
207.10240	15.9
225.11302	44.7
226.11630	1.9
233.22820	1.1
243.12344	17.2
277.21704	100.0
278.22144	4.9
299.14999	7.3
317.16031	15.6
318.16534	1.0
356.43311	0.8
363.13751	0.7
511.37848	0.7
577.36395	9.0
577.42279	23.9
578.42572	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	577.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35184	1.1
59.01378	14.7
76.19585	1.0
109.65073	1.1
124.54047	1.0
125.02413	1.1
165.12830	14.2
173.76357	1.1
175.75665	1.3
179.28957	1.2
183.13889	100.0
184.14194	2.7
195.13852	5.0
209.11780	6.0
223.13406	5.0
227.12831	10.3
229.60748	1.5
275.20050	2.0
283.15295	1.6
293.21231	48.3
293.59409	1.1
294.21619	2.2
301.16492	7.9
577.37427	22.2
578.37640	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	577.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.6
57.03441	0.9
58.00584	0.7
59.01377	18.2
61.98831	0.8
64.62752	0.3
70.80870	0.6
70.81196	0.4
71.01377	8.8
71.05042	0.5
72.99319	0.8
73.02950	4.6
83.01390	1.6
83.04988	0.4
85.02936	3.3
87.00875	2.5
87.04498	0.6
89.02446	2.8
95.01385	0.7
97.02967	0.5
99.00862	0.5
101.02439	5.3
113.02447	2.7
119.03480	0.7
124.01629	0.6
124.52363	0.4
125.02402	1.1
125.09702	1.2
137.02394	0.4
139.11324	0.6
155.10774	0.7
157.12271	0.5
169.12326	0.8
171.10258	3.3
185.11795	0.9
201.11362	0.6
215.12848	2.1
249.93076	0.4
273.02649	0.3
278.81302	0.4
313.23920	0.5
325.23709	0.8
327.21280	0.4
337.23795	1.0
343.24863	1.1
355.24884	8.7
371.24286	0.7
373.25928	16.0
374.26157	0.9
415.27045	0.4
448.03033	0.4
489.26706	0.4
517.30127	11.3
518.30505	1.3
533.29639	1.0
535.31219	17.1
536.31329	1.6
559.31073	0.8
577.32239	100.0
578.32623	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	577.359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	14.5
61.98837	1.3
62.14074	0.6
64.90226	0.5
69.18543	3.5
69.18959	1.4
69.37848	0.5
71.01385	2.9
73.02950	0.9
85.02991	0.9
87.00906	0.6
89.02428	1.8
91.03973	0.6
101.02448	2.4
113.02444	1.3
115.62225	0.5
117.89153	0.6
119.03466	0.8
145.47884	0.5
235.08208	1.9
253.09290	12.4
254.09743	0.7
281.24863	100.0
282.25247	6.5
299.04416	1.4
299.37766	0.6
411.20859	0.6
458.92300	0.6
560.70691	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.6
55.77298	0.2
57.03446	1.3
58.00579	0.6
59.01381	22.7
59.93484	0.2
61.98836	0.9
67.15379	0.2
69.03446	0.5
69.42129	0.7
69.42563	0.7
71.01380	9.4
71.05008	0.2
72.99307	1.1
73.02950	6.7
75.00871	0.5
81.03474	0.2
83.01390	1.6
83.05033	0.3
85.02950	3.6
86.00086	0.3
87.00878	2.0
87.04519	0.3
89.02454	2.8
95.01402	1.1
96.95953	0.2
97.02936	0.6
98.20656	0.3
99.00864	0.9
101.01792	0.4
101.02444	5.1
104.03267	0.2
111.00903	0.2
112.01640	0.4
113.02451	3.3
119.03520	1.0
123.08150	0.5
124.01636	0.4
124.80965	0.2
125.02437	0.8
125.09728	1.8
127.11298	0.5
137.09712	0.7
139.11302	0.3
141.09184	0.4
143.10730	0.3
153.09184	0.4
153.12910	0.2
154.56145	0.2
155.10786	1.0
157.12312	0.2
161.04625	0.3
169.12332	0.5
171.10265	5.1
185.11789	0.5
192.50546	0.2
199.13445	0.3
201.11272	0.6
201.14967	0.3
215.12900	1.1
217.14464	0.3
229.14455	0.2
230.15311	0.4
285.20792	1.0
321.46579	0.2
325.23849	0.7
327.21597	0.6
327.25317	0.4
337.23792	0.7
339.25479	0.2
343.24918	1.7
344.25299	0.2
355.24847	5.5
356.25107	0.3
357.26413	1.1
361.18671	0.2
371.24411	0.5
373.25928	18.3
374.26358	1.1
379.19623	0.3
385.25876	0.3
387.27606	0.3
391.19736	0.5
400.99051	0.2
415.26971	0.6
443.26270	0.3
461.27869	0.2
499.29034	0.5
517.30157	9.6
518.30731	0.9
533.29364	0.4
535.31226	18.0
536.31665	1.5
559.31305	0.3
577.32257	100.0
578.32562	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	577.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.6
57.03448	1.4
58.00581	0.6
59.01378	33.1
59.30453	0.3
60.01702	0.3
61.98815	1.1
69.03458	0.4
69.21230	2.2
69.21934	0.3
71.01377	11.9
72.99304	0.6
73.02950	3.6
75.00829	0.4
77.90289	0.3
81.03470	0.3
83.01383	1.4
85.02953	3.6
87.00890	3.3
89.02445	4.4
94.54982	0.3
95.01364	1.1
97.02943	0.6
99.00848	0.8
99.04507	0.5
101.02438	7.5
103.10560	0.3
111.00823	0.3
112.01633	0.4
113.02444	3.5
119.03519	1.8
119.24014	0.3
124.01674	0.4
125.02414	0.9
125.09713	0.5
127.11233	0.4
137.61621	0.3
141.12822	0.3
155.10742	0.6
159.04454	0.4
161.04547	0.3
173.02394	0.7
174.03207	3.7
177.02071	0.3
189.05565	4.3
199.09726	0.6
201.01897	2.9
231.84708	0.3
233.04526	4.2
270.80530	0.3
293.24817	1.1
295.19406	0.6
295.22760	11.4
296.23221	0.4
303.61798	0.3
309.24371	0.4
311.22275	1.4
311.25888	3.2
313.23834	28.5
314.24283	1.9
325.23849	1.1
327.25299	0.7
329.27118	0.3
341.23199	0.4
355.24817	1.0
372.80249	0.3
373.25757	1.0
386.54547	0.3
455.30185	0.5
457.28098	6.4
473.31088	3.0
475.29083	24.5
476.29663	1.9
485.13940	0.3
515.32178	0.9
517.00977	0.3
517.30139	17.7
518.30371	1.4
533.29663	0.5
535.30957	1.5
559.31335	1.4
577.32233	100.0
578.32532	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	577.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18726	0.5
58.81937	0.5
59.01370	1.0
60.19538	0.5
63.96230	1.2
70.79914	0.7
70.80242	0.7
71.01379	7.1
73.02945	1.8
78.98586	6.0
79.62832	0.5
79.95731	10.0
80.96516	68.5
81.03446	0.7
84.08123	0.6
85.02953	3.1
87.00888	2.6
94.28081	0.5
94.98083	17.1
96.66764	0.5
96.95993	1.1
97.02952	0.9
99.00857	0.6
101.02411	2.5
106.98091	3.4
122.97618	2.3
125.02459	3.0
127.04012	0.9
134.97583	4.4
136.99138	1.7
148.99139	4.6
152.98630	5.7
164.98615	11.5
202.85274	0.6
206.99667	1.6
209.40604	0.7
225.00751	12.9
277.21716	1.4
299.04507	2.5
508.00613	0.5
564.87561	0.5
577.26849	100.0
578.27136	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.8
59.01381	5.5
61.98829	1.2
69.73988	2.0
69.74403	1.0
71.01391	1.9
73.02968	1.8
79.94933	0.5
82.33136	0.5
85.02949	1.3
87.04507	5.1
95.01360	0.5
97.02909	1.0
101.02447	1.8
116.92875	0.6
125.02459	1.2
135.08128	1.1
137.09708	3.6
137.39525	0.6
139.07669	1.1
145.02975	1.5
146.03746	3.2
151.11223	0.6
155.10783	16.3
159.04512	0.9
161.02472	1.4
163.03995	0.7
169.12354	1.2
173.02446	27.9
174.03215	90.3
175.03819	4.1
179.10774	1.4
181.08745	2.2
189.02019	3.0
189.05574	47.8
190.05939	1.9
191.10770	1.4
193.08778	1.0
195.10278	1.4
199.09760	29.8
200.10095	1.5
213.11365	1.1
218.02191	3.9
227.12891	0.5
233.04538	100.0
233.55295	0.6
234.04878	3.2
237.11357	1.0
241.10797	8.4
253.10829	2.6
255.12393	1.4
283.11868	15.3
284.12222	0.6
309.72769	0.5
343.13953	11.1
373.25879	1.2
541.78296	0.8
577.19263	7.2
577.32135	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75883	0.6
59.01378	35.9
60.01707	0.8
61.98813	1.9
63.01914	0.6
63.02877	0.8
66.23892	0.6
71.01366	1.3
71.50908	0.9
83.55262	0.6
101.02352	0.8
109.02949	0.9
117.03465	4.0
119.04967	0.7
132.21263	0.6
145.02945	2.5
147.04572	0.9
163.04010	1.4
173.02403	2.0
176.09323	0.7
201.01920	100.0
202.02254	2.5
250.62930	0.7
577.32355	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.5
63.96236	1.8
69.03437	0.5
70.50600	0.8
70.50947	1.1
71.01383	7.7
73.02942	2.3
78.98576	6.4
79.95731	12.6
80.96515	80.0
81.03441	0.9
83.35516	0.5
84.48646	0.6
85.02940	2.4
87.00877	2.6
94.98080	15.0
96.96041	1.0
97.02960	2.0
101.02442	1.6
106.98097	3.3
115.85619	0.6
122.97598	5.1
125.02425	2.2
134.97574	3.6
136.99165	0.8
148.99132	5.8
152.98640	6.4
159.45815	0.5
164.98628	9.9
182.99651	2.2
206.99673	1.8
225.00732	14.7
243.01781	1.2
277.21652	1.6
279.23331	0.6
299.04361	1.9
484.96436	0.7
577.26831	100.0
578.27167	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	577.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71947	0.5
57.03450	0.8
59.01373	4.2
69.19193	0.5
69.25161	1.8
69.25589	2.6
71.01372	1.1
73.02949	1.6
79.13478	0.4
85.02969	0.8
87.04500	2.0
101.02454	1.2
113.02472	0.5
116.12245	0.5
117.03477	3.8
133.01439	0.8
135.04543	0.7
135.08156	0.7
137.09723	2.7
145.02965	3.2
146.03796	2.3
147.04503	0.7
155.10773	14.8
161.02434	2.2
163.04010	1.2
169.12263	0.9
173.02428	18.7
174.03206	100.0
175.03641	3.3
181.08672	1.0
189.05557	91.6
190.05872	3.2
199.09737	13.3
201.01915	59.4
202.02217	1.8
213.11412	0.6
233.04527	97.2
234.04944	3.8
241.10782	3.9
253.10638	0.7
281.04453	2.4
283.11847	2.6
301.12808	1.0
343.13855	1.9
345.66351	0.4
373.25583	0.8
439.96573	0.6
478.05170	0.5
517.31244	0.6
523.87823	0.5
533.29718	0.7
577.19440	2.7
577.32037	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	577.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65398	0.7
57.03444	14.2
59.13541	0.8
62.48722	0.7
65.96106	0.8
70.02194	1.9
70.02603	2.2
81.03459	2.3
83.01390	4.5
91.32758	0.9
93.03459	1.2
95.05042	1.9
97.02938	3.9
106.54967	0.9
107.04988	1.4
109.02946	20.9
111.22092	0.9
120.50908	0.8
121.02953	5.0
122.03705	1.7
123.00893	0.8
123.04517	15.0
125.02437	100.0
131.05014	1.1
133.02957	3.8
135.04529	2.9
137.02440	21.9
139.03999	3.5
145.03001	0.9
145.52484	0.9
146.03716	1.0
147.04482	1.0
149.02449	5.5
150.03198	1.2
151.04002	13.9
158.03796	1.3
159.04440	1.7
161.02431	28.7
161.06105	4.2
162.03159	1.3
163.00343	2.4
163.03973	3.1
164.01147	4.3
165.01894	3.8
167.03435	1.4
173.06085	1.1
174.03217	0.9
175.03984	10.7
175.07623	2.3
177.01903	6.8
177.05438	0.9
178.02747	0.8
179.03499	4.7
181.05048	2.2
187.04045	5.6
188.04739	2.8
193.05115	1.4
199.03995	1.2
199.07613	1.1
201.05493	2.0
202.06326	2.1
203.03491	3.0
203.07144	10.3
205.01370	2.5
205.05043	7.0
215.03375	1.2
217.05035	1.7
217.08656	1.1
221.08206	1.3
227.03493	1.4
227.07144	2.0
229.05020	2.6
230.05856	1.2
231.02882	1.3
243.03006	2.0
245.04512	5.3
245.08165	13.5
246.04997	0.9
247.06027	1.8
255.02954	8.8
256.03738	5.3
257.04498	1.6
269.04419	2.1
273.04129	4.4
281.04483	3.1
283.02554	2.2
285.04031	2.5
287.05618	8.7
289.07153	75.2
290.07541	4.4
297.03915	1.4
299.05472	6.1
329.06555	1.7
339.08707	3.5
343.10349	1.1
381.09570	3.5
407.07672	64.2
408.07904	3.4
425.08713	18.8
425.14423	1.1
426.09073	1.8
449.08356	1.5
451.10321	12.6
452.10626	1.1
467.09531	0.9
476.22562	0.8
559.12036	1.7
577.13202	7.8
578.14514	1.2
595.44739	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1564
Annotation	Isovitexin 4'-O-rhamnopyranoside
Peak:m/z	Relative Intensity
57.03447	0.8
58.00595	1.2
59.01382	36.4
60.01706	0.6
60.56171	0.4
71.01389	8.9
72.99305	2.0
73.02943	3.8
74.25077	0.4
76.31889	0.4
81.03497	0.5
85.02956	5.5
89.02451	4.7
93.03440	0.4
98.19920	0.9
99.04551	0.6
101.02431	3.9
103.04007	2.8
109.02997	0.5
117.03455	7.4
119.03513	1.4
131.01425	2.1
133.01477	0.5
135.04515	0.5
149.02469	0.5
159.04532	0.7
161.02414	1.3
163.00383	1.2
173.02464	2.6
175.00362	10.3
175.01830	0.8
190.12103	0.5
197.05998	0.5
209.06062	0.5
237.05504	0.8
239.07109	0.6
253.05174	1.2
265.05045	0.7
268.03891	0.5
269.04550	9.0
270.05060	0.6
279.06503	1.0
281.04568	7.6
282.05301	7.5
283.06134	8.6
284.06519	0.7
293.04562	95.9
294.04932	5.8
295.06107	4.6
300.05154	0.4
301.10977	0.6
307.06024	1.0
309.04025	1.2
310.04977	0.5
311.05600	12.3
312.05881	0.7
314.04190	2.8
321.04224	0.7
323.05582	11.0
324.05933	0.7
324.26111	0.5
325.07523	0.8
335.05658	3.5
337.07510	0.5
341.06693	7.7
353.06656	2.6
355.08328	1.1
377.06720	0.8
383.07349	0.5
395.07529	1.0
413.08771	45.2
414.09009	3.7
431.09805	0.9
441.32339	0.5
457.11420	7.1
464.13397	0.5
577.15631	100.0
578.15936	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	576.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44378	0.3
56.62375	0.3
59.01381	24.9
70.50386	1.0
78.95906	27.5
83.05034	0.4
87.11270	0.3
122.98579	0.3
124.38799	0.3
127.07631	0.3
127.82243	0.3
136.46376	0.3
152.99582	3.1
168.04317	3.3
224.06935	10.5
225.07256	0.4
233.23001	0.3
237.68573	0.3
242.08023	3.0
259.20645	0.4
275.20078	0.4
276.42499	0.3
277.21719	100.0
278.22043	4.9
287.00797	0.3
340.97092	0.3
342.18231	0.3
502.29419	74.6
503.29807	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	576.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27932	0.3
57.61265	0.3
59.01376	19.3
61.98820	0.7
68.66216	0.3
69.92918	1.3
78.95898	7.2
83.05031	0.3
127.07638	0.3
152.99619	1.5
168.04279	1.5
224.06842	1.3
235.30287	0.3
242.07935	3.4
259.20505	0.4
277.21689	100.0
278.22031	5.2
393.12277	0.3
467.15460	0.3
483.89426	0.3
502.29361	32.7
503.29483	2.4
517.04596	0.3
542.97705	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	16.5
62.09526	1.3
69.51176	4.6
69.51599	3.1
71.23019	1.1
72.62892	1.1
72.65606	1.3
74.71072	1.2
81.03451	2.1
82.61147	1.2
83.01379	3.3
95.05044	2.5
95.40569	1.3
97.02965	4.1
99.04384	1.3
99.12158	1.3
107.05013	2.3
109.02234	1.8
109.02953	21.3
121.02944	4.3
122.03689	1.6
123.04534	16.5
125.02451	100.0
126.02774	2.7
131.05063	1.5
133.02940	3.9
135.04539	3.6
137.02449	23.1
139.03975	3.9
145.02959	2.0
149.02431	5.2
150.03154	1.6
151.03995	12.8
152.78116	1.3
159.04588	2.9
160.05191	1.6
161.02443	29.0
161.06079	3.7
163.00351	3.5
163.04002	2.6
164.01132	4.4
165.01949	4.3
175.04018	10.9
175.07590	1.2
177.01923	6.9
179.03476	5.4
185.05959	1.4
187.04012	8.1
188.04745	2.9
199.04010	1.8
201.05522	1.9
202.06352	1.6
202.68398	1.3
203.07156	9.1
205.01399	2.9
205.05040	8.3
209.29730	1.3
211.03905	1.3
217.05019	1.4
221.08183	1.3
227.03528	2.2
227.07141	1.4
229.04951	3.6
243.02940	1.4
243.06856	1.3
245.04524	6.2
245.08182	11.2
255.02972	9.4
256.03699	6.3
267.42819	1.3
269.04489	2.5
273.04047	4.1
281.04532	3.9
283.02646	1.4
285.03906	3.9
287.05594	10.9
289.07184	72.2
290.07565	2.1
299.05606	7.2
328.06104	1.5
329.06729	2.2
339.08624	3.7
372.10895	1.3
376.95538	1.6
381.09738	3.2
381.14487	1.5
407.07690	65.7
408.07959	4.7
425.08771	22.2
451.10287	11.7
465.84119	1.5
563.46680	1.2
570.50598	1.4
577.13391	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	576.302
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87532	0.5
57.16988	0.5
61.98829	100.0
70.35998	1.7
70.36346	0.6
71.01360	1.1
72.84538	0.4
78.98602	0.5
79.95741	1.2
80.96513	12.2
94.98105	2.6
96.23904	0.6
122.97569	0.6
134.97691	0.7
148.99089	0.9
152.98677	1.0
164.98645	2.3
225.00867	2.0
277.21991	0.7
278.22137	1.1
577.26843	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	576.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
59.70716	0.3
61.98829	100.0
70.97983	0.7
70.98349	0.5
80.96514	2.4
94.98100	0.6
116.33897	0.3
152.98677	0.4
163.00166	0.4
170.06935	0.3
188.44148	0.3
225.00713	0.5
247.11089	0.3
277.21704	0.4
278.22147	0.7
376.75934	0.4
397.29999	0.4
556.56641	0.4
577.26819	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	576.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.1
57.02171	1.3
57.03450	35.3
58.00576	1.9
58.03798	1.3
59.01378	99.6
59.99327	1.4
60.01711	2.7
61.98830	100.0
68.97614	1.4
69.03452	8.1
69.85262	1.2
71.01382	31.7
71.04987	1.4
71.50665	3.0
72.99305	1.8
73.02942	21.2
73.97430	1.3
81.03458	2.8
83.01383	6.9
83.05009	1.7
85.02953	12.0
87.00880	3.2
89.02441	15.7
95.01394	2.8
96.95965	2.3
97.02939	3.2
99.00856	4.9
99.04521	54.9
100.04875	1.6
101.02446	32.9
113.02447	19.0
115.92038	1.9
116.92855	7.9
117.92902	2.0
119.03506	8.6
123.04441	2.0
125.02454	26.6
128.33846	1.5
131.03426	1.7
137.09703	3.9
143.03505	7.5
149.04500	3.1
153.00653	1.4
161.04576	11.3
171.10101	1.6
179.05603	5.5
185.00923	3.9
221.06633	2.8
295.68365	1.5
297.70596	1.6
311.12888	2.6
311.25366	1.3
323.09894	2.7
355.24988	2.7
371.24380	2.2
372.24692	4.1
373.26004	5.9
408.87946	1.5
411.20267	1.9
513.23401	17.1
515.28760	2.5
516.28827	13.2
517.30267	27.6
532.27863	2.8
533.29755	2.0
534.29889	5.3
535.31335	8.1
558.30475	1.8
576.31201	19.3
577.32330	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	575.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67793	0.8
59.01376	16.1
61.98811	0.7
62.99235	0.7
69.19806	7.1
71.01382	3.7
74.72520	0.7
83.00690	0.7
89.02419	1.6
97.06599	0.6
98.86278	0.7
101.02429	3.3
113.02470	1.5
119.03526	0.8
161.04538	1.0
235.08241	1.2
239.80272	0.7
248.46835	0.7
253.09286	13.1
269.10312	0.8
279.23285	100.0
280.23645	4.9
343.23981	0.8
359.03009	0.9
399.89465	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.9
55.64949	0.2
57.03434	1.0
58.00584	0.6
58.70704	0.2
59.01376	23.4
59.41760	0.2
60.01680	0.3
61.98813	0.6
62.05937	0.2
67.87488	0.2
69.03440	0.6
69.50546	0.8
69.50953	0.4
71.01379	10.9
71.05009	0.8
72.99306	0.9
73.02941	6.2
83.01375	2.0
83.05016	0.3
85.02951	3.4
87.00872	2.5
87.04500	0.6
88.98788	0.3
89.01940	0.3
89.02446	3.4
95.01376	0.9
97.02962	0.5
97.06594	0.4
98.19870	0.2
99.00870	0.9
99.04499	0.3
100.93249	0.2
101.01805	0.3
101.02439	6.1
111.00874	0.2
111.08151	0.2
112.01616	0.4
113.02450	2.9
115.92027	0.2
119.03486	1.0
123.08124	0.8
125.02456	1.0
125.09716	2.2
137.02368	0.2
137.09695	0.5
139.07692	0.2
139.11290	0.5
141.09186	0.3
141.12860	0.4
143.03500	0.3
143.10757	0.3
151.11192	0.4
153.09161	0.6
155.10770	0.8
157.12308	0.2
167.10725	0.3
169.12283	0.3
171.08821	0.3
171.10265	6.1
183.13971	0.2
185.11784	0.8
199.09706	0.3
203.03539	0.4
205.42259	0.2
210.06790	0.3
214.11987	0.3
215.12871	0.6
228.13504	0.3
252.87172	0.2
254.05836	0.3
265.18048	1.1
281.17490	0.6
283.19150	0.4
311.22351	0.2
317.21222	0.2
323.22211	0.6
325.23663	0.2
335.22278	0.6
337.23956	0.3
341.23331	2.2
353.23325	6.6
353.27621	0.4
354.23602	0.4
369.22824	0.3
371.24329	14.3
372.24695	0.8
380.44730	0.2
389.18173	0.5
395.24167	0.2
481.66382	0.2
497.28171	0.2
515.28546	9.5
516.29010	1.0
522.67615	0.2
531.27777	0.8
533.29645	14.7
534.29999	1.1
557.29260	0.4
575.30652	100.0
576.30957	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	575.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33165	0.2
55.01866	0.6
57.03431	0.8
58.00587	0.4
59.01376	19.2
61.98821	0.3
63.24596	0.2
65.63864	0.2
65.81390	0.2
69.03435	0.6
70.82650	0.5
71.01377	6.7
71.05009	0.4
72.99309	0.8
73.02943	7.7
73.07703	0.2
82.20497	0.2
83.01366	1.1
83.05026	0.2
85.02943	2.9
86.00098	0.2
87.00877	1.8
87.04506	0.5
88.98804	0.2
89.02438	1.9
95.01379	0.5
95.04990	0.2
97.02950	0.4
97.06572	0.6
99.00861	0.6
101.02432	3.6
106.56956	0.2
113.02449	2.0
113.06080	0.3
119.03477	0.7
123.08128	1.0
124.01652	0.4
125.02407	0.5
125.09727	3.1
135.04475	0.2
137.09700	0.4
139.07600	0.2
139.11238	0.6
141.09195	0.5
141.12817	0.4
142.02762	0.2
142.19360	0.2
143.10783	0.5
153.09169	0.9
153.12811	0.3
155.10739	0.8
169.12309	0.3
171.10249	7.2
172.10687	0.4
181.12256	0.2
185.11807	0.5
197.11797	0.3
199.09666	0.3
199.13344	0.2
200.10492	0.4
211.13448	0.3
214.95427	0.2
215.12866	1.1
227.12820	0.4
251.16554	0.2
258.01602	0.2
265.18011	0.3
281.17621	0.3
311.22153	0.3
323.22232	0.8
325.23810	0.4
335.22220	0.7
337.23792	0.4
341.23242	5.7
342.23636	0.3
353.23282	5.2
354.23642	0.3
355.24863	5.6
356.25214	0.3
369.22705	0.5
371.24329	13.7
372.24677	0.8
423.23923	0.3
456.87476	0.2
485.27377	0.5
503.28735	0.9
515.28473	4.3
516.29431	0.3
531.28522	1.0
533.29657	9.0
534.29944	0.9
536.97565	0.2
545.29889	0.3
557.29578	0.5
575.30670	100.0
576.31024	10.6
576.40393	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	53.0
60.01714	0.2
61.98835	1.1
69.19017	1.9
71.01381	1.0
85.02940	0.3
88.98804	0.8
89.02457	0.7
101.02458	0.8
113.02451	0.3
117.03459	3.8
117.25625	0.2
119.03468	0.3
119.05042	0.4
125.02486	0.4
145.02948	2.3
147.04515	0.5
159.04565	0.6
163.04028	1.7
163.11417	0.2
173.02432	2.6
173.03761	0.4
187.84270	0.2
201.01917	100.0
202.02266	3.0
203.03537	0.3
266.85602	0.2
327.25430	1.0
329.48160	0.2
337.41577	0.2
342.83594	0.2
392.99115	0.2
402.04324	0.2
504.00192	0.2
531.31866	2.1
533.33466	0.3
566.86926	0.2
575.34564	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	575.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53476	0.8
50.58275	0.7
51.61779	0.7
58.32167	0.7
59.01379	62.3
59.98835	0.8
60.01704	0.9
61.98816	2.9
71.01376	2.8
71.50878	0.7
82.82932	0.7
89.02432	1.7
93.55780	0.8
99.44608	0.8
101.02439	1.0
117.03441	2.8
132.38274	0.8
145.02933	1.7
147.04370	1.0
163.03969	1.3
165.29454	0.8
173.02370	3.2
174.03185	0.9
182.45395	0.8
201.01923	100.0
202.02266	2.9
203.14148	0.7
334.61151	0.9
533.33032	1.3
575.32825	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	1.3
57.03448	11.8
58.00586	1.4
59.01380	100.0
61.98820	5.9
69.03448	1.7
69.18281	10.0
71.01016	1.7
71.01382	28.7
71.05012	1.2
72.99313	1.5
73.02951	19.7
73.70137	1.2
75.00884	1.3
83.01386	6.2
83.59462	1.0
85.02960	8.3
87.00861	4.3
87.04525	2.2
88.98798	1.7
89.02442	9.9
95.01378	2.6
96.96005	14.2
97.06559	1.5
99.00865	2.0
99.04527	8.8
101.01809	1.5
101.02446	21.7
113.02444	9.3
119.03488	3.8
123.04551	1.7
125.02438	4.1
135.04500	3.4
137.02438	2.9
153.05525	1.2
155.10654	1.3
159.04485	2.6
161.04512	3.8
171.10236	4.9
173.02473	1.5
174.03169	1.5
175.03960	2.3
179.03488	2.2
179.05644	1.3
182.05449	1.0
201.01926	4.5
203.03493	2.2
229.08644	1.3
245.51651	1.2
279.19794	1.2
309.20929	2.9
309.24277	1.8
327.25388	2.9
341.23260	1.2
353.23450	5.9
371.24353	12.4
413.12527	1.9
451.32434	1.6
513.27234	4.1
515.28241	7.2
531.28082	64.6
532.28632	6.4
533.29675	12.3
575.30652	87.1
576.31189	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	575.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89392	3.1
59.01351	3.1
70.96893	7.6
71.01380	32.8
89.02422	4.3
93.03443	10.0
108.02144	6.5
109.02949	19.5
115.00386	47.4
116.44408	2.9
117.61091	3.0
119.05019	36.4
122.03743	3.9
133.00467	6.1
133.01440	100.0
135.04529	75.2
136.04782	3.5
149.06062	17.5
156.39351	3.0
159.48833	3.7
161.06180	3.3
163.04015	40.2
172.65166	3.0
173.05896	3.1
174.01666	9.6
179.03499	77.8
226.06265	7.7
227.07010	6.8
255.10260	80.4
256.10532	3.2
299.09317	20.5
343.08231	86.7
344.08325	4.5
364.13336	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	575.213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59908	0.5
59.01373	3.6
61.98806	0.5
70.26003	0.4
71.01374	1.3
73.02952	0.9
83.05035	0.6
89.41382	0.5
101.02415	1.2
102.04755	0.9
103.05547	4.6
106.15859	0.5
113.02406	0.5
125.02458	0.7
130.04242	19.2
131.05013	1.2
149.06061	8.4
159.04506	100.0
160.04840	3.4
165.12811	3.6
183.13898	10.0
201.01907	1.0
203.03490	67.9
203.14333	0.6
204.03740	1.7
207.13902	1.7
221.15506	1.9
227.12862	8.5
231.13861	0.6
233.11794	1.5
237.14783	0.6
249.14900	1.3
251.12863	5.5
263.12836	0.8
265.14548	2.8
275.12897	2.8
281.00827	0.5
281.13925	1.1
293.13928	22.3
294.14212	0.9
371.17087	10.9
381.09952	0.7
543.14551	1.0
575.21210	9.1
576.21497	1.5
595.61304	0.6
603.34222	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	59.2
58.03785	2.4
59.01381	98.8
61.98829	100.0
69.03435	5.3
69.47746	8.7
69.48174	9.9
71.01378	40.0
72.62656	2.6
72.99271	3.9
73.02944	29.9
81.03410	4.1
83.01382	5.4
83.05003	2.9
85.02936	9.8
89.02436	26.9
95.01382	3.7
96.96014	26.5
99.00877	3.2
99.03919	4.7
99.04519	66.5
99.92599	6.2
100.04865	3.3
101.02449	46.8
113.02464	21.6
113.06125	3.4
115.03966	2.7
115.92049	8.0
116.92876	20.0
119.03472	11.2
123.04517	10.4
125.02436	38.7
131.03476	5.8
143.03468	7.8
146.41859	3.0
149.04506	8.1
152.82991	2.8
161.04570	32.2
179.05627	13.5
185.00844	3.6
187.11258	23.9
192.57582	2.7
203.05656	2.6
206.04491	2.9
221.06694	3.5
233.06627	3.0
263.07745	7.0
323.09708	20.1
467.22272	3.1
511.22018	18.0
514.27045	3.6
515.28339	6.9
530.26227	3.2
531.27405	3.9
574.30316	13.3
575.13269	3.0
575.30719	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54490	0.6
58.81508	0.5
59.01399	0.5
69.55953	3.3
69.56252	1.0
71.01384	9.4
93.03464	2.2
102.21964	0.5
107.05070	0.8
109.02965	9.2
115.00375	10.4
117.03477	0.8
119.05029	21.9
120.05321	0.8
121.02937	1.2
122.03762	1.7
126.57774	0.5
133.01436	4.9
133.06602	1.6
134.03764	1.6
135.04529	100.0
136.04875	1.8
149.06047	0.7
161.06122	2.5
163.04015	18.4
179.03499	71.7
180.03867	2.1
193.27336	0.6
195.66083	0.5
227.07126	0.8
239.07135	2.3
253.08701	1.0
255.10268	54.4
256.10663	3.1
299.09250	12.7
325.10641	0.7
331.44977	0.6
343.08218	51.6
344.08508	2.8
459.09406	1.4
575.11139	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	21.4
60.23866	1.3
61.98832	10.5
64.32315	1.5
71.01381	8.5
71.06924	3.2
85.02953	1.6
89.02447	6.7
89.02966	1.5
101.02447	6.8
102.87726	1.4
112.78818	1.4
113.02423	3.0
120.68377	1.5
131.35672	1.6
161.04539	3.3
253.09258	24.2
277.21698	100.0
278.22034	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	573.255
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	72.3
58.03775	0.6
59.01378	90.9
60.01720	0.4
61.98824	0.3
63.54446	0.2
69.03449	1.4
69.22004	1.8
69.22399	0.4
71.01381	4.6
72.99298	0.2
73.02943	3.1
81.03450	3.3
83.01402	1.1
85.02959	1.5
87.00849	0.4
89.02452	1.4
96.96014	0.4
97.02951	0.7
99.00878	0.6
99.04517	100.0
99.92574	0.5
100.04864	1.2
100.29108	0.3
101.02441	13.0
102.02823	0.3
108.04722	0.2
111.00857	0.3
113.02443	1.9
115.00394	0.2
115.92114	0.3
116.92852	1.6
119.03461	0.4
125.02444	44.0
126.02752	0.7
133.01402	0.2
135.04543	0.3
143.03484	2.1
144.04597	0.2
153.09286	1.1
161.04530	0.9
164.33418	0.2
174.01668	0.5
176.02158	0.2
176.03621	0.3
179.05682	0.2
180.68323	0.2
185.00874	0.7
189.12856	0.6
190.04994	0.4
225.11203	0.4
225.14926	1.4
225.66275	0.2
249.08749	0.4
369.19107	2.3
370.19495	0.3
387.20102	1.0
411.20123	0.6
419.28769	0.3
429.21173	4.7
430.21460	0.3
471.22324	1.5
511.24695	0.3
529.26501	0.3
540.81525	0.3
573.29437	1.2
597.58746	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1994
Annotation	12beta-Acetoxyharrisonin
Peak:m/z	Relative Intensity
53.47667	1.0
59.01372	7.3
61.98825	2.0
66.16860	1.2
71.50616	1.4
73.02940	4.3
85.02972	1.5
142.99774	1.2
248.36467	1.2
252.62334	1.2
277.21689	2.2
427.14389	1.9
428.14606	1.5
441.15546	2.7
442.16376	5.0
456.18198	2.8
457.18790	4.4
469.18781	10.4
470.19080	2.6
474.15475	14.5
485.21622	4.0
487.19937	2.2
488.17233	7.6
501.17917	2.0
529.20953	28.0
530.21204	3.8
573.19965	100.0
574.20221	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	573.255
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	3.7
58.00599	1.5
59.01378	100.0
61.98823	1.8
65.00292	1.3
69.03439	4.1
69.50327	6.7
71.01379	20.0
71.05038	1.4
72.99294	1.8
73.02561	1.9
73.02946	26.9
73.74499	1.0
83.01387	6.1
83.05012	2.1
84.68511	1.2
85.02939	4.7
87.00861	1.7
89.02454	5.4
95.01317	1.3
97.02930	1.9
98.19954	2.2
99.00864	1.1
99.04493	3.5
101.02439	18.8
109.02905	1.5
113.02431	6.7
119.03449	1.5
125.02378	2.0
133.02925	3.1
137.06064	1.6
149.02448	1.8
149.06046	2.5
161.04526	3.6
167.07065	1.4
175.03944	2.5
178.97423	1.2
185.00957	2.4
199.03929	2.9
201.01889	2.0
205.05031	1.7
217.04944	2.7
221.15446	1.6
235.06111	2.9
240.04253	1.7
245.18896	1.2
255.81857	1.1
289.08658	1.2
307.19101	9.6
307.77356	1.1
339.08740	6.0
351.08743	9.7
367.27280	1.3
369.09735	51.8
370.10022	3.5
373.26093	2.5
375.27408	3.6
387.23953	1.5
392.20712	1.3
469.24280	2.1
487.25629	2.3
511.25452	3.1
513.26965	3.1
529.26501	65.0
530.26910	6.9
531.27972	2.1
573.16052	34.4
573.29089	12.1
574.16357	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	573.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57442	0.2
57.03456	0.4
59.01383	8.3
61.13663	0.2
61.98839	1.2
71.01378	1.9
73.02025	0.2
73.02950	1.4
78.20907	0.3
83.01385	0.6
85.02967	1.0
88.98814	0.4
89.02473	0.5
96.95994	0.3
98.20689	0.4
99.04569	0.4
101.02459	1.3
103.05531	2.4
107.59300	0.3
113.02467	0.9
121.06600	0.3
125.02468	0.3
130.04251	10.4
131.04997	0.8
135.08153	0.3
136.07465	0.3
149.06090	4.9
159.04524	100.0
160.04855	3.9
161.04601	0.8
163.11346	0.4
173.02487	0.3
175.03964	0.3
177.53822	0.3
181.12340	3.2
195.13901	0.3
201.01917	0.2
203.03511	49.9
204.03856	2.0
225.11331	4.6
226.79805	0.3
229.43739	0.3
231.10352	0.4
249.11311	0.3
267.12390	1.0
291.12415	1.4
327.14572	0.7
351.12347	0.5
369.15387	0.8
369.30057	0.3
513.34418	2.5
531.35571	0.6
573.19781	4.0
573.28400	0.4
574.20343	0.4
602.48340	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15139	0.6
57.03458	1.0
57.44003	0.6
59.01378	11.9
59.90612	0.6
61.98832	9.5
65.00340	0.7
69.03419	0.9
69.43018	4.0
69.43429	1.2
71.01379	2.8
73.02940	3.0
78.95905	0.8
83.01376	2.0
85.02961	1.4
87.04517	2.2
97.02919	1.1
101.02448	1.9
102.04766	1.0
103.05544	5.1
107.88168	0.6
109.06626	0.8
119.05022	2.2
121.02941	0.8
121.06585	0.7
123.04530	1.5
125.02399	0.8
130.04243	21.3
131.04919	2.2
133.01338	0.7
133.51125	0.8
135.08192	0.8
137.06061	1.2
141.58693	0.7
149.06065	9.2
159.04510	100.0
160.04901	3.3
163.11319	1.3
181.12326	7.3
183.23930	0.7
201.01926	1.5
203.03494	76.1
204.03831	1.9
205.12335	1.4
225.11331	10.4
231.10231	5.0
247.13388	1.6
249.11235	5.0
261.11462	0.8
263.12851	2.6
267.12393	1.4
271.78949	0.7
291.12363	14.6
292.12698	1.3
309.13568	1.4
369.15601	8.3
528.14160	0.7
529.30334	1.2
573.20410	7.3
573.28809	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2883
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
70.19288	0.6
70.25336	2.2
78.95900	65.3
96.96957	14.1
98.20011	0.7
101.41109	0.6
103.04472	0.5
118.19272	0.6
150.98024	1.1
152.99577	57.4
153.14552	0.8
223.00159	2.1
241.01160	31.7
255.23267	76.3
256.23605	5.4
315.04922	10.3
333.05637	0.7
391.22586	6.0
392.22418	0.7
478.48065	0.6
571.28833	100.0
572.29199	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	573.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	4.1
58.00599	1.7
59.01381	10.2
71.01382	4.2
73.02946	9.8
74.58450	0.5
79.05450	0.5
79.95736	0.8
80.20349	0.5
83.01382	1.1
85.02934	1.2
87.00888	1.0
87.04536	0.6
89.02444	1.1
94.23270	0.6
95.01347	0.8
95.05072	0.9
96.96011	20.6
97.02964	1.6
97.06592	8.2
98.19848	1.0
98.95599	11.2
98.96424	2.4
99.00877	0.8
99.04526	5.9
99.92585	21.2
100.92683	0.7
100.93362	2.4
101.02425	3.0
103.00340	0.6
108.02180	1.1
113.02438	1.8
115.92081	32.5
116.92863	100.0
117.92874	3.0
119.03535	0.8
121.02951	1.5
121.06620	0.9
122.03745	1.4
123.04530	10.7
125.02457	3.1
135.04546	1.2
140.92831	0.9
141.05586	5.9
141.93671	1.2
142.94479	1.0
145.02956	1.3
149.02461	2.1
150.03227	18.4
151.03987	2.0
153.09198	1.1
156.92294	0.6
158.93924	0.8
161.02423	1.4
161.04543	0.9
162.03250	0.9
163.04024	1.0
164.04831	0.8
165.05579	19.0
169.93291	0.6
174.93315	0.6
180.04320	1.6
184.91835	2.1
195.04840	0.8
195.06627	14.1
195.08342	1.0
215.09335	1.4
226.96568	1.6
244.97534	0.9
285.09814	1.0
309.07990	0.8
314.01007	1.4
327.10910	1.0
356.64212	0.6
371.19565	0.6
397.60718	0.6
451.10812	4.6
451.15991	0.8
451.90286	0.6
452.11209	0.9
469.11707	13.3
470.11917	1.2
487.12766	2.6
493.11899	2.1
496.85834	0.7
511.12668	2.3
525.19812	1.8
529.13983	5.1
537.10657	15.2
537.18866	1.1
538.10980	1.8
555.20837	4.3
573.12823	11.2
573.21967	20.9
574.13074	1.3
574.21960	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	0.4
59.01379	3.1
61.98824	1.1
65.00297	0.2
69.03448	0.4
69.25273	1.8
69.25684	0.4
71.01383	1.1
73.02929	0.3
75.31038	0.2
83.01378	0.4
85.02926	0.6
87.79829	0.2
89.02430	0.4
97.02937	0.5
101.02438	0.9
103.05553	1.9
113.02440	0.6
115.05583	0.3
121.06573	0.4
130.04236	10.4
131.05005	0.9
133.01456	0.3
135.04494	0.3
149.06078	5.1
159.04506	100.0
160.04852	2.8
161.09740	0.9
175.03987	0.4
177.01959	0.3
179.10732	1.9
183.11707	0.3
201.01967	0.3
203.03491	46.7
204.03790	1.4
214.02672	0.6
216.98170	0.2
221.11813	0.4
223.09708	1.0
229.08614	0.4
231.10382	0.3
246.01653	0.7
265.10876	0.5
267.06708	0.4
271.34366	0.2
289.10886	0.3
307.11865	0.3
323.12927	0.9
325.12878	0.7
349.10733	0.3
367.12128	2.8
391.11990	0.8
409.12762	0.5
508.24197	0.3
511.16141	0.3
553.17169	0.3
570.29987	0.3
571.18243	2.7
571.27289	0.3
571.30377	0.3
572.18549	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.6
59.01381	8.3
59.01844	0.4
61.98827	2.0
65.00346	0.4
69.03459	0.7
69.44953	1.4
69.45388	1.1
71.01378	2.7
72.50674	0.4
72.99274	0.4
73.02935	1.5
74.12764	0.4
76.70007	0.4
78.34683	0.3
83.01376	2.8
83.05028	0.5
85.02957	1.5
89.02457	0.7
95.01349	0.5
97.02953	0.6
98.20671	0.4
99.00881	0.5
99.04507	0.5
101.02448	1.3
102.04774	0.9
103.05521	4.4
111.04520	0.6
113.02429	1.0
115.00351	0.4
115.05479	0.5
121.06573	0.7
125.02418	0.8
128.64748	0.4
130.04239	20.0
131.05086	1.9
135.04527	0.7
135.11786	0.6
149.06071	8.7
149.09486	0.5
150.06491	0.4
159.04509	100.0
159.11818	0.8
159.73538	0.4
160.04822	3.1
161.04587	0.4
161.09703	2.9
175.11302	0.5
177.12888	0.4
179.10764	4.7
185.09631	0.7
197.09698	0.4
201.12827	1.0
203.03494	80.5
203.10741	3.6
204.03888	1.9
207.42833	0.4
221.11864	0.5
223.09717	1.6
227.10695	0.5
229.08617	1.9
231.10306	1.2
233.13757	0.4
245.11894	1.4
247.09752	1.4
261.11292	0.4
265.10815	0.8
289.10797	2.1
307.11694	1.8
367.13962	6.4
375.07440	0.4
455.81757	0.4
571.18268	8.4
571.26971	0.6
572.18652	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38765	0.7
59.01378	18.8
61.98829	100.0
69.03452	1.0
70.06434	0.8
71.01381	11.5
71.51282	1.0
73.02944	15.9
78.13870	0.7
83.01381	4.8
85.02978	1.8
89.02458	1.4
99.04526	0.9
101.02432	10.5
113.02459	3.3
125.02457	1.2
143.03481	1.9
155.03531	1.0
159.04593	1.1
161.04547	1.2
189.09207	1.2
199.07640	4.3
203.05545	1.2
211.04039	3.1
212.04854	0.9
220.01952	0.7
227.07150	9.9
241.08757	1.8
259.09747	11.4
260.10117	1.1
273.11411	1.9
301.10846	5.3
331.11594	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.6
59.01377	3.3
61.68136	0.2
70.64638	0.5
70.64968	0.3
71.01389	1.3
73.02946	0.5
79.22333	0.3
79.95733	2.6
83.01385	0.2
89.02444	0.6
96.96011	100.0
97.02945	0.2
97.93147	0.5
99.04482	0.3
101.02423	0.5
113.02429	0.3
113.92622	0.4
114.93404	1.7
115.00397	0.5
116.92865	0.5
125.02518	0.2
133.01430	0.7
135.04532	0.5
149.02473	0.3
149.06056	0.3
150.03285	0.4
165.05586	0.4
179.03517	0.4
193.03262	0.3
193.05069	0.7
245.15472	0.5
260.91287	0.2
273.13312	0.2
292.13882	0.2
369.19226	0.8
387.20273	0.3
429.21228	0.7
452.49982	0.3
455.13647	0.3
462.66406	0.3
535.11768	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	8.6
61.98828	100.0
68.19476	0.5
69.03439	0.6
69.97226	2.1
71.01376	4.9
72.07941	0.6
73.02943	6.6
83.01385	1.5
93.20760	0.5
97.02938	0.5
101.02432	4.3
113.02460	1.2
118.02165	0.5
121.02998	0.5
125.02439	0.9
155.03568	0.5
159.04530	1.3
189.09303	0.7
201.02032	0.6
203.03613	0.8
215.10823	1.1
259.09741	7.6
295.76254	0.6
301.10712	2.7
311.65308	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.2
57.03437	1.6
59.01379	34.2
61.98829	1.2
70.45851	2.2
71.01381	17.3
72.99307	1.1
73.02946	23.2
75.00871	0.9
83.01403	2.0
85.02950	7.5
87.00881	1.0
87.04527	1.1
89.02446	9.6
95.01392	1.5
97.06586	1.1
99.00880	2.2
101.02444	15.1
113.02454	7.8
115.00381	0.8
119.03488	4.6
123.08160	2.4
125.52637	0.7
127.45159	0.6
129.09206	0.7
131.03528	0.7
133.01477	0.7
135.04538	1.3
139.11208	1.0
141.09227	0.8
143.10818	0.7
149.09628	0.9
153.09221	1.4
159.03040	0.7
161.04552	1.9
179.03540	1.0
191.03975	0.7
191.05632	2.9
193.84200	0.6
235.17027	4.4
245.18735	0.8
247.24359	0.6
253.18120	2.1
271.19116	1.7
306.80865	0.6
343.24881	2.9
345.22815	9.3
374.15204	0.7
387.23642	1.4
405.24921	22.0
406.25180	1.4
447.26068	0.7
493.26541	9.1
494.27213	0.9
505.30450	0.8
507.21457	1.0
507.27881	6.8
549.28961	1.9
567.30170	100.0
568.30560	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	568.297
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21054	3.5
59.29534	3.2
61.98828	59.0
62.89942	3.8
70.97610	8.5
71.22153	3.6
78.95911	15.5
85.02926	5.8
102.50443	3.7
120.65363	3.4
147.55545	3.5
152.99597	26.3
174.25949	3.8
255.23296	100.0
483.27042	61.7
484.27887	5.5
505.30130	39.6
525.25739	4.8
568.25793	12.5
593.81567	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	567.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	3.9
57.70578	0.7
58.00587	1.1
59.01377	27.2
60.01734	0.7
61.98814	3.1
64.01537	0.7
69.03448	0.8
71.01377	15.7
71.05019	0.7
72.99287	1.6
73.02952	4.5
75.00856	1.4
83.01384	2.7
83.05064	0.8
85.02950	6.2
87.00870	1.1
87.04530	0.8
88.98784	1.2
89.02448	9.6
95.01368	2.1
95.04861	0.6
96.96013	1.3
97.06560	1.1
99.00881	1.2
99.04499	0.9
99.34050	0.7
101.02435	12.5
113.02447	5.2
115.00336	0.9
115.04001	0.8
119.03498	2.9
123.08129	1.8
125.02487	1.1
128.03508	0.9
133.01337	1.1
135.04500	1.2
137.09700	1.3
139.04019	0.7
139.11267	2.1
143.10719	0.9
153.09143	1.7
155.10820	0.9
159.04523	0.7
161.04527	1.3
167.10716	0.8
179.03430	1.6
184.07310	0.8
201.01865	1.6
217.12328	1.0
299.22174	0.7
309.20630	1.8
325.23529	0.8
327.21725	7.2
343.24768	1.2
345.22781	4.1
368.55887	0.7
387.10696	1.4
405.05930	1.2
405.24814	0.7
433.22452	0.6
434.65622	0.7
489.27094	7.3
490.27032	0.8
505.30234	4.1
507.27994	15.0
508.28513	1.2
523.27802	2.3
549.29095	10.5
550.28857	0.8
567.30133	100.0
568.30511	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	567.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43406	0.7
57.03441	2.4
59.01377	22.4
60.99299	17.6
61.98832	6.6
69.78288	4.0
71.01376	9.0
72.99310	4.9
73.02940	2.8
75.00877	1.9
83.01405	1.7
85.02948	3.1
87.00887	0.8
88.98804	100.0
89.02430	2.0
95.01395	1.0
96.95992	4.9
98.20617	1.2
99.04498	2.0
101.02441	8.6
102.14495	0.7
113.02468	2.6
114.93402	0.9
118.02776	0.7
125.02448	1.0
135.49278	0.8
137.02438	1.0
144.33525	0.7
155.10760	1.2
156.47087	0.7
171.13965	0.9
174.03203	3.5
195.47998	0.7
203.03479	0.7
206.02115	2.4
211.13405	1.4
229.08696	19.8
230.09009	1.4
363.23749	4.5
386.26062	0.9
407.11282	0.9
507.27710	3.5
525.29279	10.8
566.32513	4.1
567.30237	55.6
568.30701	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	565.359
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67262	0.3
54.39887	0.3
55.01871	1.2
57.03447	3.3
58.00604	0.8
59.01379	100.0
60.01718	1.0
61.98833	2.4
67.01881	0.5
69.03470	1.2
71.01384	32.7
71.05021	0.8
72.01700	0.4
72.99315	1.5
73.02945	10.0
75.00871	0.6
77.71284	0.3
81.03432	0.7
83.01386	5.7
84.02143	0.3
85.02952	13.5
86.00131	0.5
87.00877	2.7
87.04523	0.8
89.02444	13.4
95.01390	4.4
96.95977	0.6
97.02929	1.6
97.06589	0.5
98.20671	0.8
99.00889	3.4
99.04524	0.7
101.02444	18.2
111.00883	1.8
112.01720	0.4
113.02453	19.6
115.00348	0.5
119.03497	3.6
123.08173	0.4
124.01649	0.6
125.02447	2.7
125.06092	0.4
125.72692	0.4
128.11108	0.3
129.94478	0.4
130.04210	0.6
131.03502	0.5
133.01430	0.6
135.04539	0.8
143.03522	2.0
143.04463	0.4
143.07184	0.4
155.14423	0.4
157.12306	0.4
159.03047	1.0
159.04497	6.2
161.04558	7.1
169.12311	0.5
174.03241	0.4
177.01907	1.2
178.02647	0.4
179.03473	0.4
179.05602	1.4
187.13367	0.4
201.02045	0.5
201.14972	0.9
203.03528	2.5
229.08707	2.3
241.21732	0.8
295.22568	0.5
297.24387	0.5
299.22232	0.5
304.30621	0.4
313.24042	1.0
315.25394	1.5
327.25391	0.8
341.27051	0.4
343.28506	2.1
359.23199	0.3
359.27914	1.3
361.29565	19.2
362.29840	1.2
373.29633	1.9
403.30771	1.0
431.30457	0.4
457.31427	1.1
475.32950	0.5
487.32782	0.5
503.32364	0.5
505.33807	89.4
506.34109	6.9
523.34851	29.5
524.35529	2.0
565.21143	0.5
565.36664	3.0
566.36145	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.2
59.01377	22.4
61.98825	4.8
71.01380	8.1
71.32763	0.5
71.51183	0.7
72.99297	0.8
73.02962	3.8
78.95902	100.0
83.01379	1.2
85.02955	2.9
87.00862	1.0
88.98818	1.1
89.02422	2.9
95.96178	0.8
96.96960	28.9
99.04563	0.6
101.02432	4.9
103.85978	0.6
113.02419	3.8
119.03470	1.4
125.02477	0.7
137.02435	0.9
138.97984	0.8
143.03462	0.8
161.04495	1.7
172.05287	1.3
177.00195	0.6
179.05638	0.8
201.01889	3.0
257.21164	1.0
316.98602	0.6
359.27692	1.2
360.28366	1.3
361.29196	3.3
403.22537	20.6
404.22699	1.2
447.23538	0.7
505.33435	15.6
522.32794	0.8
523.34735	7.9
547.32446	2.1
564.34900	0.8
565.27618	45.8
565.34717	4.1
566.28442	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	565.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.8
57.03449	3.9
58.00598	0.5
59.01378	100.0
60.01714	0.9
61.98829	6.3
67.52819	0.4
69.03455	1.2
71.01382	24.5
71.50496	0.5
72.99327	1.3
73.02946	9.0
75.00874	0.7
83.01386	4.3
83.05029	0.7
85.02950	13.2
87.00875	1.7
87.04552	0.4
88.98801	2.5
89.02444	6.9
89.03970	0.8
93.03492	0.4
95.01379	3.3
97.02953	0.9
97.06610	0.7
99.00877	3.1
99.04531	1.3
101.02444	16.6
102.02772	0.4
105.03474	1.2
109.02932	0.4
111.00864	0.6
113.02448	15.4
119.03513	2.3
123.04543	0.6
125.02451	2.5
129.01886	0.4
130.04228	0.6
133.01389	0.5
133.02972	3.3
135.04524	2.0
139.04086	0.3
143.03511	2.2
153.05586	0.5
153.09209	0.5
155.10768	0.6
159.03029	1.3
159.04523	5.7
160.04817	2.2
161.04523	7.3
165.05504	0.4
167.03441	0.4
169.12381	0.5
175.04077	0.4
177.01921	36.1
178.02321	1.6
179.03499	1.5
183.13925	0.4
187.13435	0.5
203.03493	2.2
204.03844	1.2
205.03856	1.0
227.07214	0.7
241.21614	0.6
251.19974	0.5
257.08231	0.8
295.23135	0.4
301.10773	0.5
313.23932	0.7
315.25345	2.2
341.26743	0.5
343.28528	2.9
345.26282	0.7
359.28000	1.5
361.14624	0.4
361.29581	15.1
362.29877	0.9
403.30722	1.3
431.29852	0.4
445.09421	0.4
457.31949	0.7
492.75229	0.5
505.33789	85.9
506.34015	7.3
509.75064	0.4
523.34863	17.0
524.35162	1.7
565.19232	4.4
565.31201	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2293
Annotation	Excavatolide C
Peak:m/z	Relative Intensity
52.36322	0.6
55.01861	1.4
55.84311	0.6
57.03445	2.1
58.00592	1.0
59.01382	35.2
61.98819	2.1
67.14125	0.6
69.03446	0.9
69.14149	0.6
70.74796	0.7
71.01013	1.1
71.01389	19.4
71.23180	0.6
72.99306	1.9
73.02957	6.7
76.54649	0.7
81.03497	0.8
81.51289	0.7
83.01385	4.6
83.91374	0.6
85.02953	11.1
87.00873	2.7
89.02445	5.3
93.03477	1.2
95.01381	2.9
97.01350	0.6
97.02964	1.0
99.00887	2.0
101.02439	8.1
109.02945	4.7
113.02457	9.8
119.03490	1.5
121.02161	1.3
121.02964	13.6
122.03753	12.1
123.04511	3.0
124.01649	1.5
125.02448	1.4
135.04529	3.1
136.05283	1.5
137.02446	2.5
137.06117	0.8
143.03470	1.0
146.03781	0.7
147.04535	7.7
149.06078	1.6
150.03238	0.7
154.02716	2.2
161.04646	1.5
161.06065	4.1
162.06813	1.9
165.05563	20.2
173.06017	1.4
175.07639	1.6
176.08348	0.6
177.01993	0.8
177.05597	0.7
178.06316	0.9
179.03496	1.2
179.07126	5.9
191.07123	2.6
193.08711	0.7
207.03027	0.7
297.11185	0.8
298.12201	2.4
311.12930	0.9
313.14380	6.1
315.12347	2.1
316.12991	1.0
328.13153	4.4
329.13937	1.3
334.36340	0.7
343.15536	10.7
344.15842	0.8
346.14191	7.8
347.15012	2.0
361.16580	52.8
362.16953	4.2
393.87286	0.8
475.19711	2.5
505.20822	100.0
506.21060	8.7
521.25928	1.5
523.21838	44.0
524.22198	4.2
565.22479	2.5
565.30566	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	100.0
58.03782	1.1
59.01374	11.9
61.98828	1.6
71.01385	5.1
73.02948	2.1
79.05524	0.9
81.03464	3.1
82.03686	0.5
83.01383	1.0
85.02943	3.6
85.40285	0.5
89.02444	0.6
97.02984	0.5
97.06647	0.8
99.04517	75.3
100.04863	1.2
101.02441	17.2
113.02453	4.6
116.30212	0.4
121.02951	3.0
123.04514	1.5
125.02442	45.3
126.02762	0.9
132.05861	3.5
132.12865	0.5
143.03470	5.8
145.02979	0.7
159.04468	1.1
160.05344	0.8
161.04561	0.9
161.09732	1.1
164.04785	2.5
166.78387	0.7
169.06578	2.2
169.72510	0.5
170.07339	2.9
172.05267	1.7
176.22362	0.6
183.08148	0.7
185.06061	1.9
185.09727	6.9
187.11273	3.5
189.09218	1.8
199.07663	4.3
200.08472	3.6
201.01945	1.3
211.04007	0.6
213.09291	0.7
215.10757	7.7
241.08841	0.6
259.09729	91.9
260.10074	4.6
273.11292	1.8
274.56921	0.5
301.10782	2.3
305.08560	0.6
421.15051	1.0
436.66574	0.7
436.73557	0.5
565.19006	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	96.1
59.01377	18.9
61.98824	15.7
69.35052	8.3
71.01384	7.1
73.02944	7.1
81.03458	4.2
83.01379	1.5
85.02953	4.4
89.02454	1.3
95.01398	1.1
99.04516	83.0
100.04832	1.3
101.02446	20.4
107.61130	0.9
113.00799	1.1
113.02454	5.9
119.03477	1.2
121.02936	1.1
123.04533	2.4
125.02443	58.6
126.20158	0.9
143.03510	7.6
143.39438	1.0
155.08598	1.0
161.04544	2.3
169.06447	1.4
170.07397	1.2
199.07637	36.5
199.09497	1.8
200.08026	2.1
200.47975	1.0
201.09239	1.2
211.04001	23.7
212.04761	8.9
215.10815	1.4
225.05521	1.4
227.07121	74.4
228.07449	2.3
239.10767	1.8
241.08588	1.5
259.09729	100.0
260.10223	5.2
273.11325	1.6
476.40109	1.3
564.34583	1.6
565.14148	1.9
565.34912	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.048
Annotation	UDP-D-galactose
Peak:m/z	Relative Intensity
51.73857	0.4
59.01371	0.4
62.38911	0.4
62.96400	0.8
70.78005	1.0
78.95901	100.0
85.02934	0.6
87.00850	1.3
96.96005	16.4
96.96959	36.5
98.95564	0.5
104.39600	0.4
111.02000	8.9
120.96951	1.9
123.71946	0.4
136.94026	0.5
138.59552	0.4
138.98067	3.0
150.98003	3.1
158.92522	14.9
164.03477	0.7
174.98000	1.2
176.93578	1.4
178.95090	0.4
192.99036	1.8
211.00111	4.1
222.71423	0.4
241.01195	8.7
242.01448	0.5
265.50150	0.4
272.95667	4.2
276.86557	0.8
277.36908	0.5
280.02203	2.0
305.01801	1.3
316.84552	0.7
320.97757	2.8
323.02832	62.5
324.03192	1.9
332.59525	0.4
338.35107	0.5
338.84793	0.8
346.62433	0.4
378.81003	1.6
379.81281	0.4
380.80945	1.9
384.98529	4.9
402.99396	1.4
420.82050	1.9
422.81638	3.4
460.57993	0.4
564.82855	1.2
565.04523	19.8
566.04871	1.0
582.84656	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	9.1
57.03435	11.9
59.01373	9.9
61.98844	4.3
69.42457	32.7
71.01379	8.6
74.58984	4.8
75.00871	6.4
83.01388	33.0
83.51775	4.2
85.02959	10.7
99.00870	6.3
101.02464	6.6
111.00855	7.8
129.01935	100.0
143.03500	16.5
147.02980	31.5
161.04507	5.1
163.45990	4.3
189.68204	4.2
191.01929	6.5
204.58873	4.3
221.72380	4.6
223.04532	11.9
331.55148	4.6
336.58041	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	563.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.7
59.79600	1.5
60.39880	1.9
61.01187	1.8
61.14708	1.6
71.01348	1.6
78.95905	39.0
96.96992	1.9
152.98399	2.8
152.99583	52.1
154.57004	1.6
171.00636	8.6
171.01932	1.8
190.91670	1.7
225.06052	1.8
227.03191	4.2
245.04286	35.0
253.21680	17.1
255.23116	3.9
274.46976	1.8
353.06360	2.8
399.26114	2.1
481.25702	100.0
482.26120	5.9
505.30096	2.8
563.14032	6.4
563.26447	2.2
564.13666	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	72.5
61.98828	20.6
71.01382	22.9
73.02943	24.5
74.03275	2.0
78.51673	1.8
83.01353	1.9
85.02954	9.5
87.00880	5.4
89.02438	6.3
95.01424	2.9
101.02422	13.5
113.02451	4.2
116.25420	2.2
125.02484	2.7
143.03465	2.2
147.04480	2.8
149.06250	2.1
173.02359	2.8
179.03468	2.4
190.33124	2.1
191.05768	2.2
201.01929	47.2
202.02345	1.9
268.82706	1.9
297.07709	8.3
315.25443	14.2
327.21918	5.8
341.26987	6.3
353.06509	11.1
359.27966	16.9
375.15591	8.3
383.07550	9.8
459.29657	5.8
477.30515	16.2
503.32190	10.3
519.31763	56.6
520.31677	3.9
521.33264	16.1
563.14276	28.0
563.34180	100.0
564.14160	3.4
564.34790	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	563.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.3
58.00558	0.4
59.01378	22.2
61.98827	2.5
69.03457	1.0
69.72055	2.1
69.72456	0.6
71.01379	11.8
72.99291	1.3
73.02934	3.9
75.92694	0.3
83.01382	1.8
85.02950	4.7
87.00878	2.3
89.02436	3.0
93.03417	0.5
95.01376	1.7
99.00851	1.2
101.02426	5.5
111.87659	0.4
112.01687	0.7
113.02438	3.7
117.25719	0.4
119.03493	0.7
124.01686	0.5
125.02428	1.6
135.04482	0.6
138.68991	0.4
147.04523	0.4
153.51282	0.4
191.05554	1.0
202.01999	0.5
297.07758	0.4
311.25714	0.7
313.23807	4.3
327.21887	0.7
341.26962	6.7
353.06693	0.7
357.26294	0.8
359.27985	23.7
360.28256	1.4
383.07932	0.7
401.29086	1.1
443.10629	0.5
473.43188	0.5
503.32242	17.5
504.32697	1.0
521.25085	0.8
521.33252	26.4
522.33435	2.0
563.16010	2.2
563.34332	100.0
564.34607	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	563.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90068	0.3
55.01886	0.8
57.03462	1.6
58.00591	0.6
59.01379	26.7
69.03444	0.6
70.26619	1.2
70.26978	0.4
71.01384	10.2
72.99297	0.6
73.02944	3.6
74.09992	0.3
83.01393	1.6
85.02943	3.8
87.00882	2.9
88.68616	0.4
89.02437	3.9
95.01382	0.7
97.02927	0.5
99.00889	1.1
99.04519	0.7
101.02434	6.1
113.02449	3.6
119.03516	1.4
119.14755	0.3
125.02450	1.3
127.11304	0.5
129.01865	0.4
133.13211	0.4
143.03508	0.4
269.08252	0.6
295.22772	1.0
311.25922	1.1
313.23846	3.8
341.26923	15.4
342.27155	1.0
357.26456	0.9
359.28006	30.5
360.28323	2.5
371.28046	0.9
373.29636	1.0
401.29086	1.0
503.32227	11.7
504.32858	1.3
521.33289	29.0
522.33331	2.5
563.34332	100.0
564.34711	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	563.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35958	0.5
57.03428	1.6
59.01378	10.5
61.98829	1.4
62.40528	0.7
69.54442	3.3
69.54836	1.3
70.35647	0.7
71.01373	2.6
73.02939	1.6
85.02933	1.1
88.98782	1.0
89.02425	1.4
94.29820	0.6
99.04524	1.1
101.02425	1.8
113.02425	1.3
115.00346	0.7
121.02960	5.8
122.03769	0.6
123.00895	1.0
123.04498	0.7
125.02438	0.9
134.68172	0.7
135.04529	1.7
136.05313	0.9
139.32346	0.7
145.02933	1.1
147.04495	2.4
149.02373	1.2
150.03267	3.4
158.03728	1.7
159.04509	7.1
160.05290	18.2
161.06076	6.1
163.04062	3.3
164.04825	4.5
173.06030	2.5
175.07643	18.1
176.08054	1.0
177.05562	5.1
178.06317	5.9
192.07904	0.8
193.08682	2.0
201.01942	0.6
223.07776	0.8
240.04338	1.1
253.08743	0.9
266.05975	0.7
269.08157	9.8
281.08255	3.1
283.09726	3.4
285.04108	0.7
293.08395	0.6
295.09799	0.8
297.07672	0.7
299.09277	7.6
311.09225	7.4
314.11584	15.7
325.10764	0.9
326.11618	4.7
329.13928	100.0
330.14261	6.4
341.10220	1.0
341.13910	13.7
342.14096	0.9
353.06570	2.2
353.10388	1.3
356.12497	1.5
359.14938	1.4
368.12582	1.3
371.15030	5.4
383.07596	2.1
383.14883	2.8
397.09589	0.6
446.65555	0.8
447.09171	0.8
493.83023	0.7
503.28806	1.2
557.97418	0.7
563.14136	6.3
563.27972	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	6.4
57.60932	1.6
59.01382	100.0
61.98827	5.8
66.33571	1.6
69.03472	2.3
71.01386	34.8
72.99316	2.1
73.02953	14.3
83.01384	7.6
85.02946	17.3
86.00163	1.8
87.00875	4.5
88.98811	2.1
89.02448	8.1
90.26828	1.8
92.78658	1.7
95.01379	2.9
96.96008	4.9
98.20750	3.2
99.00874	5.3
101.02450	22.7
102.86568	1.9
113.02454	12.2
119.03455	3.1
121.02937	7.3
125.02457	2.6
135.04546	3.5
136.01662	10.2
137.01970	2.9
145.02866	2.5
146.03738	4.1
151.03986	8.6
152.04280	2.6
153.04500	3.3
159.04543	5.0
161.04555	3.9
164.04854	2.8
172.05084	1.7
179.07112	4.9
239.07124	1.9
245.85585	1.9
253.26489	1.7
255.06660	2.1
265.08420	2.2
267.06622	3.2
268.07336	4.1
269.08127	7.5
271.02451	4.3
279.06931	2.4
280.07419	2.5
281.08139	15.7
282.08853	8.1
283.09692	12.1
293.08096	4.1
294.09131	2.0
295.06253	1.7
295.09732	7.2
296.10367	2.7
297.07672	2.1
297.11099	1.9
299.09219	5.2
300.02844	4.8
302.07819	1.7
311.09338	10.3
311.12332	2.0
314.08093	2.4
314.11563	6.9
315.04871	2.2
315.12372	5.3
325.10861	3.6
326.11621	14.3
327.12357	8.0
329.13980	15.0
340.09424	2.6
341.10156	2.6
341.13943	15.7
343.11893	4.8
353.06540	5.5
355.11856	8.2
357.13464	3.7
358.13809	4.4
359.14093	6.8
367.13669	2.7
455.13266	4.9
458.15619	10.7
463.08658	6.7
470.15988	8.5
473.18445	50.8
474.18356	5.6
476.16791	8.3
485.11304	3.3
485.18237	61.3
486.18152	5.8
488.16776	7.4
491.19199	41.9
492.19458	2.2
503.19305	81.7
504.19461	5.2
515.16174	2.0
521.29675	2.2
533.20288	55.7
534.20605	5.7
545.20313	36.7
546.20715	3.7
563.13849	13.2
563.30115	7.5
572.38452	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	1.4
59.01376	19.9
60.99309	16.6
61.98842	1.9
71.01382	5.6
72.39336	1.1
73.02936	2.3
74.45713	1.0
75.53013	1.1
83.36977	1.1
85.02953	2.8
87.00874	1.4
88.98804	100.0
89.02454	2.4
99.04533	1.4
101.02451	4.3
105.60517	1.2
113.02452	2.5
115.00375	2.7
117.03470	1.3
125.02446	1.8
127.28416	1.0
133.01408	1.7
135.04521	11.8
153.05582	1.5
157.29674	1.0
159.04559	1.8
163.04012	1.3
181.93811	1.1
203.03551	1.9
295.06094	1.3
297.07761	3.0
312.71637	1.2
323.05542	1.5
353.06693	6.5
365.06891	1.7
383.07703	3.6
443.09793	1.9
473.11237	1.5
503.19006	3.3
519.24536	1.8
521.20117	2.3
563.13947	17.7
563.26929	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	563.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.3
57.03437	1.2
59.01378	100.0
61.98829	2.7
69.03463	1.6
71.01379	53.2
72.99288	2.7
73.02943	54.2
75.00837	1.1
78.34900	1.1
83.01385	15.8
85.02940	12.6
87.00887	1.4
89.02441	18.4
95.01384	4.3
98.19955	3.7
99.00880	2.2
101.02443	55.1
108.02185	1.6
109.02973	3.4
111.85853	1.3
113.01639	1.5
113.02444	28.9
119.03488	8.1
121.02956	3.3
122.03739	2.5
123.04548	3.5
125.02408	1.9
128.29283	1.3
131.03476	4.3
140.17856	1.2
143.03488	7.5
145.16771	1.2
149.04604	6.2
159.04477	3.4
160.05283	9.0
161.04568	15.3
161.05901	3.0
163.00372	1.3
172.05258	5.3
173.06047	4.8
175.07613	4.4
179.05547	3.1
186.42300	1.3
187.07567	2.2
189.05548	10.4
190.06361	10.8
205.08748	9.8
226.90524	1.4
281.08139	2.9
296.10577	7.1
311.12836	9.4
329.13980	3.0
341.09720	2.9
341.13901	58.3
342.14160	2.7
503.19296	18.0
521.19977	3.5
563.13251	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.5
57.03455	1.5
59.01379	15.5
61.98831	1.8
65.00304	0.6
69.03442	0.7
69.05835	0.2
70.26328	1.1
71.01379	5.8
71.05009	0.3
71.83356	0.3
73.02944	11.0
75.87018	0.2
75.87653	0.3
78.01064	0.3
79.05505	0.7
81.03445	0.4
83.01382	1.1
83.04990	0.4
85.02943	2.8
87.00896	0.7
87.04510	3.5
89.02433	1.6
95.01371	0.8
95.05038	1.5
97.02962	1.6
97.06586	11.3
99.00864	0.9
99.04484	0.4
101.02438	4.2
101.64597	0.3
102.04731	1.1
103.05536	3.8
107.80382	0.3
109.06595	0.6
110.03670	0.3
111.00812	0.3
111.04527	1.9
113.02459	3.6
113.46616	0.3
115.04018	0.8
115.05531	0.3
119.03495	1.1
121.06584	4.3
123.04527	7.1
125.02446	0.6
125.06048	0.4
130.04239	18.0
131.03540	0.3
131.05077	1.7
139.07622	2.0
141.05579	9.8
143.03545	0.4
147.04530	0.3
149.06076	7.5
150.06483	0.3
151.07642	0.4
153.05576	0.8
153.09218	1.8
155.07149	0.7
157.05023	0.4
159.04507	100.0
160.04843	3.5
161.04558	1.0
165.05554	1.9
167.10884	0.3
171.10275	0.6
175.06131	0.3
177.09198	0.8
179.05620	0.6
183.06615	2.6
195.10214	0.3
203.03491	90.2
204.03833	3.0
215.09224	7.1
215.11116	0.5
221.08246	0.3
239.09244	0.6
255.06535	0.3
255.91589	0.3
257.10352	1.1
281.10300	0.7
285.97919	0.3
299.11365	1.7
303.31659	0.3
325.23654	0.3
341.27005	0.7
353.06696	0.5
359.13446	12.6
359.24118	0.4
359.28107	2.0
360.13712	0.9
489.13925	0.4
503.32257	11.8
521.33350	4.4
563.17786	15.0
563.34454	3.6
564.17749	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	563.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.7
59.01377	5.6
60.01699	0.2
61.98831	2.3
69.03448	0.5
71.01369	1.8
73.02945	4.5
83.01350	0.3
83.05016	0.3
85.02962	0.9
87.04497	0.6
89.02453	0.6
95.01370	0.4
95.05024	0.5
97.02969	0.6
97.06586	4.0
99.00829	0.2
99.04525	0.5
101.02450	1.2
102.04737	0.5
103.05537	2.3
107.57014	0.2
109.06550	0.3
111.04521	0.6
113.02461	1.3
115.04008	0.3
119.03476	0.4
121.06573	0.9
123.04533	1.9
125.02408	0.3
130.04237	10.3
131.05077	1.3
133.02957	0.3
139.07635	0.6
141.05574	4.2
149.06078	5.2
153.09152	1.0
155.07162	0.3
158.49718	0.2
159.04504	100.0
160.04848	2.4
161.04550	0.4
165.05571	0.7
167.45042	0.2
171.10289	0.3
177.01884	2.2
179.05740	0.2
183.06578	0.8
197.08179	0.4
203.03488	43.4
204.03836	1.4
206.26280	0.2
215.09245	3.5
257.10309	1.4
299.11435	0.3
317.12363	0.5
353.06750	0.3
359.13391	4.3
377.14435	0.3
443.27090	0.3
489.13940	0.9
503.32303	1.1
521.33325	0.6
563.17926	5.6
563.31104	0.8
564.17804	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01025	0.4
54.61363	0.4
57.03447	0.9
59.01378	13.4
61.98836	1.2
71.01381	3.6
71.05029	0.5
72.99286	0.4
73.02943	5.1
80.81661	0.4
83.01365	0.7
85.02962	2.3
85.62019	0.4
89.02422	1.7
95.01363	0.4
95.04991	0.6
97.06599	4.8
99.00935	0.8
99.04533	0.8
101.02461	2.8
101.85273	0.4
103.05546	2.1
105.71651	0.4
111.04518	0.7
113.02459	2.4
121.06615	0.6
123.04556	1.9
130.04245	9.6
131.05002	1.1
139.07706	0.5
141.05557	4.5
143.03493	0.5
143.25923	0.4
149.06059	4.3
153.09232	0.9
159.04507	100.0
160.04843	2.8
161.04567	1.3
165.05579	0.5
177.01942	1.6
179.05650	0.5
183.06633	0.9
191.05688	0.4
201.14978	1.0
203.03493	43.1
204.03841	1.7
215.09245	4.4
257.10324	0.8
283.90860	0.4
299.11365	0.4
317.12439	0.7
353.06726	0.6
359.13391	5.0
359.28098	0.8
386.78131	0.4
489.14084	0.5
503.32190	7.5
521.33240	3.0
563.17957	4.5
563.30902	0.6
564.17725	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
70.08361	1.9
71.01344	0.5
83.01396	0.6
91.05543	0.6
93.03483	0.9
98.27684	0.5
105.36758	0.5
117.03453	3.5
117.65430	0.5
119.05072	0.8
121.02963	0.7
127.77274	0.6
131.04967	0.6
135.04514	2.3
147.04533	0.7
159.04494	0.6
161.02441	2.3
163.03964	1.6
164.25914	0.7
175.03990	1.7
177.01917	0.6
177.05571	1.8
179.03564	0.8
189.01869	0.7
191.03545	1.0
203.03517	0.6
205.04979	0.7
207.88318	0.5
217.05116	0.7
221.04552	0.5
224.08310	0.7
227.81984	0.6
233.04494	0.8
251.07074	0.6
252.03174	0.6
267.06668	0.6
268.07446	1.6
276.42023	0.6
282.05304	1.9
283.06082	2.9
295.06125	4.5
296.06900	2.6
297.07663	16.8
307.06073	1.5
309.07773	2.0
311.05472	3.0
323.05725	3.5
324.06323	0.7
325.07132	8.0
328.05911	2.0
335.05588	1.1
337.07178	2.3
353.06647	27.4
354.06995	1.2
355.08228	1.2
365.06531	4.6
383.07693	18.1
384.08057	1.2
395.07736	2.8
413.08759	2.2
425.08734	0.9
443.09802	11.2
444.10107	0.9
455.09683	0.7
473.10809	6.7
474.11343	0.7
503.11758	0.6
545.12836	1.3
563.14032	100.0
564.14240	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	563.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69520	0.6
51.75580	0.6
57.03446	0.8
59.01379	3.3
69.18280	6.2
71.01368	1.5
73.02931	1.0
81.26965	0.6
84.28821	0.6
93.03459	1.4
98.20707	0.9
115.00439	1.0
117.03463	5.8
119.05044	1.1
121.02964	0.8
135.04527	3.6
137.02377	0.7
147.04465	1.0
149.02419	1.3
159.04497	1.7
161.02437	2.5
163.03885	1.7
175.02498	0.9
175.03996	1.7
177.05516	1.9
189.05653	0.9
191.03493	1.2
203.03326	1.2
204.34703	0.7
221.11844	0.8
223.10773	0.7
233.04581	1.0
245.04701	0.7
267.06488	1.0
268.07333	0.9
281.04510	1.5
282.05292	2.1
283.06076	4.0
295.06030	5.4
296.06683	2.6
297.04456	1.2
297.07657	17.2
298.08051	1.1
307.06064	2.8
309.07712	2.6
311.05554	2.8
323.05518	4.1
324.06250	0.9
325.07181	9.1
328.05688	3.7
335.05609	1.5
336.89902	0.7
337.06873	3.3
341.06454	0.9
351.04980	0.9
353.06659	36.5
354.07053	2.4
355.08194	1.7
356.05457	1.4
365.06686	6.0
383.07687	21.4
384.08087	1.0
395.07736	2.3
397.08957	0.7
413.08823	3.2
425.08878	1.3
443.09790	7.6
473.10742	7.7
474.11163	0.9
503.12021	1.3
545.12695	0.9
554.91168	0.8
563.14014	100.0
564.14410	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	562.3152
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57836	0.8
59.01375	2.0
61.98838	2.4
70.54025	1.0
70.54372	2.9
78.95905	43.9
85.06606	1.3
88.24683	0.9
120.63877	0.9
121.27780	1.0
122.00130	1.2
140.01189	9.0
152.99602	4.7
165.12836	1.3
171.00639	2.7
181.12231	1.9
182.91962	1.0
189.48676	0.9
196.03786	13.2
199.13396	22.2
214.04843	3.2
279.19632	9.7
293.35873	1.1
347.25922	7.2
353.06824	1.0
365.26956	100.0
366.27332	4.9
562.31512	65.2
563.13989	3.1
563.31433	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	563.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38630	0.4
59.01367	1.2
60.97540	0.5
61.98822	3.8
70.72615	1.2
79.95733	0.5
80.96523	3.6
85.02934	0.6
121.02955	100.0
122.03298	2.0
125.35484	0.5
135.04526	0.6
151.04031	1.0
179.03491	82.7
180.03836	2.9
180.05536	0.5
181.06590	2.2
197.06120	1.2
223.03993	1.1
225.05565	1.7
231.93280	0.6
242.44189	0.5
255.06590	1.3
265.04996	1.4
277.50180	0.6
313.07111	1.8
353.06778	0.9
365.00241	0.5
365.68344	0.5
371.09207	0.7
380.16583	0.5
383.07761	1.8
386.06894	0.5
399.08820	0.9
431.11157	0.8
475.10162	4.4
476.11093	0.6
563.13135	5.2
563.24805	4.2
563.34613	0.7
564.13477	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.5
57.03449	19.2
58.00589	1.1
58.03772	0.5
59.01379	100.0
60.01715	1.1
61.98822	2.3
63.27956	0.5
69.03461	4.8
71.01381	32.9
71.50591	0.8
72.99305	1.1
73.02947	18.9
75.00887	0.6
79.01900	1.3
81.03470	1.1
83.01393	5.4
83.05014	0.6
85.02950	8.7
87.00877	2.4
87.04533	1.2
87.71230	0.4
88.98830	0.5
89.02444	18.2
93.03516	0.5
95.01358	3.0
96.96024	0.7
97.02946	5.0
97.06585	0.5
99.00877	2.1
99.04521	17.7
100.04856	0.8
101.02439	27.2
108.38155	0.4
109.02990	0.8
111.00925	0.8
113.02448	22.9
113.98382	0.5
115.04005	0.5
119.03500	8.6
123.04607	0.6
123.08221	0.5
125.02444	9.4
125.03326	0.7
126.09824	0.4
131.03525	2.4
133.02959	1.1
134.03801	1.0
135.04520	0.7
137.02461	1.0
141.01939	4.3
143.03485	3.9
143.89944	0.6
149.04552	2.6
151.03996	0.7
159.03033	0.6
161.02521	0.6
161.04559	9.2
173.04655	0.7
177.01924	4.7
178.02840	0.5
179.05609	6.7
185.00909	4.4
185.11932	0.7
191.05621	0.9
193.05138	1.2
203.02026	0.5
221.06760	0.6
247.85071	0.5
268.07559	0.6
283.09799	1.0
292.99835	0.4
309.11517	0.4
329.23190	0.8
339.25439	1.0
357.09943	1.7
357.26486	1.7
371.20688	0.6
373.26141	0.7
375.27484	12.8
376.28143	0.6
401.21942	0.6
419.22888	0.6
444.80737	0.4
483.30246	1.1
501.30728	14.2
502.31094	1.2
519.31750	5.7
561.16602	0.9
561.19678	0.6
561.29150	11.4
562.30054	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.9
59.01386	1.0
63.72409	0.4
69.42538	0.8
69.42945	2.3
71.01369	0.5
77.93952	0.4
84.88326	0.4
97.06566	0.6
98.19991	0.7
111.08172	1.2
114.99657	0.4
124.16961	0.4
142.82835	0.5
143.88409	0.4
165.12849	18.9
183.13887	100.0
184.14214	3.0
209.11809	7.8
227.12865	7.5
277.21710	72.2
278.22040	3.7
283.15497	1.8
301.16522	7.1
321.47049	0.4
382.16492	0.4
466.60547	0.4
536.83258	0.5
561.37933	9.5
562.38232	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84892	0.6
61.98827	100.0
71.50018	0.9
149.85928	0.7
169.77934	0.6
338.18631	0.6
432.42313	0.7
458.97357	0.7
563.14166	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	561.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.0
57.03429	1.2
58.00576	0.3
59.01378	28.5
60.01730	0.4
61.98816	1.2
61.99096	0.3
69.03457	0.9
70.72603	0.7
71.01380	10.8
72.99287	0.8
73.02943	4.4
76.27657	0.3
83.01396	1.5
85.02944	4.3
86.39351	0.3
87.00874	3.8
89.02439	3.8
95.01390	0.7
97.02946	0.6
99.00848	0.9
101.02437	6.8
111.39286	0.3
113.02449	3.5
119.03489	1.2
124.01671	0.7
125.02404	1.1
125.09724	0.6
161.04576	0.3
171.10233	0.7
171.58763	0.3
185.11856	0.4
188.42471	0.3
205.02733	0.3
214.90799	0.3
241.22751	0.4
291.23273	0.3
297.24387	0.5
300.69553	0.3
309.24344	4.6
310.24890	0.5
311.25665	0.5
321.24277	1.4
325.23743	0.8
327.25388	7.8
328.25717	0.5
339.25366	13.9
340.25653	0.8
355.24765	0.6
357.26425	26.7
358.26685	1.4
399.27310	0.8
489.30679	1.3
501.30649	14.7
502.31189	1.0
519.31677	24.6
520.32153	2.3
561.32739	100.0
562.33008	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	561.327
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25304	0.2
55.01869	0.5
57.03444	1.3
58.00566	0.5
59.01379	24.8
61.98828	0.6
68.99805	0.2
69.03445	1.0
69.24406	2.3
71.01382	12.7
71.05025	0.4
72.45249	0.2
72.48398	0.2
72.99301	1.0
73.02950	4.2
75.00874	0.3
78.01651	0.2
81.03438	0.3
83.01389	1.9
85.02950	5.1
87.00880	2.4
89.02451	3.2
95.01369	0.9
97.02941	0.7
97.06541	0.3
97.14024	0.2
99.00905	1.1
101.02443	6.6
111.00864	0.6
112.01675	0.3
113.02459	3.5
119.03506	1.2
120.33229	0.2
120.96297	0.3
124.01633	0.3
125.02412	1.0
125.09700	0.3
127.11224	0.3
143.03471	0.5
169.12251	0.2
171.10208	0.3
185.11870	0.4
199.13304	0.6
201.01866	0.4
267.23114	0.3
297.24365	0.4
309.24438	1.6
311.22232	1.5
311.25595	0.4
321.24387	0.7
323.25992	0.5
325.23715	0.4
327.25397	4.6
338.24100	0.2
338.89780	0.3
339.25363	9.5
340.25781	0.6
341.26953	1.6
355.24588	0.4
357.26447	23.3
358.26761	1.4
399.27460	0.6
489.30560	0.3
501.30679	15.8
502.31027	0.9
519.31702	21.7
520.32019	1.9
543.31830	0.4
561.32745	100.0
562.33136	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	561.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40599	0.2
52.18773	0.2
55.01862	0.6
57.03428	0.8
58.00580	0.4
59.01379	18.8
61.98820	0.5
62.31420	0.2
69.03445	0.4
69.24208	1.4
71.01379	7.6
71.05018	0.4
72.99285	0.8
72.99640	0.2
73.02945	3.2
75.00896	0.3
76.34349	0.2
83.01377	1.4
85.02948	3.1
87.00880	2.0
87.04494	0.4
89.02442	1.3
95.01382	0.6
97.02937	0.5
98.19859	0.4
99.00857	0.7
101.02447	3.5
112.01650	0.4
113.02454	1.7
119.03520	0.3
124.01650	0.5
125.02410	0.5
125.09682	0.4
127.11300	0.2
135.25354	0.2
141.12857	0.3
142.02711	0.3
143.03499	0.3
156.08746	0.2
171.10240	0.6
185.11816	1.5
297.24301	0.6
309.24316	1.4
311.25891	0.8
321.24304	0.7
323.25955	1.4
325.23914	0.9
327.25391	10.8
328.25735	0.6
337.23776	0.4
339.25378	10.5
340.25720	0.4
341.26944	8.0
342.27115	0.4
353.26834	0.3
355.24756	0.5
357.26443	24.5
358.26733	1.7
369.26337	0.3
399.27692	0.3
471.29547	0.3
489.30679	0.9
492.86206	0.2
501.30704	6.9
502.30484	0.4
519.31732	13.6
520.32214	1.0
543.31488	0.4
561.32745	100.0
562.33118	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	561.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89252	1.0
55.01881	1.4
57.03451	33.7
58.00610	1.2
59.01382	100.0
60.01723	1.1
60.16232	1.2
61.98834	7.6
62.60157	1.0
66.32751	0.9
69.03461	24.7
70.64699	2.7
71.01019	1.6
71.01387	31.7
72.99309	1.9
73.02950	13.6
79.01898	5.6
79.55108	0.9
81.03448	1.2
83.01366	4.2
85.02946	11.4
87.00848	2.4
87.04514	1.8
89.01949	1.2
89.02454	18.9
93.03458	2.0
95.01389	4.5
96.96012	1.4
97.02957	22.8
99.00906	7.1
99.04523	31.7
101.02446	24.3
103.92516	0.9
107.26698	0.9
113.02457	19.5
119.03509	8.3
121.02933	2.1
123.00876	1.6
123.08102	1.5
125.02456	12.0
131.03496	1.5
133.02896	1.3
134.03760	1.0
136.01671	22.6
141.01945	20.2
143.03468	4.0
149.04509	1.5
151.04015	31.0
152.04411	0.9
157.12331	1.2
159.04507	2.3
161.04547	8.8
169.12444	1.2
177.01895	2.8
179.05580	4.1
185.00931	26.3
185.11818	2.6
203.01907	2.8
203.17487	0.9
211.88560	1.1
214.89836	1.1
215.12802	1.5
221.06699	1.0
244.57089	0.9
244.71019	1.0
255.03052	1.1
267.06357	0.9
278.12326	0.9
327.12036	1.2
329.23257	1.7
334.98761	2.4
335.99258	1.2
339.25375	2.2
357.13419	26.5
357.26364	4.8
358.13742	2.3
373.26016	2.3
375.27518	61.8
376.27866	3.0
414.02338	1.0
417.24521	1.3
483.29657	2.8
501.30838	16.5
519.31720	5.2
525.62177	1.0
535.10583	1.1
561.06689	4.5
561.15417	1.9
561.29077	46.3
562.29633	3.7
564.53094	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63757	1.0
55.01860	2.4
56.51636	0.8
57.03444	37.9
59.01375	100.0
60.01701	1.8
60.05214	1.1
61.98831	8.3
63.46138	1.0
67.01868	0.9
68.19352	1.0
69.03450	23.0
69.30210	8.7
69.30545	0.8
71.01376	28.3
72.99304	1.2
73.02949	12.1
79.01875	4.7
83.01386	3.6
83.05005	1.8
85.02950	10.6
87.00865	2.2
87.04513	2.1
88.98792	1.1
89.02434	20.6
95.01371	4.4
96.96020	2.5
97.02943	22.9
97.06586	1.0
99.00877	8.6
99.04514	33.2
101.02440	24.7
113.01718	1.6
113.02444	17.2
115.00365	1.1
119.03473	7.0
121.02953	1.7
123.00869	1.8
125.02439	13.7
130.81660	0.8
136.01651	24.0
137.02364	0.9
139.11388	1.0
141.01935	20.2
142.02251	1.1
143.03468	3.6
145.08652	1.5
149.04558	2.0
149.06035	1.2
151.03999	33.5
157.12312	1.3
161.04538	7.8
169.12450	1.1
173.86540	1.0
177.01909	2.1
177.05408	1.1
179.05553	2.8
184.16687	1.0
185.00890	28.2
185.11823	2.3
191.05539	1.1
203.01904	2.7
203.03607	1.5
215.12943	1.4
255.03168	1.1
294.31558	1.0
329.23306	2.8
334.98618	3.0
339.25439	1.5
342.11057	2.8
357.13376	27.6
357.26431	3.5
358.13681	1.8
373.26001	1.1
375.27472	58.1
376.27890	3.3
399.23599	1.5
417.24722	1.3
454.34155	1.1
501.30777	12.7
502.30688	1.2
519.31726	6.9
531.28754	1.0
561.07001	3.7
561.29089	48.3
562.29565	3.2
589.86591	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.7
57.03453	1.9
59.01378	28.7
61.98826	3.2
67.01897	0.8
69.03452	96.4
70.03786	0.9
70.82314	1.4
71.01376	9.4
72.99303	2.2
73.02939	4.4
75.28255	0.6
79.01886	5.1
83.01378	1.6
85.02953	4.1
87.00887	1.0
89.02437	4.9
95.01409	3.0
96.96017	0.7
97.02946	19.0
99.00875	26.9
99.04529	1.9
100.00225	0.5
101.02431	5.1
113.02439	6.4
114.40289	0.6
116.92885	1.0
119.03471	2.6
123.00875	1.3
125.02422	1.3
132.33026	0.6
141.01927	12.5
143.03540	0.7
159.04530	0.7
161.04555	2.5
179.05602	1.8
185.00896	100.0
185.11877	0.6
186.01221	1.6
270.53625	0.6
280.28610	0.5
306.87897	0.6
310.40814	0.6
333.71625	0.6
338.20465	0.7
357.26450	1.2
365.98383	0.6
375.27457	11.0
376.27762	0.8
416.35187	0.6
464.61697	0.7
501.30585	5.9
519.31311	3.4
561.28961	19.7
562.29144	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	561.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92248	0.5
55.01876	5.6
55.36607	0.5
57.03449	1.8
59.01377	34.2
61.98830	1.0
67.01895	0.9
69.03454	100.0
70.03788	1.3
70.50996	0.5
70.82227	1.5
71.01382	13.2
72.99306	3.2
73.02946	4.4
79.01872	4.6
81.03417	0.5
83.01379	1.5
85.02951	5.3
87.00860	0.6
89.02440	6.3
95.01396	4.2
96.96007	0.7
97.02949	18.3
99.00877	27.3
99.04518	0.6
101.02448	5.3
113.02438	6.5
114.81754	0.6
118.91794	0.6
119.03494	2.5
119.04956	0.7
123.00871	1.7
123.04510	1.6
125.02444	1.4
141.01944	10.0
143.03491	1.0
159.03091	0.8
159.04404	0.7
161.04512	2.3
167.03510	3.3
179.05609	1.6
185.00905	94.6
186.01231	2.3
193.05048	0.7
203.03503	1.0
357.13269	2.3
357.26303	2.2
371.10214	0.6
375.27463	14.9
376.27789	1.0
501.30624	8.9
519.31854	4.1
561.28888	18.3
562.29120	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	561.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.0
57.03447	35.8
58.00599	0.9
59.01377	100.0
60.01722	0.9
61.98825	3.2
62.54303	0.5
69.03455	5.8
71.01379	22.3
72.99326	1.1
73.02949	12.2
73.03358	0.7
73.31426	0.6
75.00888	0.5
79.01894	1.6
81.03465	1.7
82.03735	0.5
83.01389	4.3
83.04985	0.6
85.02946	8.4
87.00882	1.8
87.04515	1.0
88.98800	0.7
89.02443	13.7
89.03006	0.7
93.03477	0.7
95.01385	3.2
96.96001	1.3
97.02944	7.3
99.00899	1.6
99.04517	35.1
100.04873	0.9
101.02440	22.2
101.03114	1.2
104.03708	0.5
105.03481	0.5
113.02448	14.5
119.03494	5.0
123.04543	0.6
123.08170	0.7
125.02438	15.0
131.03502	1.7
133.02971	1.5
134.03795	0.9
135.04547	1.4
137.02463	1.2
141.01964	4.3
143.03493	3.1
149.04564	1.5
159.03148	0.6
159.04495	1.0
161.04559	7.8
161.05971	0.9
166.90735	0.5
173.04547	0.7
177.01924	8.3
178.02739	0.8
179.03477	0.6
179.05582	2.6
185.00896	4.4
191.05637	0.9
193.05040	1.1
203.07217	0.6
207.13971	0.5
283.09784	0.9
329.23251	0.8
339.25546	1.1
357.09671	0.9
357.13675	0.8
357.26358	2.6
375.27481	13.5
375.31863	1.0
389.22083	0.8
401.21973	0.8
419.22928	0.6
483.29462	0.8
501.30710	12.8
502.31244	0.8
519.31818	5.2
561.16052	1.6
561.28894	11.2
562.29626	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	561.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	9.8
59.01379	5.5
71.01378	3.1
71.49643	1.3
78.38750	0.9
81.03445	4.3
83.01390	5.2
85.02919	1.7
93.03426	4.3
95.01392	1.0
95.05014	3.4
97.02954	9.1
97.93019	0.9
99.04529	1.0
107.05037	2.0
108.02156	2.5
109.02944	26.9
111.41646	1.0
113.02454	2.1
120.02158	1.7
121.02979	5.2
122.03689	2.7
123.04520	20.5
125.02446	68.8
133.02939	6.1
134.03752	1.0
135.04538	6.1
137.02441	20.0
138.03192	1.4
139.03981	4.1
145.02902	0.9
147.04503	1.9
149.02463	7.8
150.03174	2.0
151.02901	1.0
151.04001	11.4
159.04460	3.8
160.05293	1.5
161.02451	6.4
161.06056	6.0
162.03210	2.4
163.00424	5.4
163.03972	3.5
164.01152	18.5
164.99857	1.0
165.01920	10.5
166.02637	1.1
167.03481	2.2
175.04010	8.0
175.07529	2.0
176.01123	1.3
177.01912	11.3
177.05559	1.6
178.02516	1.3
179.03502	6.7
183.04399	0.9
185.05992	2.9
187.03996	5.9
187.07605	2.3
188.04695	4.2
189.01923	1.6
189.05540	1.9
193.04843	1.0
199.03967	0.9
199.07576	1.1
202.06279	2.5
203.03517	2.0
203.07126	14.6
205.01396	11.8
205.05022	9.3
205.08607	0.9
211.03961	1.6
212.04776	1.6
213.05550	1.6
215.03496	2.1
217.05144	1.0
219.13747	1.1
221.08176	2.5
227.03621	1.5
227.07095	3.3
228.04384	1.1
229.05115	2.3
229.08687	1.8
231.02859	1.4
231.06395	1.7
243.02875	1.4
245.08141	18.5
247.06158	1.0
253.05115	2.2
255.02916	3.7
255.06683	1.0
256.03680	3.5
257.04599	1.4
269.04584	1.8
269.08176	1.0
271.06104	12.8
273.07675	16.4
281.04379	1.5
283.02386	2.9
283.05951	2.6
285.04129	2.1
289.07169	100.0
290.07498	5.2
312.02753	1.7
313.03555	1.7
313.07227	1.1
328.05768	4.3
329.06726	9.4
339.08603	1.8
351.91678	1.1
381.09772	1.7
390.81674	0.9
407.07712	23.1
408.08051	1.9
409.09409	2.0
417.09686	1.4
425.08527	2.2
435.10815	27.1
436.10913	2.2
443.19446	2.4
517.09955	1.4
525.11542	1.1
543.12573	4.2
561.14050	8.3
562.13910	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	561.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96273	0.7
55.66906	0.6
57.03458	5.7
59.01373	2.2
69.03454	1.1
69.40180	5.5
71.01384	1.4
81.03476	3.2
83.01397	4.4
85.02963	0.9
86.02371	0.8
93.03462	3.0
95.01373	1.4
95.05009	2.4
97.02964	5.2
97.54293	0.6
100.54074	0.7
108.02190	1.7
109.02234	1.4
109.02959	22.6
121.02964	2.8
122.03770	1.1
123.04526	16.4
124.01694	0.9
124.04807	0.9
125.02450	40.4
125.64989	0.6
126.02778	1.0
133.01443	1.0
133.02982	3.8
135.04538	3.5
137.02448	18.4
138.03198	1.0
139.04025	4.5
145.02979	1.1
146.03706	0.9
147.04567	1.1
149.02460	7.2
149.06062	0.9
150.03226	1.3
151.04015	10.2
153.14294	0.8
159.04561	3.6
160.05290	1.6
161.02472	3.4
161.06087	6.2
162.03206	2.0
163.00356	2.2
163.04031	2.5
164.01161	15.9
165.01945	7.0
167.03490	1.2
173.06140	1.3
174.03214	0.9
175.04097	4.2
175.07632	2.0
176.04280	0.8
177.01929	4.6
177.05458	0.7
179.03522	5.6
185.06093	1.6
187.04021	4.9
188.04756	3.1
189.05586	1.4
199.07744	1.1
201.05641	1.1
202.06345	1.8
203.03458	1.0
203.07153	13.7
205.01573	3.9
205.05063	8.9
221.08162	3.6
227.03613	0.8
227.07138	3.6
229.05136	1.2
245.08221	16.0
245.36604	0.8
247.06073	1.9
253.05070	1.4
255.03075	1.1
256.03781	1.7
257.04782	0.8
271.06125	11.7
273.04520	1.5
273.07727	7.6
281.04633	1.0
285.04077	0.9
285.07104	0.8
289.07196	100.0
290.07584	5.4
309.51743	0.8
309.55310	0.8
328.05933	1.3
329.06650	3.8
381.09906	1.7
397.14783	0.7
407.07715	11.6
408.08218	0.9
435.10837	12.5
436.11966	0.8
543.12982	1.2
561.14124	5.6
564.87634	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54760	0.4
51.27249	0.3
55.01879	1.5
57.03444	5.7
58.00594	1.3
59.01377	84.3
60.01719	0.9
61.98832	0.6
63.68353	0.3
69.03455	3.6
69.21303	0.3
69.31660	1.8
69.32067	0.8
71.01381	23.9
71.05022	1.5
72.99305	2.0
73.02946	11.3
75.00883	0.5
79.01900	0.4
83.01385	3.9
83.04995	0.3
84.66586	0.3
85.02950	9.2
85.06587	1.3
87.00887	1.3
89.02440	11.1
93.09071	0.4
95.01376	2.6
97.02965	1.5
97.06625	0.5
98.20681	0.6
99.00872	2.8
99.04519	4.6
101.02440	15.7
102.02734	0.4
109.06591	0.4
113.02443	10.8
119.03494	4.1
125.02444	1.8
125.09695	0.7
127.07659	0.6
131.03471	0.9
139.11334	0.7
143.03511	1.2
143.10779	1.6
149.04491	0.5
153.12790	1.7
155.10857	0.3
159.02985	0.6
161.04576	2.4
179.05650	1.0
185.00864	2.7
186.92044	0.4
195.17529	0.5
197.20525	0.4
225.18570	2.2
293.24872	1.6
295.26239	0.4
311.25821	0.4
331.35648	0.3
337.23846	0.6
339.25250	2.7
355.24835	0.8
373.25876	0.4
473.30951	0.5
499.29065	5.3
517.30170	5.2
518.30499	0.8
541.30304	0.5
559.31183	100.0
560.31494	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	559.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37010	0.7
52.38774	0.9
59.01376	16.1
61.98813	1.0
69.27652	0.6
70.05646	2.8
71.01367	3.6
77.14561	0.8
78.95924	0.7
83.01377	0.9
84.72135	0.7
89.02451	2.7
101.02435	2.7
101.74419	0.8
109.51173	0.6
113.02466	1.5
119.03496	1.1
161.04504	1.0
181.70383	0.7
235.08157	1.9
253.09262	13.7
262.23651	0.8
263.20129	100.0
264.20450	6.0
400.88934	0.9
541.67725	0.8
559.32678	2.8
571.10211	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20347	0.7
55.01872	1.8
57.03444	23.1
58.00596	1.1
59.01377	100.0
60.01715	1.1
61.98834	2.4
69.03442	1.1
69.78302	1.0
69.78715	2.4
71.01379	25.5
71.05013	2.0
72.99314	2.0
73.02943	15.4
75.00321	0.6
75.00890	1.2
77.23197	0.6
79.24368	0.5
81.03422	1.2
82.94883	0.5
83.01381	4.6
83.05043	0.7
85.02948	11.3
87.00887	2.3
87.04529	2.7
89.02438	11.4
93.03480	0.7
95.01387	2.2
97.02966	0.7
97.04627	0.6
99.00896	2.5
99.04513	26.0
101.02438	22.7
109.02967	0.6
111.00890	0.7
113.02441	12.2
114.02883	0.5
115.00381	1.1
119.03516	3.8
121.51300	0.5
123.04517	0.7
123.92612	0.6
124.55341	0.7
125.02438	10.2
131.03503	0.6
135.04555	1.3
137.02303	0.7
139.11348	0.8
141.09204	0.7
143.03502	2.8
159.03040	1.3
159.04543	0.9
161.04541	5.9
179.03561	0.8
179.05638	1.6
191.05643	0.9
192.15729	0.7
203.03563	1.0
211.13504	0.8
217.15967	1.4
242.02245	0.8
253.18185	1.5
337.23895	2.3
339.25507	1.8
355.11929	1.0
355.24875	6.0
359.28027	1.7
372.39905	0.7
397.22220	1.7
415.23444	6.2
422.10153	0.8
457.24460	2.1
473.31656	0.9
499.29120	13.9
500.29898	0.9
515.28387	1.6
517.30212	6.9
518.30786	0.8
559.31293	57.2
560.31775	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	559.276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44176	4.6
57.03438	8.6
59.01112	7.1
59.01379	100.0
61.98824	18.3
71.01389	25.6
71.51363	7.3
73.02943	14.4
75.00837	5.8
83.01357	6.6
85.02949	14.8
87.04497	5.4
91.39433	5.0
99.00867	5.9
101.02439	12.2
113.02425	10.8
136.16762	4.5
172.74677	4.8
177.01923	32.6
181.12317	5.8
209.11873	10.7
223.16949	7.2
225.11290	15.3
230.93198	4.7
243.12381	6.7
293.21133	10.2
311.22183	11.6
337.10684	5.2
337.23807	18.0
357.92743	4.5
455.26285	10.0
473.27365	18.2
499.29822	5.6
515.28589	95.2
527.28534	15.7
559.17474	7.6
559.31274	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	559.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.3
57.03449	5.5
58.00616	1.2
59.01378	100.0
61.98843	2.9
67.01884	1.0
69.03453	82.2
69.25639	5.0
69.26057	2.1
71.01379	27.0
71.05022	1.4
72.99316	2.8
73.02945	20.2
75.00872	1.0
79.01894	4.0
83.01384	5.4
85.02950	9.7
85.06599	2.2
87.00902	1.7
87.04515	1.4
89.02442	11.8
95.01395	5.2
97.02947	15.5
98.03301	1.1
99.00874	24.9
99.04520	6.8
101.02441	19.2
111.36036	0.9
113.02446	12.1
113.06130	1.1
119.03467	5.6
123.00890	1.1
125.02475	3.1
125.91161	0.9
129.06927	0.8
135.04524	0.8
139.07782	1.1
141.01938	9.2
143.03529	2.5
153.12868	1.6
159.03108	1.3
159.08376	0.9
161.04590	2.1
169.12361	1.1
179.05595	2.0
185.00906	83.6
186.01277	1.2
193.05357	0.8
211.17111	2.2
311.26126	1.3
337.23727	1.3
339.25519	2.6
343.24869	1.5
355.24826	10.6
373.25885	15.1
379.25073	1.0
397.22299	1.2
499.29047	21.3
517.30090	8.9
558.30127	0.9
559.31396	55.1
560.31848	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	559.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40607	1.6
57.03448	13.1
59.01381	59.6
61.98810	1.7
69.16018	6.6
69.16434	9.4
71.01381	19.8
72.99279	2.6
73.02932	6.2
83.01369	3.3
85.02943	4.9
87.00832	3.3
89.02445	13.7
96.96013	1.9
98.20670	3.9
99.00867	2.6
99.04505	15.3
101.02441	16.1
103.05549	1.8
108.02078	1.7
109.02954	20.7
113.02440	8.9
115.00352	5.2
119.03482	5.3
119.04951	3.2
121.02924	5.1
125.02433	11.4
128.03496	3.1
130.04239	5.2
133.01440	1.9
133.02959	6.0
134.03757	11.6
135.04529	13.8
137.02444	4.2
143.03448	2.6
145.02931	4.0
146.03723	2.2
147.04486	3.0
148.05249	3.3
149.06052	6.6
153.41620	1.8
159.04497	30.8
161.02484	10.1
161.04518	2.5
171.04585	3.3
173.02429	2.0
173.05998	6.7
175.03978	2.4
176.04767	2.4
178.02785	2.3
179.03462	2.4
183.04532	2.5
187.02417	2.0
193.05046	46.2
193.06789	2.6
198.03210	3.5
199.03976	5.1
203.03439	9.1
209.05946	2.1
211.03976	9.9
211.07768	2.1
217.04939	4.2
223.07632	2.9
231.06503	3.1
233.06097	3.7
235.07805	2.3
237.05580	2.1
239.10986	1.8
243.06625	2.7
247.07590	3.6
249.05528	2.8
249.09378	1.7
250.06369	3.2
251.07114	14.3
259.07553	4.4
261.05386	2.0
263.07156	2.3
264.04333	2.7
265.04944	6.3
265.32309	1.9
266.05856	12.8
275.07123	9.7
276.07834	7.2
277.05496	3.0
277.08698	32.7
278.05746	7.0
278.08591	2.4
279.06622	50.5
280.07297	13.2
281.08151	14.1
285.05453	4.7
286.06146	1.8
291.06540	4.7
292.07346	2.6
293.08127	20.9
294.08557	2.4
301.05005	5.3
303.06622	47.7
304.07062	4.0
305.01297	2.9
305.04547	36.7
306.05225	6.4
309.11151	10.8
319.06143	14.9
320.06735	5.0
321.07605	52.3
322.08136	3.1
329.04468	2.6
331.29395	2.3
335.09174	3.4
347.01599	3.6
347.05588	48.4
348.05853	2.8
353.10291	68.7
354.10522	4.1
379.08209	77.0
380.08618	5.8
397.09271	62.2
398.09335	3.9
559.14514	100.0
559.28046	3.9
560.15436	10.7
560.22919	3.4
586.56671	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	557.2956
Annotation	Tricalysioside N
Peak:m/z	Relative Intensity
55.01879	1.3
57.03448	2.4
58.00593	1.5
59.01378	72.1
60.01700	0.7
60.72762	0.4
61.98829	1.2
69.03471	1.6
70.36396	1.4
71.01382	30.3
71.09297	0.4
72.99303	1.8
73.02944	34.8
74.03291	0.4
75.00891	0.6
83.01389	9.6
84.15906	0.4
85.02943	6.2
87.00873	1.5
87.04512	1.1
89.02434	10.8
95.01392	1.4
97.02954	0.7
99.00887	1.6
99.04518	2.6
101.02439	26.6
113.02449	9.1
115.00384	0.4
119.03490	3.5
125.02452	1.3
131.03497	1.4
137.09639	0.5
139.11269	1.1
143.03505	2.0
149.04558	1.1
155.03473	0.5
161.04552	4.0
169.12370	0.6
179.05565	0.8
183.13826	0.4
190.23914	0.4
211.17030	0.5
213.86993	0.4
221.06644	0.5
267.66183	0.5
268.63831	0.4
273.18515	0.4
291.19623	1.4
291.22977	0.6
293.24841	2.9
333.62073	0.5
335.09180	1.4
335.22205	1.5
337.23795	2.6
342.78720	0.4
353.23038	0.5
359.23526	0.9
359.28012	10.5
360.28281	0.8
497.27292	2.4
513.26776	1.4
515.28638	2.1
539.28259	0.5
557.29620	100.0
558.29944	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53602	0.1
55.73602	0.1
59.01362	0.3
61.98829	100.0
69.26099	1.0
71.78070	0.1
76.99103	0.1
78.95903	0.6
98.20668	0.2
137.86130	0.1
152.99614	0.2
167.01126	0.2
181.64287	0.1
255.23257	1.2
256.23691	0.4
257.23947	0.3
258.24243	0.2
304.72345	0.1
409.23181	0.1
480.30975	0.9
481.31570	0.1
482.31891	0.2
483.31873	0.4
557.32190	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76355	0.5
55.01867	1.6
57.03451	4.6
58.00589	1.7
59.01379	100.0
61.98828	4.6
69.03463	3.1
69.40941	3.9
71.01381	34.3
71.05021	1.4
72.99313	1.8
73.02945	25.2
74.88647	0.6
75.00874	1.3
75.67551	0.6
79.84511	0.5
81.03491	1.2
83.01385	7.8
83.05029	0.8
85.02947	9.7
87.00881	3.1
87.04514	2.2
89.02443	12.2
93.03542	0.5
95.01409	2.1
97.02949	1.4
97.06591	1.3
99.00892	2.7
99.04521	5.0
101.02443	25.1
105.22713	0.6
109.02956	0.9
111.00891	1.1
111.04577	0.6
113.02452	12.0
115.00376	2.1
115.03999	1.8
119.03507	4.3
123.04534	0.8
125.02460	2.4
125.09775	0.7
131.03539	1.3
133.01392	1.0
135.04559	1.7
137.02501	0.8
137.09708	1.3
139.11327	1.1
143.03528	1.4
145.08698	0.8
149.04564	1.1
150.03220	0.6
155.10791	0.9
159.04517	0.7
160.75542	0.5
161.02451	1.0
161.04570	5.7
163.06065	1.0
169.12434	0.6
172.51680	0.5
173.16301	0.5
175.03981	0.6
179.05632	1.3
183.14049	0.8
185.00919	1.2
185.84232	0.5
191.05635	1.1
201.01970	0.6
203.03593	1.0
211.07648	0.5
215.03363	0.7
283.55991	0.6
291.19727	3.2
291.22842	0.7
293.24719	0.9
300.02411	0.6
305.81747	0.5
318.46317	0.6
335.09152	3.5
335.22296	2.9
337.23801	1.0
353.10358	5.8
353.23419	2.0
354.10901	0.7
357.26596	2.8
359.27972	6.0
395.11160	0.7
413.21649	0.8
445.28372	0.7
471.29926	1.6
497.14288	0.7
497.27319	6.5
513.27081	10.3
514.27173	1.3
515.28772	4.5
533.91437	0.6
539.28400	1.1
557.16071	2.5
557.29590	79.9
558.16620	0.7
558.29907	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	557.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85541	2.2
59.01376	100.0
61.98817	4.4
65.00341	2.4
67.30944	2.1
69.03457	2.9
69.29926	19.6
71.01369	25.2
73.02934	16.1
83.01398	4.2
85.02956	6.3
87.00892	4.1
89.02452	7.1
99.00910	3.0
99.04502	5.3
101.02419	16.8
113.02454	8.1
125.02422	3.3
161.04556	2.4
172.76802	2.5
179.03430	3.0
257.99362	2.5
291.19571	8.2
353.23386	3.2
413.21692	3.4
497.27515	3.4
513.26953	52.2
514.27643	5.9
515.28302	2.4
557.29193	12.4
558.30688	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	557.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36757	1.5
57.03453	13.5
59.01380	100.0
61.98817	6.3
69.03453	6.4
69.29321	15.8
71.01380	34.2
72.99300	2.0
73.02947	34.3
83.01382	10.1
85.02961	8.9
87.00882	3.5
87.04495	1.8
89.02438	8.8
97.02915	2.4
98.20607	3.7
99.00879	3.6
99.04506	10.8
101.02443	28.8
113.02435	9.5
116.92854	2.9
117.92832	2.0
118.92625	2.1
119.03480	3.7
125.02406	4.9
143.03491	3.8
161.04509	4.0
185.00833	4.9
265.17917	2.2
291.19678	21.7
353.10184	2.5
353.23218	2.3
388.07822	1.9
413.21619	3.0
497.27579	6.4
513.26990	52.2
514.27429	2.8
515.28510	3.8
557.20508	3.4
557.29376	43.1
557.37183	2.7
558.30139	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	557.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.4
57.03445	100.0
58.00604	0.6
58.03781	0.9
59.01376	53.2
61.98826	0.3
66.89032	0.2
69.03454	1.8
69.61156	0.6
69.61573	0.8
71.01379	17.1
72.99322	0.4
73.02943	23.8
74.03282	0.2
74.52995	0.2
75.00871	0.9
77.19244	0.2
81.03453	4.3
83.01382	6.1
85.02946	3.9
87.00868	0.4
88.82676	0.2
89.02431	1.6
93.03452	0.3
95.01392	0.8
95.05007	0.3
97.02952	1.4
97.06624	0.3
98.20626	0.4
99.00874	0.6
99.04514	90.5
100.04855	1.1
101.02436	38.1
102.02799	0.5
109.06624	0.2
111.00896	0.3
111.04499	0.4
113.02449	7.9
113.06092	0.5
116.92896	0.2
119.03478	1.0
123.04532	2.4
125.02439	41.2
126.02809	0.9
131.03487	1.9
141.05565	1.4
143.03491	6.7
149.04539	1.1
153.05548	0.8
155.03491	2.2
161.04543	2.9
185.00847	0.3
189.03979	0.4
203.05579	3.8
221.06567	0.5
263.07819	0.4
335.22137	0.7
404.81113	0.3
455.22751	0.3
497.27124	0.7
515.28357	0.6
557.29840	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	557.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	23.2
58.00591	12.5
59.01379	52.4
61.98823	2.1
69.54353	9.6
71.01385	16.6
73.02940	9.6
80.40938	1.4
80.62717	1.6
83.01382	3.2
83.75990	1.6
84.21295	1.7
85.02955	12.4
87.00877	3.2
87.04517	23.3
89.02436	5.8
96.81673	1.5
97.02959	5.5
99.04508	20.8
101.02429	12.1
109.02934	2.6
111.08160	1.7
113.02444	5.7
115.00348	1.6
116.60385	1.5
119.03460	2.7
121.02930	4.7
122.03743	7.9
123.04499	6.0
125.02454	14.0
125.06069	1.8
135.08154	4.4
137.06061	3.6
137.09732	19.4
139.07613	5.2
143.03505	1.9
145.02907	4.6
149.02394	3.6
150.03218	66.7
151.04031	7.3
151.11276	2.6
155.10773	100.0
156.11090	4.0
161.02393	1.7
161.04596	2.1
162.03250	3.9
163.03973	4.1
165.05562	34.3
167.10754	2.5
169.12343	3.5
179.10823	9.0
180.04280	11.4
181.08727	6.8
191.10771	6.4
193.48491	2.1
195.06612	81.3
195.10307	6.0
196.06956	1.7
199.09746	55.1
199.13422	2.2
204.19011	1.4
213.11349	4.6
219.42126	1.5
223.09714	2.4
225.11269	2.0
227.12903	2.3
241.10829	17.7
253.10840	5.1
255.12405	5.8
283.11847	27.2
343.14032	11.6
353.10168	4.2
395.20764	2.0
413.21857	3.6
415.16159	6.1
509.20224	58.7
510.20407	3.3
521.20020	5.0
539.21289	48.3
539.29608	2.7
540.21570	4.7
557.22443	65.9
557.28540	3.8
558.22839	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	557.224
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40435	1.0
55.01868	2.9
57.03450	11.8
58.00593	9.3
59.01379	68.0
61.98820	3.3
64.14246	1.0
69.03450	3.1
71.01382	23.8
71.50440	1.4
71.50843	1.6
72.99307	2.5
73.02946	12.2
75.00902	0.9
81.03457	1.4
83.01376	3.0
83.05023	2.1
85.02950	11.5
87.00855	3.5
87.04510	20.6
89.02442	11.6
95.01366	3.0
95.05003	1.3
97.02962	5.4
97.06564	1.4
99.00874	1.3
99.04520	14.2
99.92566	1.4
101.02444	18.3
108.02161	2.7
109.02955	1.2
109.06626	2.4
110.06948	1.0
111.04501	1.1
111.08144	2.5
111.55396	1.0
113.02451	11.1
115.92054	3.2
116.92865	13.9
117.03477	1.0
117.92889	1.8
118.92667	2.4
119.03489	3.7
121.02940	2.6
122.03759	5.4
123.04519	5.6
125.02454	7.1
125.06077	1.7
126.11501	1.1
130.08765	1.1
133.01477	1.7
134.03696	1.3
135.04518	1.3
135.08171	3.6
137.02483	1.1
137.06067	3.4
137.09734	21.1
139.07654	3.6
139.11263	1.7
141.01918	1.9
143.03516	1.8
145.02896	3.2
148.04019	1.2
149.02475	5.7
149.06105	1.0
149.09737	2.1
150.03223	66.8
151.04025	12.7
151.11281	1.6
155.10777	100.0
156.11139	2.4
161.02460	1.8
161.04553	5.0
162.03186	4.5
163.04041	4.9
163.11218	2.5
164.04778	2.2
165.04158	1.8
165.05565	33.5
167.03487	2.8
167.10765	1.9
168.03819	1.5
169.01344	1.8
169.12314	3.7
177.05484	2.1
179.05635	2.3
179.10759	7.2
180.04262	9.5
181.05064	3.0
181.08705	7.3
191.05661	1.5
191.10728	7.3
193.12320	1.9
195.06621	68.1
195.10318	5.5
196.06961	1.3
199.09756	61.1
200.10078	1.1
213.11275	4.0
223.09804	2.1
225.11221	1.7
227.12755	1.6
230.66801	1.2
235.86488	1.0
237.11426	1.4
241.10808	16.0
253.10815	4.8
255.12384	4.1
283.11868	24.8
343.13986	13.0
376.49594	1.1
413.21933	2.4
415.16190	6.9
497.27319	2.6
509.20282	46.1
510.20538	3.6
515.28265	2.4
521.19904	5.0
539.21301	37.8
540.21625	3.5
557.22327	79.3
558.22705	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	557.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25389	1.3
57.03447	20.9
58.00594	8.2
59.01374	70.3
61.98817	2.5
69.03440	2.5
69.37022	1.3
69.37669	7.3
71.01377	19.5
72.99297	1.6
73.02941	12.3
81.03420	1.6
83.01363	3.2
85.02935	10.2
87.00871	3.5
87.04506	19.6
89.02435	8.1
95.01345	1.5
96.95982	1.8
97.02942	4.1
97.06573	1.8
97.68002	1.2
99.00864	2.3
99.04517	24.5
99.92593	6.5
100.71341	1.4
101.02440	16.7
106.13617	1.4
108.02146	2.1
109.02953	1.6
109.06560	1.6
113.02446	11.1
115.04000	1.9
115.92081	6.2
116.92100	2.4
116.92860	26.0
119.03481	3.0
121.02943	3.1
122.03738	5.5
123.04504	5.5
125.02460	10.5
134.94377	1.3
135.08136	4.5
137.06061	2.9
137.09721	18.2
139.07629	3.6
141.01895	2.3
143.03436	2.4
145.02954	3.9
149.02414	4.3
150.03207	67.4
151.04001	9.0
151.11276	2.4
155.10767	93.5
156.11203	1.4
161.02417	2.1
161.04524	3.0
162.03282	2.2
163.03941	3.1
163.11211	1.6
164.04733	1.7
165.05556	38.8
167.10797	2.4
168.00644	3.5
169.12291	3.8
177.05597	1.4
177.09235	2.1
179.05693	1.6
179.10826	7.6
180.04268	5.6
181.08684	7.4
186.99132	1.3
191.10747	5.6
195.06598	50.1
195.10258	5.2
196.06998	1.8
199.09737	47.3
213.11258	3.9
225.11334	2.0
227.12949	1.9
241.10883	12.9
253.10822	3.3
255.12390	4.9
280.03906	1.6
283.11850	21.9
343.13840	8.8
413.21561	3.9
415.15961	7.3
455.22491	1.6
509.20181	42.7
510.20517	4.2
513.14795	1.9
521.20313	3.9
539.21313	22.6
540.21661	2.8
557.13568	3.4
557.22327	100.0
558.22632	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	557.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.8
57.03460	3.0
58.00592	1.4
59.01379	100.0
60.01693	0.5
61.98838	2.2
65.00334	0.7
69.03458	2.4
71.01381	35.1
71.05013	1.2
71.50957	0.5
72.99303	2.6
73.02945	34.2
75.00857	0.9
81.03454	0.6
83.01382	9.6
83.05024	0.9
85.02945	8.0
85.06544	0.5
87.00880	3.0
87.04524	1.5
89.02445	10.3
93.03481	0.5
95.01367	2.2
95.05050	0.5
97.02961	1.2
97.06620	0.6
98.20522	0.4
99.00864	2.5
99.04522	14.1
101.02441	30.1
107.67764	0.4
109.06596	0.8
111.00883	0.5
111.04529	0.6
113.02441	11.3
115.04003	1.5
116.92825	0.5
117.00925	0.4
117.03449	0.5
119.03520	3.3
119.20968	0.4
123.04540	0.6
123.08147	0.4
125.02431	2.8
125.09692	0.4
130.08740	0.5
131.03473	1.1
133.01422	0.6
133.02953	1.6
133.06602	0.8
135.04533	0.6
135.08202	0.4
136.05287	1.6
137.09685	0.9
139.07648	0.5
143.03491	2.1
145.08755	0.5
149.04572	1.0
149.09727	0.5
151.00423	0.7
151.07625	3.2
155.03534	0.8
155.10809	1.4
159.02943	0.7
159.04552	0.6
161.02448	0.4
161.04552	4.3
162.80341	0.5
173.06160	0.6
175.07613	0.7
179.05632	1.0
185.00906	0.8
193.08636	1.4
199.04152	0.4
219.06590	0.9
221.29948	0.5
240.04216	0.5
251.16684	0.4
253.05064	0.8
267.03067	0.6
281.04596	2.5
282.05295	2.0
283.06024	0.9
291.10440	0.6
293.04538	1.3
305.04590	1.2
314.04135	0.7
317.08139	4.2
319.06064	2.5
320.06671	1.3
335.09229	85.8
336.09598	5.0
337.10791	8.1
338.11237	0.5
345.22711	1.6
353.10269	9.0
353.23380	1.2
354.10565	0.6
395.11166	0.8
397.22214	0.6
415.23315	0.7
453.28000	0.5
457.24728	0.5
461.29010	0.5
471.29681	3.0
477.32214	0.5
490.11026	0.6
497.14737	1.2
497.26968	5.1
498.28067	0.6
513.17761	0.5
515.15869	0.8
515.28571	4.8
521.31055	1.6
539.32538	4.4
557.16516	39.5
557.29742	56.8
558.16931	3.1
558.29626	2.8
575.82172	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.5
57.03455	4.0
58.00594	2.0
59.01378	100.0
61.98812	2.2
63.02412	0.5
65.00318	0.8
67.01866	0.5
68.30485	0.4
69.03455	2.3
70.36760	1.0
70.37155	1.0
71.01379	36.1
71.05022	0.9
72.12665	0.4
72.99290	2.4
73.02944	35.5
75.00877	0.8
75.20351	0.4
83.01387	10.9
83.01901	0.7
83.05037	0.7
85.02953	8.1
85.06580	0.6
85.76128	0.5
86.00093	0.9
87.00856	2.6
87.04529	1.1
89.02438	9.6
95.01389	2.4
97.02952	1.4
97.06605	1.4
98.19961	0.6
99.00903	1.8
99.03851	0.4
99.03951	0.2
99.04517	12.6
101.02438	28.8
101.06038	0.4
105.20989	0.4
107.01429	0.7
109.06622	0.6
111.04527	0.8
113.02446	11.3
115.00360	0.7
115.04034	1.1
119.03489	3.2
121.06533	0.5
122.03828	0.5
123.04501	0.5
123.08163	0.5
125.02454	1.5
125.09796	0.5
131.03497	1.5
132.02197	0.5
133.03008	2.1
133.06564	0.9
135.04538	0.7
136.05316	1.0
137.09708	0.7
143.03497	1.6
149.04576	0.9
151.00369	1.1
151.07640	3.5
155.10732	0.5
159.04535	0.8
161.04565	4.4
169.06366	0.5
173.06099	1.0
175.09735	0.5
176.01169	0.8
178.06320	0.7
179.05602	0.8
181.06537	0.6
185.00885	0.8
193.08784	0.6
195.04579	0.5
199.09569	0.5
219.06644	0.8
240.04176	0.7
253.05051	0.6
254.05542	0.6
267.02881	0.6
281.04575	2.4
282.05304	1.5
291.06693	0.7
291.09915	0.6
291.19559	0.6
293.04654	1.1
305.04501	1.3
307.05801	0.5
314.04422	0.7
317.08087	4.7
319.05975	2.5
320.06836	0.8
335.09222	86.8
335.22211	1.4
336.09641	5.8
337.10791	8.6
345.22842	2.3
350.11420	0.8
353.10306	6.7
353.23145	1.0
395.11581	0.5
413.21713	0.5
415.23297	1.0
471.29541	2.1
471.78461	0.5
493.31964	0.6
497.14365	0.6
497.26947	5.3
515.15771	0.7
515.28625	3.3
521.30920	1.4
539.32336	2.9
557.16547	39.5
557.29834	50.9
558.16760	3.5
558.29529	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	557.151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.5
59.01379	10.4
61.98802	0.5
66.33871	0.5
71.01379	8.6
71.25408	0.5
71.49680	0.9
72.99281	0.5
73.02947	1.7
79.00213	0.5
83.01418	0.6
83.92950	0.5
84.50486	0.5
85.02945	2.0
87.00878	1.2
89.02443	9.9
93.03454	0.7
96.00901	1.2
96.96014	5.1
99.00919	0.5
101.02438	6.2
113.02450	4.1
117.03471	4.3
118.06645	0.6
119.03503	3.1
119.05009	0.9
125.02451	0.8
125.07204	2.6
131.03494	1.5
133.01425	0.8
135.04517	3.1
143.03488	1.2
145.02939	2.2
146.03781	0.7
147.04546	1.2
149.04547	0.7
152.07191	0.7
161.02475	1.3
161.04588	2.9
163.03935	1.5
173.02419	8.8
174.03207	36.1
175.03604	1.4
179.03360	0.8
179.04034	0.8
179.05589	7.5
180.06717	1.1
189.05557	27.7
190.05812	0.7
191.05617	3.0
201.01918	100.0
202.02257	4.2
217.13539	0.7
221.06679	4.5
233.04535	19.7
234.04797	0.8
297.12335	1.3
314.15073	3.2
321.48026	0.6
332.16028	1.0
365.08725	1.1
557.14929	7.4
558.15039	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58604	0.6
53.59326	0.6
55.31455	0.6
57.03455	1.3
59.01379	26.4
61.98830	82.9
71.01382	5.2
71.50372	0.9
73.02944	8.0
78.77866	0.7
83.01394	2.4
85.02965	1.6
89.02452	2.6
94.77391	0.6
96.96006	1.0
97.01306	0.7
101.02435	6.8
105.03522	0.6
113.02448	2.9
116.92867	1.2
119.03510	1.5
125.02480	0.9
143.03485	1.7
148.06689	0.6
149.04584	1.0
161.04520	3.4
211.03990	26.5
212.04582	2.1
221.06602	1.0
224.01091	0.7
225.05624	0.7
227.07121	100.0
228.07520	5.1
229.08633	2.3
245.08209	2.0
398.70703	0.8
449.14600	7.5
450.14737	0.9
496.81790	0.7
555.34271	0.9
566.78894	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3253
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90339	0.5
59.01376	0.9
60.15403	0.5
61.98829	100.0
77.04667	0.6
78.95937	0.6
126.74278	0.5
167.00975	0.6
170.60672	0.5
223.15164	0.5
255.23289	1.2
256.23660	0.9
257.23907	0.6
339.86102	0.5
394.87775	0.5
471.34760	7.5
472.35403	1.3
556.32501	59.1
557.32953	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	557.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30624	0.3
57.03451	7.1
58.00583	0.6
59.01382	30.6
61.12568	0.3
61.98834	2.0
67.01891	1.4
69.03471	1.4
71.01384	7.5
71.50233	0.4
71.50632	0.5
72.01648	0.3
72.99317	0.7
73.00547	0.3
73.02946	6.1
81.03471	0.8
83.01398	1.5
83.05014	0.8
85.02959	11.4
87.00874	3.8
87.04528	0.7
89.02448	3.9
93.03469	8.2
95.01412	1.0
95.05016	0.9
96.96027	0.7
97.02986	0.6
97.06620	0.4
99.00918	0.9
99.04527	8.6
99.58329	0.3
99.92618	0.5
101.02451	6.9
105.03468	1.8
109.02964	2.1
109.06625	0.5
111.04523	1.7
113.02461	4.6
113.06122	0.5
115.92088	0.4
116.92889	0.7
119.03526	1.1
123.04523	0.7
124.74129	0.4
125.02479	3.1
127.03212	0.5
127.04025	2.4
132.02176	3.8
133.02963	17.5
134.03740	0.5
135.04541	2.8
137.02480	0.4
137.09767	0.5
143.03510	1.2
145.02962	0.6
149.04527	0.4
151.07706	0.6
155.03485	0.6
160.01662	7.5
161.02420	1.3
161.04594	1.4
161.06084	5.6
167.03580	0.6
168.21687	0.3
173.04520	4.3
176.04855	0.4
177.01929	14.9
178.02486	0.4
179.03505	0.9
179.05626	0.7
183.74828	0.4
185.00902	0.5
187.04018	0.6
191.05620	100.0
192.05923	2.0
193.08591	0.4
203.03479	0.8
205.05031	5.8
215.05638	2.2
220.03804	0.6
308.08841	0.5
335.22473	0.8
347.05585	0.7
351.07227	6.8
353.10263	1.3
353.23419	0.5
365.06638	5.2
383.07758	2.1
497.27631	1.6
515.28406	1.3
536.73944	0.4
539.32715	0.4
557.12976	18.5
557.29120	9.8
558.13165	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	554.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	17.6
60.58916	0.9
61.98828	100.0
67.87114	1.0
69.03458	9.4
70.14982	1.0
71.01376	5.0
71.51024	1.3
73.02936	1.2
79.01888	4.0
80.76890	1.3
83.87200	1.0
95.01389	2.0
97.02953	3.9
99.04523	1.4
101.02432	2.7
107.01373	8.7
108.02178	16.8
109.03004	1.2
113.02444	2.5
122.00444	1.1
123.00857	1.9
125.02426	10.1
135.00873	33.7
135.04495	1.2
137.02405	1.3
151.00333	1.5
152.01144	51.8
153.01793	1.0
161.12163	1.3
225.16570	1.2
243.06599	87.5
244.06963	3.0
285.07666	1.1
357.26349	4.2
447.29291	1.2
553.32288	1.9
555.27930	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	554.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.8
61.98819	1.1
70.08231	0.4
78.95902	24.7
80.96506	0.7
87.32279	0.4
96.96944	0.5
99.20928	0.4
152.99576	2.7
168.04317	3.7
199.86729	0.4
224.06932	8.8
242.07999	2.0
261.22217	0.5
261.70383	0.5
279.23273	100.0
280.23587	5.6
300.93674	0.4
310.58853	0.4
504.30957	65.6
505.31265	5.1
554.26953	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	554.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78345	0.3
51.77399	0.3
59.01382	20.9
63.74640	0.3
69.21081	1.3
69.21508	1.2
70.32610	0.3
78.95908	17.6
81.06861	0.3
81.63853	0.3
90.37469	0.3
96.97014	0.4
134.98570	0.3
152.99568	2.8
168.04305	2.5
187.37784	0.3
224.06944	7.9
234.41295	0.3
242.08008	1.5
255.23297	100.0
256.23672	4.2
428.25717	0.3
480.30963	62.5
481.31332	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	554.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57648	0.2
58.97201	0.3
59.01383	16.5
61.98825	0.7
67.08482	0.2
71.49206	0.4
76.98013	0.2
77.87068	0.3
78.95906	4.9
80.96518	0.6
93.83382	0.3
95.06449	0.3
134.30595	0.3
146.10062	0.3
152.99583	1.2
168.04288	1.0
224.06961	0.8
242.07985	2.0
255.23297	100.0
256.23630	5.8
295.64450	0.3
337.39777	0.3
387.00580	0.3
471.34674	0.6
472.35114	5.7
480.30948	31.0
481.31329	2.1
485.95499	0.4
554.27264	0.9
554.35449	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	555.2841
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
59.01363	0.8
60.68547	0.5
63.96222	1.0
66.69215	0.4
70.06218	1.5
71.01379	6.3
73.02946	1.2
73.50984	0.5
78.98580	5.2
79.95735	8.2
80.96515	60.6
85.02938	2.3
87.00845	2.2
94.98088	15.0
96.96008	1.0
97.02946	1.7
101.02462	2.4
106.98067	2.9
122.97591	2.9
124.26135	0.6
125.02456	2.3
127.04013	0.7
134.97581	4.1
136.99104	1.5
148.99130	4.7
152.98625	5.0
164.98624	10.1
206.99640	2.2
225.00723	16.1
255.23306	2.4
299.04349	3.5
520.51611	0.5
555.28400	100.0
556.28754	7.9
572.73712	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88888	0.4
59.01370	0.8
63.96219	0.8
70.51064	1.1
71.01375	6.6
73.02943	2.0
78.98588	5.3
79.95731	10.1
80.96513	62.2
81.03459	0.7
82.91113	0.5
85.02937	3.0
87.00873	2.7
94.98082	14.3
96.96017	0.7
97.02953	1.3
99.00867	0.5
101.02451	2.5
106.98091	3.3
122.97586	4.8
125.02462	2.2
127.04050	0.8
130.87259	0.5
134.97606	3.5
136.99155	1.2
143.03427	0.5
148.99124	5.2
152.98636	5.9
159.95616	0.4
164.98621	8.4
167.00175	0.6
182.99646	1.8
206.99637	3.1
224.85159	0.5
225.00728	18.1
243.01753	0.5
255.23210	3.3
299.04507	2.8
332.34680	0.5
370.14917	0.5
456.51941	0.5
525.37958	0.5
555.28375	100.0
556.09644	0.5
556.28674	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	553.3516
Annotation	Muscanone
Peak:m/z	Relative Intensity
53.99654	0.7
56.88958	0.7
59.01392	5.9
61.98823	3.0
71.01360	1.5
78.95888	3.3
78.98602	0.8
79.95712	1.7
80.96524	9.2
83.73808	0.8
94.98066	1.7
96.96004	0.7
127.53363	0.7
132.16142	0.8
152.98503	0.9
164.98610	1.4
168.04198	0.9
225.00711	1.9
242.07944	1.6
255.20685	1.7
255.23303	35.1
298.71213	0.8
423.32547	1.1
447.93802	0.8
471.34799	100.0
472.35080	10.3
480.30957	7.7
553.26575	13.4
553.34943	61.8
553.42706	1.1
554.27594	1.8
554.35254	6.2
560.05670	0.8
577.68347	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58650	0.4
55.01867	0.9
57.03458	2.2
58.00580	0.9
59.01381	20.0
61.98821	1.9
67.51714	0.5
68.99815	0.5
69.43218	1.3
69.43636	1.8
71.01382	15.6
72.99308	1.0
73.02946	15.9
74.57639	0.4
75.00868	1.2
83.01392	2.3
85.02951	5.9
87.00861	1.1
87.04497	0.5
89.02451	6.8
95.01382	1.2
97.06593	0.4
99.00893	4.4
100.01675	2.5
101.02444	9.2
109.02995	0.7
111.00877	4.4
113.02456	5.7
119.03474	2.5
123.08157	1.2
128.01190	2.9
133.01492	0.4
134.03711	0.7
135.04526	2.1
137.02483	0.5
143.03392	0.4
146.42105	0.5
156.00645	18.6
157.12221	0.6
161.04608	0.5
178.02747	0.6
178.92062	0.4
179.03418	0.7
193.05042	1.1
217.14471	0.5
287.16394	0.8
317.23318	3.6
345.26364	1.4
373.25916	2.0
388.73688	0.4
391.18091	0.5
391.26773	1.1
479.28485	1.7
535.23297	0.8
535.31079	5.2
553.32288	100.0
554.32635	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	553.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.9
57.03432	1.7
59.01380	14.7
61.98815	1.2
63.79316	0.4
71.01381	12.8
71.49801	0.8
72.99305	1.1
73.02949	49.8
75.00880	0.8
83.01402	3.0
85.02943	5.7
87.00851	0.9
87.04492	1.0
89.02430	6.1
92.04437	0.5
95.01370	1.4
97.06566	0.6
99.00887	1.3
99.04477	0.6
99.08170	0.7
101.02444	11.3
109.02935	0.9
111.00905	0.9
113.02430	4.8
113.09725	0.6
119.03490	2.1
123.04531	1.2
123.08144	0.8
127.13725	0.5
129.09212	0.9
130.22801	0.4
134.03748	3.2
135.04532	0.5
137.02449	0.7
141.05643	0.7
141.09206	1.8
149.06029	1.5
159.02951	0.5
165.05504	0.6
169.12337	0.7
177.84543	0.5
178.02644	2.4
187.13387	1.2
192.39055	0.6
193.05061	6.9
215.09251	0.7
317.23303	7.2
344.53931	0.5
383.94559	0.5
411.17200	0.6
421.94370	0.6
479.28586	7.9
535.31097	3.4
553.32281	100.0
554.32648	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	553.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93185	1.3
57.03445	8.4
59.01377	12.5
60.99302	9.4
61.98822	1.7
68.98866	1.4
71.01366	6.8
73.02937	7.2
83.01381	1.7
85.48807	1.4
88.98804	60.6
97.02984	1.8
98.95566	3.2
99.04540	10.2
99.31522	1.4
101.02440	4.3
103.52959	1.8
109.02995	2.3
113.02399	2.9
120.24786	1.8
121.02923	2.7
125.02457	10.6
133.02917	2.3
135.04539	4.2
136.28268	1.6
138.99414	1.7
144.23174	1.7
151.00354	9.0
154.33472	1.5
161.01144	3.3
161.02438	56.5
163.00288	2.7
164.01123	1.8
178.99818	4.6
186.99858	1.7
201.87900	1.6
208.14455	1.6
233.99742	1.8
243.02861	8.5
255.02972	13.9
270.99734	2.6
271.02451	35.6
272.03021	2.2
300.02737	75.7
301.03470	32.9
370.88681	1.8
446.14511	2.1
463.08807	100.0
464.09198	5.8
533.27301	1.9
552.30463	1.9
553.24023	2.4
553.32098	13.1
571.93188	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	553.1925
Annotation	Osthenol-7-O-beta-D-gentiobioside
Peak:m/z	Relative Intensity
57.03439	1.0
58.00593	0.5
58.22533	0.4
59.01381	7.8
61.98827	3.8
64.19106	0.4
65.60757	0.3
69.03458	0.7
70.01563	0.4
71.01376	3.1
71.50729	0.6
73.02926	1.3
75.00858	0.4
78.60555	0.4
83.01387	0.5
85.02949	1.3
89.02442	1.4
91.01854	0.4
95.01353	0.4
99.04504	0.7
101.02430	1.5
113.02461	0.7
121.02911	0.4
130.04231	3.1
134.03641	0.6
135.00887	2.0
135.04527	2.3
145.02933	0.6
146.03674	0.5
150.03220	0.4
153.01909	1.3
159.04475	0.9
161.02448	3.1
161.04552	0.5
162.57167	0.4
165.05569	1.2
173.02434	2.4
173.03697	0.4
174.03203	21.1
175.03555	1.0
176.03505	0.9
179.03474	1.2
189.01903	0.5
191.05522	0.4
206.02191	18.2
207.02621	0.6
214.06389	1.1
215.12801	0.5
216.07890	1.2
227.07277	0.5
229.08673	100.0
230.09026	4.2
235.04802	0.6
244.07446	3.5
259.09799	0.9
287.09412	0.5
303.58948	0.4
311.22324	0.6
313.22800	0.6
329.23370	1.3
330.23752	1.2
331.23959	1.1
339.07150	2.2
355.25037	1.1
377.35706	0.5
492.28906	0.5
493.29254	1.3
505.19656	0.4
549.49927	0.4
552.31061	1.7
553.19116	0.7
553.23096	0.5
553.31506	9.9
554.31573	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.4
59.01378	8.9
60.01666	0.6
61.98827	5.4
69.03451	1.5
69.73750	3.8
69.85934	0.6
71.01381	6.5
73.02558	1.2
73.02946	14.1
80.53024	0.7
85.02953	2.5
87.04512	3.3
88.98791	1.5
89.02437	1.0
95.05014	2.3
96.96004	7.7
97.02939	2.1
97.06589	12.3
99.00899	0.8
101.02430	3.1
109.02934	1.0
109.06558	0.8
111.04519	1.7
113.02449	2.0
115.00367	1.5
115.04017	2.0
115.15424	0.7
121.02970	1.4
121.06608	4.0
123.04524	11.1
125.02435	0.6
133.01434	1.8
133.02950	2.4
134.03738	56.9
135.04494	1.3
137.02441	10.7
139.03996	3.1
139.07651	2.9
141.05573	13.0
147.04546	2.9
149.06062	16.9
149.07236	0.9
150.03230	1.8
151.07570	0.8
153.05574	1.0
153.09186	2.3
156.00664	1.8
156.08978	0.7
157.02921	1.0
159.04568	1.1
161.02481	0.7
163.07654	1.8
165.05556	3.4
167.03532	1.0
174.03177	2.4
175.04041	4.6
177.09180	0.7
178.02708	39.2
179.03276	3.0
183.06567	2.6
193.05046	100.0
194.05399	2.9
197.08192	1.2
199.56042	0.9
206.02264	1.4
215.09247	5.6
229.08659	10.7
247.13387	1.3
252.56638	0.7
257.10367	1.1
279.91840	0.8
299.11270	1.5
320.07791	0.9
351.12271	1.3
359.13480	11.6
393.13400	9.6
421.29257	0.8
449.79483	0.7
463.85016	0.8
479.15430	1.6
489.07803	1.0
523.19250	1.8
530.37817	0.8
552.31232	2.9
553.19287	19.0
553.31799	12.4
554.19830	1.5
554.32367	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01110	1.0
59.01378	14.0
61.36575	0.7
61.98814	0.9
63.11028	0.7
63.21194	0.7
71.01376	2.6
71.41463	1.6
81.96954	0.7
88.72532	0.7
89.02454	2.5
101.02449	3.0
113.02457	0.9
142.97054	0.7
161.04500	1.2
186.96492	0.8
221.38243	0.7
235.08154	3.5
253.09320	11.0
255.23282	100.0
256.23605	4.3
279.93567	0.9
343.54324	0.9
363.80679	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09684	0.4
56.48013	0.5
59.01370	1.7
61.98820	1.1
67.02482	0.5
71.01380	0.7
78.95898	29.0
98.19878	1.1
123.59188	0.5
152.99561	3.9
168.04306	4.0
186.79385	0.7
224.06902	10.4
233.22639	0.6
242.07913	2.6
277.21698	100.0
278.22040	5.6
345.36584	0.5
502.29376	74.6
503.29581	5.8
522.17200	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92266	1.1
53.57062	0.8
57.34317	0.9
59.01382	2.1
61.34839	0.9
61.98831	2.7
68.18775	0.8
71.24426	0.9
71.50612	1.3
78.95903	7.7
133.72121	0.9
139.04146	0.9
168.04276	2.3
224.06769	1.2
242.07999	4.1
259.20813	1.0
277.21713	100.0
278.22089	4.4
340.44427	0.9
398.09402	1.0
424.08618	1.0
502.29382	29.8
503.29645	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	552.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.53692	0.5
63.11437	0.6
68.99542	0.7
70.14561	1.2
70.14944	1.0
80.96525	2.3
94.98087	0.6
203.28418	0.7
225.00710	0.6
253.21962	0.7
471.35223	1.9
553.27167	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2993
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98797	16.3
69.31432	100.0
101.13147	12.6
113.64632	12.4
154.32753	12.1
196.65669	16.1
279.23392	12.9
309.79089	11.2
448.23102	17.7
463.24432	29.5
551.20898	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.307
Annotation	Capisterone B
Peak:m/z	Relative Intensity
55.01875	0.5
57.03438	1.1
58.00602	0.7
59.01377	18.2
65.56429	0.3
69.03478	0.4
69.91295	1.2
71.01375	8.2
72.99297	0.8
73.02934	2.5
83.01363	1.0
85.02953	2.8
87.00887	0.8
87.04505	0.6
89.02440	6.1
89.02956	0.6
95.01383	0.7
97.06577	0.7
98.20589	0.4
99.00902	0.5
101.02440	6.1
109.06572	0.8
113.02441	2.5
119.03521	1.8
123.08144	0.9
135.08122	0.6
141.12854	0.7
153.09216	0.5
157.12315	1.0
161.02405	0.6
165.12830	0.7
169.12343	3.0
173.02310	0.5
183.13916	2.1
185.11809	2.2
187.13382	0.3
194.58943	0.3
215.12889	1.0
227.12856	1.5
273.29190	0.3
293.21231	1.8
305.71515	0.3
309.20966	0.4
309.24237	1.5
311.22256	15.3
312.22330	0.7
327.21729	1.8
327.25375	4.0
329.23309	36.4
330.23679	2.2
343.25107	0.3
349.34949	0.3
371.24396	0.6
389.25336	1.0
456.96561	0.3
473.27502	0.7
489.30524	2.5
491.28589	26.6
492.29263	2.0
507.28000	1.2
533.29596	0.7
551.30670	100.0
552.22546	0.5
552.31006	8.7
577.26794	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.8
57.03443	6.4
58.00592	3.4
59.01379	80.5
61.98837	8.8
65.25964	1.5
69.03452	3.2
69.15563	16.3
71.01382	50.1
71.05005	1.9
72.99313	3.0
73.02940	15.1
83.01392	5.6
85.02956	15.2
87.00867	6.1
89.02447	42.0
95.01389	3.5
97.02934	2.8
97.06590	2.0
98.20684	3.3
99.00887	2.9
99.04521	2.9
101.02444	34.7
111.08128	2.6
113.01718	2.2
113.02455	21.2
115.00388	1.6
119.03506	20.5
120.62310	1.7
121.02969	4.0
123.04517	2.0
125.02433	6.0
131.03561	2.3
133.01411	2.6
135.04539	4.5
143.03566	3.8
149.04459	2.8
159.04495	7.2
161.02464	3.4
161.04549	7.2
165.05592	2.1
165.12840	35.8
169.12291	7.3
171.10229	2.6
175.04091	1.7
177.01862	1.8
178.32286	1.6
179.05659	8.4
183.13898	97.0
184.14253	3.3
191.05566	3.1
201.01860	4.9
203.03448	2.0
209.11816	3.3
227.12880	85.9
228.13191	5.2
237.14954	4.9
257.08154	6.9
263.12814	3.9
281.13931	6.8
295.10254	1.7
299.15045	2.1
309.24280	1.7
311.22223	12.7
315.21625	3.7
327.25430	4.0
329.23334	21.2
341.10861	23.1
347.12958	1.8
353.15729	1.9
371.17035	11.6
389.18033	2.6
389.25391	12.7
465.26926	2.7
477.27060	2.7
489.30789	2.2
491.28326	14.4
507.27884	23.0
508.28000	3.0
551.23248	71.0
551.30774	100.0
552.23450	7.9
552.31219	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39820	1.0
55.01877	1.2
57.03439	7.1
57.25859	0.9
58.00586	1.4
59.01376	81.2
61.98820	9.6
69.78013	1.9
69.78399	2.6
70.91984	1.0
71.01015	1.4
71.01378	20.9
72.18987	1.0
72.58766	0.9
72.99303	1.8
73.02950	15.5
75.00873	1.9
79.95722	1.8
83.01369	4.4
83.04990	1.3
85.02943	7.9
87.00860	2.7
89.02435	7.4
91.01881	3.4
95.01362	1.6
96.96006	61.5
96.96982	2.4
97.02947	1.3
97.06592	2.4
98.20612	1.9
99.00885	2.3
99.04505	10.4
99.08174	1.1
101.02435	18.2
109.02944	8.5
113.02453	9.5
114.93366	2.2
119.03467	2.0
122.17962	1.0
125.02448	7.2
125.09714	1.5
129.09196	1.5
133.01425	1.3
135.00897	11.0
135.04485	2.7
137.02463	1.3
143.03450	1.4
153.01909	6.8
159.04530	1.3
161.04532	2.3
171.10272	1.5
177.01854	1.5
183.13779	1.0
187.11284	2.0
211.03943	2.1
222.29314	1.0
227.07127	7.3
285.20715	2.8
301.20230	1.5
303.21698	1.2
315.07233	1.6
324.97006	1.0
329.23264	1.3
341.46054	1.2
347.24341	1.5
371.24414	1.8
377.14435	1.3
389.25220	3.2
429.24838	2.3
431.26266	1.7
443.11984	7.2
444.12259	1.1
447.26010	8.1
449.14465	0.9
449.28024	1.2
457.69336	1.1
465.26797	5.2
477.26474	1.0
491.28674	2.7
507.27969	43.2
508.28516	3.1
509.29556	2.7
533.29669	3.4
551.30646	100.0
552.30774	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	551.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41275	0.8
57.03446	38.0
59.01376	23.2
61.98827	4.7
69.14115	0.8
69.67691	2.0
69.68107	3.6
71.01372	5.5
71.49532	1.0
72.61431	0.9
72.99288	1.0
73.02935	1.7
81.03467	1.7
84.82047	0.9
87.00848	0.9
89.02441	4.1
93.03487	0.9
99.04516	36.9
99.58937	0.8
100.04885	0.9
101.02440	9.3
103.05533	1.7
113.02458	1.7
118.08473	0.9
125.02441	22.7
130.04221	6.6
131.05045	1.1
135.04486	3.0
141.31863	0.9
143.03371	1.3
149.06041	2.9
150.03230	1.4
159.04504	100.0
160.04816	4.0
165.05548	1.1
168.83607	1.0
175.03976	2.7
176.04231	0.9
179.03471	1.3
195.06606	1.2
199.15157	0.9
201.01871	5.6
233.50200	0.9
286.68805	1.0
375.03641	1.1
551.31476	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	551.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	8.8
61.98828	4.9
71.01366	2.0
73.02978	0.9
81.90563	0.7
83.01357	0.8
85.02960	1.0
87.00890	0.8
89.72969	0.7
101.02432	1.1
113.02431	1.0
116.75179	0.7
117.03471	2.8
145.02975	2.1
147.04491	1.3
156.74471	0.8
157.39612	0.9
158.34200	0.7
173.02440	2.4
201.01918	100.0
202.02315	3.7
301.54138	0.7
339.84311	0.9
551.30005	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.5
59.01379	6.3
61.98832	1.8
69.03459	1.5
70.25362	2.9
71.01395	2.6
85.02937	1.2
89.02457	1.7
93.03452	1.6
98.20609	1.0
99.04491	1.1
101.02444	2.0
107.11763	0.9
109.02933	0.9
116.92883	1.3
119.03525	1.4
121.02963	7.8
122.03750	3.2
123.04495	0.8
125.02412	1.5
133.03006	1.7
134.03749	46.3
135.04539	2.5
137.02422	7.4
139.04028	2.8
149.02432	13.6
149.06078	15.2
150.03239	32.3
151.03943	1.4
164.04787	2.8
165.05579	37.9
166.05988	1.4
178.02713	26.2
179.52780	0.8
180.04277	3.1
181.05084	2.0
193.05061	100.0
194.05432	3.0
195.06635	25.4
196.07048	1.3
235.06131	1.5
239.07095	1.6
250.06345	2.2
267.06567	1.1
282.09100	5.2
285.04153	1.4
297.07648	0.9
297.11240	1.0
341.10300	30.4
342.10535	2.2
345.07678	1.3
371.11279	1.2
389.12396	20.6
390.12671	2.0
413.43372	0.9
551.17780	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.4
57.03449	2.5
59.01379	100.0
60.01722	0.7
60.83359	0.5
61.98828	2.9
69.03449	0.9
71.01382	25.4
71.29906	0.9
72.99308	1.1
73.02949	7.2
83.01402	5.2
85.02947	9.5
87.00902	1.8
89.02446	7.6
95.01382	3.2
97.02982	0.8
99.00888	2.8
101.02446	14.5
109.24991	0.5
111.00924	1.8
113.02449	14.9
119.03500	2.6
125.02455	2.2
131.54726	0.5
142.61436	0.5
143.03539	2.1
159.03033	0.8
161.04564	6.2
175.04033	0.5
179.05591	1.2
225.22266	0.7
247.78706	0.6
253.21910	1.0
265.21805	0.6
281.24686	0.6
283.23074	0.8
297.24609	1.0
299.26111	1.5
311.25998	0.7
327.29065	1.1
329.05130	0.6
329.27112	0.9
343.28720	1.4
345.30057	11.6
345.33957	0.8
346.30557	0.8
357.30261	1.4
395.48013	0.6
441.32538	0.9
489.34326	58.1
490.34811	4.8
505.10287	0.8
507.35367	27.0
508.36078	2.3
549.36530	1.2
565.82227	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	13.6
61.98829	0.9
64.38199	0.6
70.90499	0.7
70.90826	1.2
71.01387	2.4
73.02947	1.1
77.20920	0.6
87.00893	0.6
89.02460	1.8
101.02447	2.3
105.03212	0.5
113.02468	1.6
120.42021	0.5
161.04509	1.4
179.78168	0.6
215.69650	0.5
235.08226	2.1
253.09299	11.7
253.21721	100.0
254.22107	4.4
417.81290	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02928	0.3
55.01870	0.8
57.03442	2.3
58.00574	0.4
59.01377	100.0
60.01714	1.0
61.98825	4.9
66.73542	0.4
67.01923	0.3
69.03460	0.8
69.45583	0.9
69.45995	1.6
71.01380	11.7
72.99311	0.5
73.02944	4.3
73.19779	0.3
83.01396	2.8
85.02952	6.7
87.00900	1.3
89.02446	2.6
95.01392	1.3
97.02968	0.6
98.20679	0.4
99.00890	1.0
99.04528	0.8
101.02439	7.1
113.02447	8.2
119.03492	0.9
124.01648	0.5
125.02457	1.5
129.01936	0.4
133.01367	0.4
143.03522	1.2
157.12424	0.4
159.03003	0.3
159.04477	0.4
161.04532	2.4
171.14012	0.4
180.89352	0.4
202.06454	0.5
215.07207	0.8
217.09125	0.4
229.08755	1.0
230.09528	0.6
243.06662	1.1
266.46811	0.4
299.23184	0.4
299.25870	2.0
300.02771	1.2
301.03180	0.5
321.08737	0.5
322.09283	0.9
327.25403	0.5
340.10440	0.5
343.28802	0.5
345.26358	0.6
345.30032	8.4
345.33905	0.7
346.30661	0.5
459.33563	0.7
487.32877	0.4
489.34323	35.0
490.34656	2.6
505.10004	0.8
507.35507	11.7
508.35925	1.2
517.14429	1.9
549.32880	5.9
550.32941	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07973	9.7
59.01362	34.5
61.98833	63.7
69.25228	100.0
109.67524	13.0
121.02940	24.6
209.65649	9.9
268.29651	10.4
300.02771	12.9
322.74356	10.2
338.63083	9.8
346.82596	10.0
382.15744	10.3
406.69830	10.4
431.18793	12.0
549.20630	11.3
549.35461	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	549.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99504	0.1
57.03455	0.8
59.01375	2.9
71.01371	1.0
71.50332	0.2
73.02946	0.5
75.39488	0.2
78.95904	0.9
79.95735	2.8
85.02934	0.3
89.02439	0.5
96.96007	100.0
99.04526	0.6
100.04853	0.3
101.02427	0.8
113.02493	0.2
116.92888	0.2
119.03519	0.2
125.02438	0.4
135.04538	0.2
141.09204	0.2
161.02478	0.2
161.04510	0.3
163.11172	0.2
165.09189	0.3
182.82129	0.2
205.12411	0.2
223.13388	0.3
224.13705	0.2
232.64990	0.2
244.02866	0.2
337.82156	0.2
343.70355	0.2
345.21820	0.2
386.37350	0.2
489.26675	0.3
507.28119	0.2
549.30035	0.8
576.75299	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84380	0.4
57.03436	1.7
59.01377	14.8
60.01699	0.4
61.98830	3.4
71.01374	2.9
71.50738	0.3
72.99335	0.4
73.02931	0.6
78.90704	0.4
81.03433	0.4
81.40208	0.4
85.02940	1.1
85.50082	0.3
89.02462	0.9
89.03973	1.8
91.32674	0.3
96.96047	0.6
99.04527	1.3
101.02421	2.3
105.03468	3.3
107.01373	0.5
108.02174	0.5
113.02470	2.0
123.04519	0.5
125.02425	2.2
130.04262	1.1
133.02065	0.7
133.02960	8.1
135.00908	0.7
149.02449	0.9
151.00443	0.5
152.01126	0.6
153.55051	0.4
155.10767	0.9
159.04514	5.1
160.04836	1.5
161.04912	0.8
161.06096	1.7
176.01112	1.0
177.01926	100.0
178.02257	2.4
183.13922	0.7
187.03978	0.4
199.09746	0.7
200.10036	0.6
203.03482	2.0
204.03859	1.5
205.05028	1.5
239.36954	0.5
243.06551	1.3
271.02469	0.6
274.88324	0.4
300.02847	0.9
301.03479	0.5
339.07187	6.0
345.30142	1.2
387.10876	0.6
448.97867	0.5
488.33255	0.8
489.34308	3.9
505.09961	0.7
507.35379	1.9
517.30121	0.9
549.19775	9.5
550.20032	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	4.6
57.03448	83.5
59.01379	71.2
61.98838	2.0
64.50850	1.5
65.63925	1.3
69.03455	73.9
69.48568	9.1
70.03751	2.6
71.01380	31.8
72.99300	3.0
73.02962	6.7
79.01881	5.5
81.03446	3.3
83.01399	3.3
83.31481	1.5
85.02934	11.4
86.29492	1.2
87.00884	2.1
89.02437	12.8
90.70835	1.4
95.01388	4.8
97.02953	18.1
99.00885	26.5
99.04517	100.0
101.02439	33.9
105.24255	1.4
109.02974	1.8
113.02451	15.3
115.00361	1.8
117.40808	1.6
119.03477	3.8
123.08185	2.7
125.02447	44.2
133.22707	1.3
135.04539	3.6
141.01955	6.8
143.03510	7.1
150.03246	1.8
151.07628	5.4
153.09244	2.4
159.04472	2.6
160.35817	1.5
161.04620	7.3
165.05566	2.5
167.03394	1.8
169.08727	1.4
179.05585	2.4
185.00911	54.0
189.12874	2.4
207.13843	7.8
225.05455	2.1
225.14908	6.2
241.14403	2.4
243.16005	26.6
315.12250	1.9
327.12369	3.3
364.09137	1.5
364.58478	2.0
387.15146	2.7
387.20209	55.5
388.20505	4.9
405.21307	33.9
447.22327	7.0
459.75745	1.6
487.25598	2.3
531.19464	1.5
549.25549	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.104
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74658	0.2
59.01377	0.7
61.98812	0.4
63.59368	0.2
64.83022	0.2
71.50852	0.2
77.03958	1.7
78.95914	0.3
85.19830	0.2
93.03443	0.6
110.29758	0.2
110.38183	0.2
121.02953	100.0
122.03298	1.8
137.02438	0.5
147.04462	0.5
165.01921	51.9
166.02209	1.3
180.05795	0.8
181.06592	2.7
197.06067	2.3
207.04443	0.9
207.08182	0.3
223.04094	0.4
225.05540	1.7
257.09628	0.6
270.49524	0.2
271.02429	0.2
300.02786	0.2
300.08179	0.2
300.12152	0.2
312.17679	0.2
313.07120	1.2
357.06042	0.7
383.07703	0.7
417.09717	2.2
448.13687	0.5
505.11392	1.4
549.10376	25.9
550.10815	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	549.1925
Annotation	Raocyclamide A
Peak:m/z	Relative Intensity
50.42768	2.8
61.98816	7.2
69.12235	9.4
69.12655	23.3
78.95905	91.6
99.92593	27.1
104.07702	2.7
110.98531	16.0
115.92068	39.9
116.92837	22.5
121.02953	8.3
141.28558	3.0
164.99614	4.1
165.01872	5.7
174.13887	2.9
178.88417	15.8
179.89215	43.1
180.89917	10.4
193.90773	46.0
194.91585	24.2
196.89471	51.2
218.31802	3.0
249.93149	3.1
266.93719	3.8
281.24747	9.3
342.99841	3.6
437.19943	6.8
531.18225	3.4
549.11072	5.2
549.19208	100.0
550.19702	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	549.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	31.2
68.04058	2.8
69.03436	2.8
69.30789	28.0
69.31142	4.8
71.01409	8.1
73.02946	6.7
75.04272	3.1
85.02934	3.4
89.25238	3.0
101.02447	7.9
102.59395	2.9
112.25074	3.3
113.02454	5.2
128.87036	2.9
147.04552	3.6
151.00378	10.4
178.99834	7.6
199.56786	3.3
227.03616	3.4
243.02968	10.2
255.02936	24.3
271.02444	44.7
300.02707	100.0
301.03400	41.5
354.57816	3.4
489.27182	5.8
505.09879	60.3
505.17209	3.4
506.09973	6.8
549.29266	36.6
550.29651	3.4
576.49829	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	548.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39202	1.3
55.82089	1.3
57.03440	2.2
59.01380	100.0
60.01708	4.8
61.98831	99.2
71.01383	18.0
71.27911	2.7
71.28275	1.3
72.01717	1.5
73.02960	6.3
83.01420	3.0
85.02939	6.5
87.00888	3.2
89.02445	6.2
95.01379	1.8
101.02440	9.7
102.02795	1.9
113.02456	8.7
119.03471	2.1
123.04520	1.6
133.01428	3.4
135.04530	2.0
159.02866	1.3
159.04575	1.3
161.04533	3.0
188.08052	1.4
201.01991	1.5
239.80167	1.3
300.02856	2.4
300.55231	1.3
304.62378	1.3
313.56189	1.3
335.12680	2.0
336.12970	2.4
343.28445	3.2
344.28760	4.6
368.28909	3.2
399.23825	2.0
441.24579	4.1
487.32840	4.6
488.33136	19.4
505.33478	3.0
506.34195	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	549.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12869	0.6
53.41691	0.7
59.01377	2.2
63.00053	0.7
63.02404	0.8
65.00320	1.2
70.69141	1.4
70.69517	1.5
74.47708	0.7
82.88646	0.7
83.01396	0.7
91.90722	0.7
100.91331	0.8
107.01398	3.4
108.02189	1.7
109.02951	2.1
121.02962	2.0
135.00870	2.0
148.01674	1.4
151.00374	11.0
163.00389	3.7
164.01147	1.2
178.99879	6.5
185.54013	0.7
192.00755	0.8
211.03970	2.0
216.04099	0.8
222.27530	0.7
226.02765	1.7
227.03531	3.4
243.03003	13.6
244.03299	1.3
254.02216	2.8
255.03015	31.0
256.03412	1.9
271.02481	66.0
272.03058	4.6
273.04047	2.0
283.02383	1.6
300.02753	100.0
301.03500	48.4
302.03824	3.0
343.04410	0.8
369.97858	0.7
444.35345	0.7
463.08771	4.1
505.09915	73.2
506.10229	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	548.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35146	0.4
57.03444	0.5
59.01377	51.1
61.98828	100.0
71.01387	3.6
73.02955	1.9
83.01402	0.8
84.83073	0.4
85.02954	1.8
89.02456	1.2
98.20697	0.8
101.02440	2.8
101.28999	0.4
105.15469	0.4
107.07974	0.5
108.09476	0.4
113.02445	2.0
119.78518	0.4
141.09415	0.5
161.04578	0.9
177.01920	0.7
192.92755	0.5
201.21146	0.4
215.86540	0.5
229.44933	0.6
399.23911	3.5
441.24881	3.0
488.33414	0.5
548.31268	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.9
57.03436	2.0
59.01379	88.0
60.01703	1.5
61.21523	0.9
61.98830	100.0
69.03462	1.4
70.72577	2.1
71.01392	11.3
73.02938	4.9
81.03455	0.8
81.05214	0.9
83.01365	1.7
85.02956	4.5
89.02438	2.6
95.01417	1.0
97.02961	0.8
99.00847	1.4
99.04501	1.4
101.02441	7.2
106.06631	1.1
113.02441	4.4
125.02399	1.2
132.21965	0.8
135.04485	1.3
141.34866	0.8
156.36224	1.0
160.04031	2.2
161.04469	2.2
176.04765	0.8
177.01920	1.4
178.02258	0.8
183.42561	0.8
203.03566	1.2
243.06662	1.2
252.09059	1.3
253.09760	1.4
277.09833	1.1
279.07776	1.7
295.10828	2.9
300.02661	1.0
321.08826	6.2
339.09818	5.9
345.30093	1.3
399.23801	3.3
441.25064	4.5
472.15076	2.0
488.33020	2.9
489.34375	11.4
498.13098	1.2
506.33972	1.4
507.35345	4.5
516.14001	9.8
517.14502	1.2
548.32153	4.3
549.19110	1.0
549.27832	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	548.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52408	0.5
59.01383	51.2
60.01704	1.2
61.98833	100.0
62.28538	0.5
67.73859	0.6
69.03448	0.6
69.21077	5.6
71.01387	6.4
73.02967	2.6
76.76585	0.6
82.81652	0.5
83.01393	1.5
85.02966	2.3
87.00883	0.9
89.02428	1.2
94.37926	0.6
98.19930	1.2
99.00850	0.7
99.04562	0.6
101.02448	4.2
113.02486	2.1
132.34914	0.6
135.04610	0.8
152.71855	0.5
159.04555	0.8
161.04599	1.8
167.03549	0.8
228.97267	0.6
378.01019	0.5
392.32996	0.6
399.23883	3.6
441.25058	2.4
489.30402	0.9
507.32346	0.7
548.30829	1.0
549.29749	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	548.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.5
55.41117	0.4
57.03448	0.7
59.01376	61.7
60.01711	1.6
61.98826	100.0
64.57970	0.4
69.03478	0.5
69.69711	2.7
71.01378	9.2
72.99314	1.3
73.02945	4.1
74.02478	2.2
75.00869	0.6
77.81122	0.5
78.41721	0.5
83.01400	1.4
85.02947	3.8
87.00887	1.1
89.02448	4.3
93.03478	0.8
95.01360	0.6
98.19907	0.9
99.00887	0.7
99.04559	0.6
101.02443	4.8
113.02443	4.2
115.00352	1.2
119.03522	1.2
119.05035	0.5
125.02444	0.9
130.04189	0.5
130.08766	0.6
131.03526	0.5
131.05054	0.9
133.01427	1.2
133.02937	2.6
135.04491	2.3
143.03487	0.5
147.04520	1.4
155.10805	0.7
159.04488	2.9
160.04823	1.1
161.04568	1.9
175.03996	22.2
177.01945	1.1
178.02254	0.6
179.03601	0.8
179.23573	0.6
191.05714	0.5
199.07829	0.9
201.01941	0.6
203.03505	1.9
204.03993	0.6
211.13490	0.6
237.18652	0.4
255.03102	0.7
271.02444	1.1
300.02649	1.3
301.03421	0.9
322.72729	0.5
337.09338	1.8
342.17950	0.6
343.24826	0.7
381.08301	1.7
399.23813	2.0
441.25021	3.1
486.27509	0.6
488.33386	2.4
504.28445	2.1
505.10056	1.0
506.34494	0.6
548.31689	8.5
549.32605	3.5
553.84955	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.5
55.41117	0.4
57.03448	0.7
59.01376	61.7
60.01711	1.6
61.98826	100.0
64.57970	0.4
69.03478	0.5
69.69711	2.7
71.01378	9.2
72.99314	1.3
73.02945	4.1
74.02478	2.2
75.00869	0.6
77.81122	0.5
78.41721	0.5
83.01400	1.4
85.02947	3.8
87.00887	1.1
89.02448	4.3
93.03478	0.8
95.01360	0.6
98.19907	0.9
99.00887	0.7
99.04559	0.6
101.02443	4.8
113.02443	4.2
115.00352	1.2
119.03522	1.2
119.05035	0.5
125.02444	0.9
130.04189	0.5
130.08766	0.6
131.03526	0.5
131.05054	0.9
133.01427	1.2
133.02937	2.6
135.04491	2.3
143.03487	0.5
147.04520	1.4
155.10805	0.7
159.04488	2.9
160.04823	1.1
161.04568	1.9
175.03996	22.2
177.01945	1.1
178.02254	0.6
179.03601	0.8
179.23573	0.6
191.05714	0.5
199.07829	0.9
201.01941	0.6
203.03505	1.9
204.03993	0.6
211.13490	0.6
237.18652	0.4
255.03102	0.7
271.02444	1.1
300.02649	1.3
301.03421	0.9
322.72729	0.5
337.09338	1.8
342.17950	0.6
343.24826	0.7
381.08301	1.7
399.23813	2.0
441.25021	3.1
486.27509	0.6
488.33386	2.4
504.28445	2.1
505.10056	1.0
506.34494	0.6
548.31689	8.5
549.32605	3.5
553.84955	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.9
57.03448	1.3
59.01384	100.0
60.01702	0.5
61.51860	0.6
61.98838	5.7
69.03449	0.7
69.90977	2.7
71.01389	15.6
71.05013	0.8
72.99327	0.9
73.02950	4.7
73.91111	0.5
83.01389	4.4
85.02959	8.9
87.00891	1.3
87.04516	0.7
89.02439	2.7
95.01405	1.7
96.95984	0.5
97.02985	0.6
98.19935	0.6
99.00906	2.1
99.93560	0.5
101.02450	11.8
111.00902	1.6
113.02451	7.0
115.04088	0.5
119.03556	1.0
121.10225	2.8
124.01717	0.6
125.02489	1.8
130.04288	1.6
135.04582	0.7
143.03537	1.1
149.13371	0.6
155.10808	1.1
157.12439	1.0
159.03072	1.5
159.04564	7.2
161.04564	5.0
168.78319	0.4
169.02043	0.5
185.15521	2.0
199.09904	1.5
201.01941	0.7
203.03500	4.7
217.01576	0.6
241.11043	0.5
288.83435	0.5
325.27640	1.3
329.19830	1.9
343.28543	3.0
347.20636	4.4
372.41528	0.5
457.31631	0.6
469.31891	0.9
487.32800	34.3
488.33319	3.4
505.33911	17.6
506.34714	1.6
530.75824	0.6
547.18457	1.0
547.33997	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.5
57.03448	84.6
57.36371	1.6
57.56157	2.0
59.01376	84.2
61.34673	1.7
67.01897	1.8
69.03445	4.0
69.77692	1.5
70.49239	3.7
70.49608	3.6
71.01379	35.2
71.74720	1.7
72.99281	2.2
73.02943	14.4
74.03311	1.7
80.89595	1.7
81.03440	2.3
83.01380	5.8
85.02928	9.6
85.06632	2.1
87.00883	3.3
89.02441	13.8
93.03437	2.1
95.01416	2.6
95.05022	1.9
97.02926	2.2
98.03730	2.6
98.20576	1.8
99.00858	2.9
99.04514	100.0
100.04827	2.0
101.01800	3.0
101.02439	45.1
101.06110	1.8
109.02956	9.0
109.06600	2.9
113.02450	15.3
113.06099	2.3
114.24477	1.7
115.00346	3.8
115.77578	1.6
119.03475	7.8
120.01261	2.7
121.02966	5.9
123.04496	4.5
123.08114	2.7
125.02440	47.7
133.02899	1.7
135.04526	18.0
136.04988	2.8
137.06088	15.4
141.09251	9.5
143.03467	7.6
147.04510	2.0
149.04596	2.2
149.05995	1.9
150.06903	8.9
153.09200	2.2
159.04485	15.0
160.04820	2.2
161.04517	15.5
163.03961	4.9
165.09187	35.1
173.06004	3.6
174.06740	1.5
175.02480	2.8
175.07674	2.7
179.03528	10.8
179.05611	5.9
181.05058	9.4
185.00816	3.4
187.11270	3.4
190.09950	1.8
201.05643	1.8
203.05508	2.2
205.12299	23.3
206.74815	1.8
223.11348	3.3
223.13373	36.0
241.14574	1.8
253.04977	2.1
253.08704	3.3
267.06491	3.0
268.07336	4.8
269.08087	9.3
279.10156	2.1
280.07373	3.2
281.08191	13.9
282.08722	5.3
295.09753	10.1
296.10074	8.6
297.10980	16.1
300.63895	1.6
308.06653	3.6
315.05133	8.4
323.09128	11.5
341.10245	34.4
367.17493	5.9
381.49933	2.0
385.09338	10.8
385.14102	1.9
385.18552	13.4
403.19727	21.1
445.20740	9.4
472.92090	1.8
503.15652	6.9
503.23947	2.3
547.14423	42.1
547.23895	16.7
548.15100	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	547.239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.9
57.03446	84.2
59.01377	69.7
60.01698	1.9
67.01877	3.8
69.03455	86.2
71.01378	27.9
71.49760	2.5
72.99332	3.1
73.02936	15.5
79.01886	5.2
81.03446	3.7
83.01364	5.3
83.05022	2.1
85.02940	13.3
87.00858	5.6
87.04520	3.6
89.02447	11.3
91.49905	1.7
93.03454	29.0
95.01371	5.0
95.05018	6.0
96.96011	2.0
97.02958	20.2
98.03749	4.2
99.00880	26.2
99.04516	100.0
101.02435	33.7
101.06087	22.6
109.02939	5.5
109.06586	21.0
111.04524	4.2
113.02463	13.8
113.06092	18.4
113.09347	1.6
115.00365	6.1
119.03500	5.3
121.02956	2.6
122.03719	5.4
123.00843	2.5
123.04533	3.9
125.02442	55.1
127.07646	31.4
127.73834	2.0
129.01886	3.7
133.01349	2.3
133.98245	1.8
135.04527	7.7
137.09700	3.1
141.01932	10.3
143.03468	5.7
149.04601	2.6
150.06885	2.3
155.10774	15.4
157.25688	1.9
161.04518	14.6
165.09200	41.0
173.04544	18.8
175.02460	3.8
179.05611	6.0
185.00912	71.8
186.01166	2.6
191.05634	28.0
199.09740	24.4
203.05627	2.0
205.12285	8.1
223.13365	34.4
225.05536	5.2
226.06253	3.1
241.14395	11.0
242.05774	3.0
243.04478	2.3
243.06589	13.9
258.05585	2.0
271.06281	2.4
294.08890	3.2
295.09598	2.8
296.09641	2.4
303.07196	13.6
310.08307	3.1
315.05121	34.1
316.05389	2.4
325.10797	11.5
325.20367	2.4
333.17166	2.0
355.08267	2.1
361.14911	7.1
367.17496	4.0
385.11221	3.1
385.18796	5.9
403.19614	6.3
431.05612	3.0
445.20737	5.3
503.24527	2.1
547.14856	30.0
547.24646	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	547.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.6
59.01377	27.7
60.99312	17.9
61.98825	3.6
67.13226	1.0
70.31068	3.5
71.01389	6.3
73.02959	6.5
75.84320	1.1
77.02888	1.2
78.90639	1.2
85.02947	4.0
88.98804	100.0
89.02432	3.7
90.78806	1.1
91.70610	1.0
95.66566	1.0
98.20567	1.3
99.00870	1.5
101.02463	4.1
105.05125	1.1
109.02930	1.5
113.02451	3.4
125.02451	3.4
135.04532	1.7
136.01665	2.9
155.10751	3.6
161.04529	2.8
179.03470	1.2
185.43385	1.2
325.19849	1.7
339.00793	1.1
343.11694	2.4
487.25266	2.9
503.24725	1.3
505.25964	2.0
547.14337	2.9
547.27521	19.3
548.27734	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.4
57.03452	100.0
59.01384	81.2
64.53883	1.7
67.26805	1.4
69.03453	4.2
71.01384	37.7
71.50416	3.0
73.02955	23.9
75.00890	2.2
81.03473	4.1
83.01392	7.7
85.02959	14.2
87.00876	5.7
87.77806	1.6
89.02458	12.4
94.98094	16.5
95.01371	1.9
97.02953	2.2
98.03763	9.0
99.00883	5.4
99.04528	79.7
101.02451	48.0
109.06605	6.1
113.02468	20.2
113.06106	3.3
115.00343	1.6
119.03515	4.7
123.04521	3.4
123.08215	7.4
125.02466	43.2
125.09696	1.9
127.07589	2.7
131.03525	2.0
136.05278	3.5
141.09233	16.7
143.03510	8.0
149.04572	1.6
150.06848	16.2
151.07567	1.9
153.09218	3.4
159.02972	4.1
161.04559	41.3
163.11273	6.4
165.09216	67.9
175.07680	3.0
178.46320	1.5
179.05614	2.5
181.12413	2.3
185.00888	1.9
187.11264	5.0
190.10002	2.9
195.59938	1.5
203.05585	4.5
205.12320	35.8
206.12706	2.0
223.13400	90.2
224.13716	5.4
241.14488	3.6
306.07449	2.0
315.04962	4.6
331.04184	1.6
367.17590	4.3
385.18671	9.2
386.14926	1.6
388.96774	1.6
403.19751	12.9
427.20016	2.0
445.20898	2.6
547.23615	31.8
548.24243	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60373	0.2
59.01392	1.6
61.98825	0.9
63.86992	0.2
70.99102	0.3
70.99429	0.4
71.01387	0.5
73.02935	0.4
75.13589	0.2
85.02936	0.4
87.04520	0.7
97.02947	0.4
101.02436	0.4
102.04741	0.4
103.05537	2.4
129.39874	0.3
129.45317	0.3
130.04250	11.6
131.04977	1.1
137.09749	1.2
149.06084	5.0
150.06461	0.3
155.10788	5.4
159.04518	100.0
160.04843	2.9
169.12337	0.3
179.10748	0.3
192.02740	0.3
199.09761	5.0
203.03506	48.6
204.03793	1.9
216.42470	0.2
241.10847	1.5
283.11877	1.0
343.13943	1.0
491.31995	0.3
547.18262	3.0
547.31116	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1097
Annotation	Luteolin 4'-methyl ether 7-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
51.08193	0.5
59.01384	12.5
61.98832	3.6
65.00017	0.8
65.00332	10.7
69.97649	1.2
69.97990	2.7
71.01373	3.0
73.02953	1.2
83.60607	0.6
83.81350	0.8
85.02959	0.8
88.98788	0.7
89.00330	1.8
89.02450	1.1
90.93753	0.6
91.01885	2.2
97.02953	8.8
101.02446	1.7
104.79365	0.7
121.02980	3.0
125.02436	0.7
133.02956	2.9
135.04507	2.1
149.99585	3.7
160.05498	0.6
165.01936	35.6
166.02226	1.1
177.01869	0.8
201.02039	1.1
202.52754	0.6
212.04747	1.8
214.02664	1.3
229.05070	2.4
240.04291	1.9
255.06653	1.0
256.03824	1.0
271.06158	1.8
283.02640	3.1
283.05487	0.7
284.03339	4.4
299.05624	100.0
300.05927	4.8
486.31583	1.3
544.45532	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90451	0.4
57.03439	0.4
59.01381	6.5
62.32275	0.3
65.00321	0.5
70.59820	0.3
70.60149	0.8
71.01378	1.2
73.02907	0.4
73.88226	0.3
85.02954	1.1
87.00880	0.4
87.04515	3.7
93.25184	0.3
97.02962	0.9
98.19950	0.3
101.02449	1.2
102.04763	1.2
103.03047	0.4
103.05537	4.6
113.02462	1.1
121.06590	0.4
125.02467	0.7
125.06099	0.4
130.04243	20.2
131.05106	2.3
135.08127	0.4
137.09735	2.5
139.07674	0.6
149.06090	8.0
151.11281	0.4
155.09726	0.4
155.10777	14.9
159.04510	100.0
160.04855	3.7
167.02721	0.4
167.10866	0.4
169.12326	0.9
179.10748	1.1
181.08685	1.2
182.48946	0.4
191.10739	1.3
193.12325	0.6
195.10245	1.3
199.09749	19.8
200.10130	0.7
203.03497	72.6
204.03833	3.4
212.49718	0.3
213.11249	0.8
223.09828	0.6
241.10815	6.6
242.11212	0.5
253.10828	2.1
255.12485	0.8
278.64941	0.4
283.11835	10.9
284.12274	0.8
325.13132	0.4
343.13943	8.8
344.14407	0.4
487.32791	0.9
505.34082	0.4
547.18213	8.4
547.31519	0.9
548.18359	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69217	0.2
56.35696	0.2
57.03463	0.5
57.07076	0.2
59.01384	53.1
60.01714	0.5
61.98833	100.0
69.18353	1.7
69.18777	0.7
71.01380	4.2
73.02955	1.8
80.11977	0.2
83.01415	0.6
85.02953	1.7
87.00900	0.4
89.02437	0.9
99.00880	0.7
101.02455	3.3
113.02443	2.2
119.03513	0.3
121.86131	0.2
132.09955	0.3
133.02959	0.5
135.04498	0.3
155.27942	0.3
159.03079	0.4
159.04430	0.9
161.04572	2.2
163.74422	0.2
177.01933	7.7
203.03384	0.5
215.39641	0.2
234.90211	0.3
246.43091	0.2
263.04922	0.2
379.20908	0.6
397.22327	3.1
437.29013	0.3
438.20911	0.3
439.23419	4.3
485.30664	0.3
486.30884	1.0
487.31973	0.4
504.31723	0.5
533.56689	0.3
547.17578	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.9
59.01377	72.2
59.55063	0.8
60.01694	1.9
61.98829	100.0
62.09215	0.8
69.03452	0.8
71.01386	14.0
71.50190	0.7
71.50562	1.0
72.01728	0.9
72.99319	1.1
73.02943	4.4
83.01398	1.6
85.02957	5.4
87.04520	1.1
87.78540	0.9
88.34293	0.8
89.02436	4.5
97.02928	1.9
99.00838	1.8
99.04533	1.1
101.02446	9.4
101.03634	0.8
106.86869	0.7
109.03041	0.8
109.98047	0.8
113.02443	6.3
115.00362	1.1
119.03518	1.4
125.02413	1.2
133.01405	1.5
133.02916	0.9
135.04520	1.7
143.03473	1.4
159.04398	1.1
161.02423	0.9
161.04550	3.5
171.10306	1.1
174.53467	0.8
179.03423	1.2
179.05458	1.0
191.05656	0.9
191.07458	0.7
211.13342	1.1
235.17038	1.4
241.01221	0.8
253.09271	3.2
254.09590	2.2
291.19748	4.1
292.19980	3.5
309.20654	7.0
310.21085	8.7
343.28519	1.0
397.22168	2.5
433.26767	0.8
439.23190	2.8
444.13159	0.9
486.31479	1.6
487.32910	5.2
505.33719	3.1
542.61835	1.1
545.32367	3.8
546.16809	1.0
546.32635	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	546.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.6
57.03444	0.9
58.00570	0.4
59.01383	97.1
60.01725	2.3
61.98834	100.0
69.03461	0.8
69.53713	2.6
71.01387	10.6
72.01719	0.8
73.02945	4.4
83.01389	2.0
85.02966	4.8
86.03306	0.5
87.00887	0.6
89.02452	3.0
91.21291	0.6
95.01409	1.0
96.06208	0.4
97.02959	0.6
98.19910	1.0
99.00900	1.4
101.02448	7.9
111.13091	0.5
113.02450	5.8
114.02792	0.8
119.03484	1.2
125.02435	0.8
135.04520	0.5
141.01868	0.7
143.03456	1.1
151.85974	0.5
159.02931	0.7
161.04613	3.1
175.03947	0.8
177.01819	1.1
178.02167	0.6
179.05507	0.5
324.25974	0.5
360.28012	0.7
379.21420	0.8
385.44821	0.5
397.22287	5.6
398.22433	0.5
401.24567	0.5
410.11169	0.5
439.23367	6.6
468.30276	1.0
485.31265	3.6
486.31525	6.3
503.31708	1.5
504.32645	3.0
533.46014	0.5
546.29785	0.7
557.72754	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53786	0.3
55.01875	0.5
57.03447	1.2
58.00586	1.8
59.01376	100.0
60.01708	1.4
61.01816	0.6
61.98827	2.7
64.57528	0.3
69.03474	0.4
70.11866	1.2
71.01377	30.9
71.05042	0.3
72.01707	0.4
72.99300	1.9
73.01832	0.3
73.02941	8.0
81.03454	0.4
83.01383	2.9
85.02945	7.5
85.06626	0.4
87.00877	2.0
89.02439	30.3
90.02776	0.4
91.27557	0.3
95.01381	2.8
97.02957	0.4
99.00882	1.0
99.04527	0.8
101.02435	18.3
102.02789	0.6
111.16348	0.4
113.02441	18.4
115.00325	0.4
119.03497	12.9
125.02444	0.7
131.03526	1.8
131.04347	0.3
135.04536	1.0
143.03496	3.4
149.04562	1.4
155.10768	1.0
159.03049	0.6
161.04538	7.6
177.01900	0.6
179.05603	5.8
339.16074	0.4
381.74194	0.3
383.28290	0.4
485.31192	5.5
503.25314	0.5
503.32230	4.5
504.32489	0.5
545.17285	0.5
545.25336	2.6
545.33350	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	6.1
58.00585	1.3
59.01378	36.6
59.43105	0.7
61.98817	3.3
69.03451	2.6
71.01013	1.2
71.01379	14.9
71.04988	0.7
71.51409	1.0
72.99303	1.2
73.02943	3.6
75.67553	0.6
80.36646	0.6
83.01387	2.1
85.02940	5.0
87.00873	2.1
89.02437	10.4
95.01409	1.4
95.05037	0.7
96.34916	0.7
97.02937	7.9
97.06537	0.9
99.00887	1.2
99.04509	3.1
101.02442	13.3
106.02277	0.8
111.08159	7.6
113.02451	6.2
119.03512	2.7
119.04997	0.8
125.02435	2.4
125.09745	1.2
136.76315	0.8
137.09698	1.7
143.03600	1.2
154.81725	0.7
161.04524	5.0
163.11284	3.0
165.12798	4.5
169.12343	2.7
171.10254	4.4
179.05603	2.4
181.12389	1.1
183.13939	1.3
193.12242	1.0
193.15990	0.9
197.11824	34.8
198.12238	1.0
199.13388	1.9
209.11827	2.8
211.13380	4.3
223.13335	1.3
225.14864	1.1
227.11018	0.7
227.12842	4.1
247.20699	3.4
253.09264	41.3
254.09566	1.5
255.77489	0.8
263.20084	1.6
265.18063	0.9
273.18646	1.9
291.19650	45.1
292.20026	2.3
309.20697	100.0
310.21094	5.1
323.25830	1.2
325.27457	1.4
341.23373	1.7
341.27023	2.3
433.20609	0.8
437.34097	0.8
485.31091	2.4
503.32312	2.5
545.33801	13.2
546.32416	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58932	0.5
52.43169	0.5
55.01870	4.4
57.03447	1.9
59.01378	44.1
60.01716	0.5
61.98832	5.8
67.01881	1.1
69.03452	98.9
70.03794	1.3
71.01379	13.3
71.50883	0.9
72.99296	2.8
73.02946	4.4
79.01888	3.9
81.03487	0.7
83.01391	2.2
85.02940	5.8
87.00888	1.3
88.98814	1.2
89.02431	5.4
95.01386	3.9
96.95991	0.6
97.02950	21.4
99.00876	27.6
99.04511	0.9
101.02442	7.1
102.02759	0.5
111.00854	0.7
113.02450	9.3
119.03482	2.2
120.65329	0.7
121.02987	0.7
123.00896	1.9
125.02461	1.5
134.07425	0.5
137.09705	0.8
141.01935	7.3
142.94405	0.6
143.03445	1.1
159.03210	0.7
159.04529	2.0
161.04568	2.9
165.01959	0.6
179.03511	0.7
179.05536	1.0
185.00903	100.0
186.01237	1.7
199.88661	0.6
203.03452	1.8
217.23349	0.6
266.94238	0.6
313.23636	1.4
323.25800	0.8
328.13455	0.7
341.26968	1.5
359.27939	7.6
369.83124	0.7
485.30997	7.1
503.32150	4.5
545.29395	20.5
546.29749	1.7
570.85730	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	65.7
58.75649	1.8
59.01378	100.0
60.01722	2.5
61.98832	12.6
71.01381	16.4
71.50498	2.9
73.02947	6.6
81.03465	2.7
82.90516	1.7
83.01381	4.0
85.02948	5.5
87.00877	1.9
89.02417	9.0
93.70780	2.2
93.82660	1.7
97.91212	1.7
99.04520	61.2
99.20479	1.8
101.02445	24.5
111.08160	4.5
113.02454	10.0
119.03481	2.1
125.02430	23.0
135.04483	2.3
137.09607	2.4
143.03545	2.4
161.04575	4.7
167.03520	4.2
171.10280	5.9
171.65555	1.9
185.11670	2.4
197.11809	20.0
209.15417	5.1
211.13358	3.8
223.16927	2.1
251.16473	2.0
253.09305	18.5
291.19791	11.0
297.24481	2.7
309.20663	45.1
310.20959	3.4
318.33472	2.0
323.25824	2.3
341.13708	2.4
341.23193	4.7
341.26913	2.5
485.31354	3.9
503.32248	5.4
545.33789	9.8
546.33746	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	545.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51513	0.3
55.01878	1.1
56.58888	0.3
57.03455	2.3
58.00581	2.2
59.01378	100.0
60.01716	0.8
61.98825	0.8
69.03453	2.6
71.01379	39.2
71.50318	0.4
72.01714	0.5
72.99311	1.8
73.02944	52.7
74.03318	0.4
75.00873	1.3
81.03451	1.0
83.01385	14.8
83.05014	0.4
84.01704	0.4
85.02946	6.9
87.00895	1.1
89.02445	11.8
90.20155	0.3
93.03461	1.2
95.01391	1.5
96.96010	5.0
97.02955	1.4
99.00877	1.1
99.04522	1.5
101.02441	49.4
102.02799	0.7
107.05034	0.4
109.02951	2.7
113.02449	19.2
115.00375	2.8
116.92881	0.6
118.80424	0.4
119.03497	6.1
121.02954	9.4
122.03754	0.7
123.04530	2.4
125.02441	2.6
130.04210	2.4
131.03493	5.0
133.01414	0.5
133.02953	5.6
134.03732	0.9
135.04523	24.7
136.04880	0.6
137.09666	0.4
143.03516	5.2
144.05833	0.5
147.02995	0.5
147.04521	0.8
148.05289	1.5
149.04541	8.2
149.06059	7.7
151.03996	0.5
155.03477	2.1
159.04492	1.4
161.04543	17.2
161.06061	7.1
163.07631	0.8
173.06064	16.0
173.07585	0.8
175.14871	1.3
177.01927	0.9
179.03491	17.7
179.05321	0.5
179.05719	0.8
180.03889	0.5
185.00949	0.5
187.03981	1.1
191.05614	3.5
203.03601	0.7
203.05586	1.8
203.14412	0.5
205.05040	3.0
221.06638	3.8
233.06125	0.4
233.15446	10.9
234.15797	0.5
245.15414	0.9
249.09055	0.4
261.05545	0.9
262.06345	1.4
265.05029	1.2
266.05844	2.1
267.06616	4.2
275.24677	0.3
277.08578	2.8
281.02133	0.4
287.16449	1.8
295.09735	26.1
296.10049	1.6
303.06656	0.4
304.07260	0.5
309.45511	0.4
321.04266	0.6
321.07629	3.1
323.18475	1.0
339.05106	0.6
339.08691	6.8
365.06628	4.8
366.06818	0.5
383.07687	7.5
384.07773	0.6
395.20309	0.6
403.80414	0.4
413.21973	0.4
425.21558	0.4
455.22830	2.5
501.13715	1.2
545.12689	14.6
545.25879	6.4
546.13019	1.3
546.26227	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	6.2
71.01392	3.9
71.08495	2.8
73.02967	1.4
80.09792	1.5
85.02930	1.7
87.72877	1.4
91.05520	9.0
93.03467	2.3
101.02505	2.3
102.08991	1.5
104.19586	1.4
108.02176	31.8
109.02935	4.6
115.00394	2.2
121.02947	6.9
122.03757	1.9
122.06116	1.6
123.04534	14.7
133.02943	1.8
134.03702	3.2
135.04524	84.9
136.04836	2.9
145.02924	6.2
146.03726	2.7
146.06171	1.7
147.04523	12.7
149.06065	1.9
152.01147	65.6
159.04520	39.8
161.02431	17.8
167.03490	99.3
173.06068	15.6
174.03133	2.7
179.03455	8.2
185.06120	1.6
213.20665	1.7
223.07658	1.8
225.09262	2.9
250.06262	2.9
251.07059	6.5
253.08549	1.6
263.07037	1.7
265.04965	3.1
266.06024	2.2
267.06573	2.7
267.10352	1.9
277.08673	6.8
279.06506	8.5
280.07401	20.2
293.08096	5.8
294.08954	11.7
295.09747	100.0
296.10092	6.6
303.06644	4.3
306.05368	6.7
316.43115	1.6
321.07651	72.2
322.08130	2.8
339.08508	8.7
365.06613	2.6
383.07700	31.5
457.15039	1.8
465.17059	2.7
483.18130	2.0
545.13000	33.9
546.13123	2.9
553.08771	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	545.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15471	0.8
59.01363	2.7
61.98827	4.8
64.23331	1.0
70.05945	3.3
71.01377	2.5
78.95901	100.0
99.92586	25.8
100.92618	1.0
100.93334	1.3
110.98523	13.8
115.92070	29.4
116.92101	1.1
116.92850	19.1
126.47559	0.9
150.98013	1.2
151.01675	2.3
155.95168	3.2
164.99562	2.8
167.01143	8.5
178.88426	19.1
179.89224	44.2
180.90033	12.3
181.90759	3.1
193.90761	46.0
194.87897	2.5
194.91560	24.7
195.92323	1.3
196.89473	57.6
197.89532	1.5
207.92279	1.0
235.91789	1.8
236.92526	2.1
245.64784	0.8
248.92569	3.4
249.93414	4.3
250.94112	5.4
251.95058	1.0
266.93689	3.9
275.20422	1.2
277.21674	6.3
377.14523	1.1
432.06177	1.3
433.16745	4.4
453.08362	1.1
458.08032	2.4
483.35095	0.9
497.13690	2.5
499.34235	1.1
527.15125	22.6
528.15167	1.6
541.13104	9.3
544.33661	1.2
545.16083	53.4
545.34161	7.6
546.16296	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	545.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13617	0.1
57.03447	0.4
58.01060	0.1
58.76168	0.1
59.01377	3.3
59.01656	0.3
61.98815	0.3
70.53284	0.5
71.01378	1.0
71.03572	0.2
73.02949	0.5
73.82672	0.1
81.03453	0.6
85.02956	0.5
88.98802	0.6
89.02449	0.4
89.03970	2.7
93.03444	0.2
95.05030	0.2
99.04510	0.3
101.02447	0.7
104.02702	0.6
105.03459	4.3
107.04991	0.3
113.02444	0.6
117.03464	0.4
121.02930	0.7
133.02957	10.2
134.03777	1.6
135.04523	39.2
136.04848	1.0
147.04576	0.2
148.01668	0.5
149.02446	2.7
159.04536	0.8
161.04492	0.3
164.04767	1.3
175.00270	0.2
175.87825	0.2
176.01154	1.1
177.01923	100.0
178.02267	3.3
179.03488	35.1
180.03819	1.2
190.02669	0.4
191.05592	0.2
203.03452	0.7
212.15024	0.2
223.06090	1.1
253.23174	0.2
260.12701	0.2
321.06119	0.2
339.07187	5.0
349.67548	0.2
351.43918	0.1
545.12915	6.7
545.25525	1.1
546.13208	0.7
548.77222	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74034	1.4
59.01379	2.5
66.34525	1.7
69.57932	9.6
71.01390	2.2
72.15765	1.7
72.22565	1.7
83.04118	1.7
91.05563	1.9
93.93704	1.4
96.96023	13.9
98.19868	2.9
108.02180	30.3
109.02942	1.6
115.00388	1.7
121.02951	3.8
121.80921	1.5
123.04543	12.7
135.04529	13.2
145.34904	1.6
147.04514	1.7
149.06036	3.9
152.01160	58.1
153.14505	1.5
159.04509	4.1
164.18567	1.6
167.03500	100.0
168.03781	2.2
173.06081	7.5
277.08853	2.1
280.07318	2.7
294.09045	1.9
295.09763	29.0
339.08759	4.8
374.81583	1.7
383.08112	1.9
503.58557	2.1
504.73300	2.2
545.12665	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	545.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.5
58.10044	0.7
59.01376	7.6
61.98820	2.2
69.15829	8.1
71.01396	4.6
73.02948	1.5
75.80725	0.8
81.37674	0.7
85.02950	1.4
89.02448	2.5
91.05532	6.2
93.03472	1.6
99.04530	1.6
101.02438	2.9
106.92824	0.8
108.02174	8.3
109.02956	6.0
113.02412	1.4
115.00371	2.9
121.02953	8.5
123.04530	4.6
125.02405	1.3
130.04248	1.6
133.01469	1.4
133.02939	2.6
134.03688	2.2
135.04521	65.0
136.04828	2.0
145.02982	4.2
146.03738	2.4
147.04527	8.3
148.05222	1.1
149.06084	5.3
152.01157	13.3
158.03699	1.1
159.04517	26.9
160.04805	1.0
161.02457	8.1
161.06097	1.2
167.02159	1.6
167.03494	21.7
172.05264	0.9
173.06075	17.8
174.03218	1.5
174.06390	1.1
179.03503	10.3
180.11827	0.8
185.06116	1.7
200.84485	0.8
221.11678	0.7
225.09161	1.5
227.28862	0.7
235.07698	1.3
249.09055	1.2
251.07103	3.8
253.08839	1.4
263.07034	1.5
266.05722	3.7
267.06598	1.8
273.07751	0.8
275.07230	1.1
277.05914	1.0
277.08569	5.1
279.06570	5.1
280.07422	12.0
281.07831	1.0
293.08203	5.4
294.08929	9.0
295.09729	100.0
296.10104	6.8
297.09952	1.3
303.06561	1.2
306.05353	3.7
321.07642	26.7
322.07983	2.2
338.07773	1.2
339.08743	10.8
339.12390	2.4
357.12122	3.7
383.07693	8.5
403.15829	0.9
457.14920	1.9
501.13733	1.9
545.13043	26.7
546.13324	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	543.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.6
57.03443	2.4
58.00606	0.8
59.01377	100.0
60.01706	0.7
61.98826	5.2
69.03469	0.6
69.18806	3.7
71.01379	23.2
72.99318	0.6
73.02943	9.4
81.03450	0.5
83.01386	2.8
83.05022	0.5
83.49590	0.4
85.02943	7.2
87.00880	1.5
87.04508	1.9
89.02442	14.8
95.01389	1.7
97.02925	0.6
98.19930	0.6
99.00899	1.2
99.04533	1.5
101.02437	15.7
103.04012	1.1
113.02441	17.0
115.00382	0.6
115.04023	0.4
119.03489	5.7
119.04233	0.5
125.02453	1.4
131.03526	1.1
143.03491	2.5
149.04601	1.1
155.10793	0.3
159.02934	0.4
161.04559	6.3
177.01843	1.6
179.05635	3.1
255.03062	0.4
262.67737	0.3
284.99127	0.3
321.03882	1.0
371.20529	0.4
401.21869	0.5
465.28683	0.9
479.31485	0.4
483.29672	5.9
501.30618	2.9
543.31506	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.5
58.10044	0.7
59.01376	7.6
61.98820	2.2
69.15829	8.1
71.01396	4.6
73.02948	1.5
75.80725	0.8
81.37674	0.7
85.02950	1.4
89.02448	2.5
91.05532	6.2
93.03472	1.6
99.04530	1.6
101.02438	2.9
106.92824	0.8
108.02174	8.3
109.02956	6.0
113.02412	1.4
115.00371	2.9
121.02953	8.5
123.04530	4.6
125.02405	1.3
130.04248	1.6
133.01469	1.4
133.02939	2.6
134.03688	2.2
135.04521	65.0
136.04828	2.0
145.02982	4.2
146.03738	2.4
147.04527	8.3
148.05222	1.1
149.06084	5.3
152.01157	13.3
158.03699	1.1
159.04517	26.9
160.04805	1.0
161.02457	8.1
161.06097	1.2
167.02159	1.6
167.03494	21.7
172.05264	0.9
173.06075	17.8
174.03218	1.5
174.06390	1.1
179.03503	10.3
180.11827	0.8
185.06116	1.7
200.84485	0.8
221.11678	0.7
225.09161	1.5
227.28862	0.7
235.07698	1.3
249.09055	1.2
251.07103	3.8
253.08839	1.4
263.07034	1.5
266.05722	3.7
267.06598	1.8
273.07751	0.8
275.07230	1.1
277.05914	1.0
277.08569	5.1
279.06570	5.1
280.07422	12.0
281.07831	1.0
293.08203	5.4
294.08929	9.0
295.09729	100.0
296.10104	6.8
297.09952	1.3
303.06561	1.2
306.05353	3.7
321.07642	26.7
322.07983	2.2
338.07773	1.2
339.08743	10.8
339.12390	2.4
357.12122	3.7
383.07693	8.5
403.15829	0.9
457.14920	1.9
501.13733	1.9
545.13043	26.7
546.13324	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	543.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.2
57.03445	40.1
57.16321	0.7
58.00603	0.6
59.01376	100.0
60.01682	0.8
60.22633	0.6
60.62925	0.6
61.54821	0.7
61.98837	3.9
64.37599	0.6
69.03453	15.3
69.63882	4.2
71.01380	16.9
72.99313	1.1
73.02953	5.3
81.03448	1.0
83.01364	3.5
83.25927	0.7
85.02962	6.1
86.02503	0.6
87.00873	1.7
89.02441	6.8
95.01395	1.2
97.02945	4.5
99.00879	10.3
99.04517	53.1
99.52311	0.7
101.02434	19.4
113.02441	8.9
119.03513	3.1
125.02441	18.5
125.06071	0.8
125.09747	1.8
141.01927	1.9
143.03481	3.6
149.04546	0.9
161.04581	4.6
163.11282	1.3
179.05611	1.2
181.12379	2.2
185.00899	13.6
194.76300	0.8
199.13454	2.0
207.10258	5.4
225.11331	8.7
243.12341	7.9
282.83954	0.7
317.15958	4.0
339.25381	1.0
357.26596	1.5
399.23688	4.0
441.25137	2.4
483.29599	5.7
484.30420	0.8
501.30817	3.5
543.27753	14.6
544.29028	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	543.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32156	1.1
57.03453	9.2
59.01384	100.0
60.01704	1.4
61.98828	2.8
69.03455	12.4
69.29739	12.3
71.01385	16.0
71.05003	4.6
73.02959	9.6
83.01377	3.0
83.05007	1.6
85.02930	5.3
87.00883	1.9
87.45832	1.4
89.02461	7.7
95.01373	2.8
95.42731	1.3
97.02943	8.1
97.06578	3.8
99.00298	2.0
99.00888	32.8
99.04528	10.1
101.02455	14.6
109.06576	2.9
110.03706	1.5
113.02467	12.9
119.03451	4.3
123.08126	2.3
124.01592	1.9
125.02402	4.2
125.09749	10.9
142.02640	1.7
155.14366	1.8
159.04546	2.5
161.04492	3.8
163.11313	11.8
166.28247	1.6
179.10760	1.4
181.12355	24.1
185.00934	12.5
197.11749	1.7
199.13400	13.1
200.13628	1.7
207.08398	2.9
207.10266	45.2
213.56386	1.5
225.11339	75.5
226.11583	3.0
243.12376	68.9
244.12575	2.5
316.65308	1.6
317.12775	2.4
317.16092	31.6
318.16388	2.5
377.70355	1.3
483.29291	5.7
501.30325	5.4
543.27942	81.1
544.28021	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	543.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.3
59.87426	1.3
87.04513	2.2
90.51528	1.3
91.60846	1.3
92.69530	1.3
94.06622	2.8
95.04995	2.3
97.02949	2.7
97.06590	2.3
97.30926	1.6
98.19831	2.4
106.06631	16.4
107.05027	5.2
108.04567	2.9
109.06585	1.7
121.05350	2.2
122.06119	24.4
125.06098	6.7
132.04556	5.6
134.05090	2.5
134.06113	49.0
134.07098	2.9
135.04512	3.6
141.05589	4.9
146.06122	1.6
155.70396	1.4
160.04028	19.4
161.04774	3.9
162.05606	100.0
163.05968	3.8
166.05061	7.6
174.05603	3.7
174.31325	1.3
184.06154	2.2
186.05583	3.2
186.09201	3.5
188.03516	20.1
188.07219	1.5
193.03787	3.7
198.05551	1.3
202.08685	3.7
202.12300	2.0
203.05829	3.9
204.06648	2.2
206.08202	2.7
212.07210	3.7
213.07895	1.6
214.08714	3.4
217.07393	1.6
226.08696	2.5
228.10239	2.4
230.08234	3.8
230.11858	9.1
231.08815	1.5
242.08243	2.5
242.11841	7.6
244.09756	2.0
244.13063	1.5
246.07704	2.7
252.10185	2.4
252.76782	1.5
254.08237	3.5
256.09647	2.6
258.07645	1.6
262.10818	4.3
268.09808	1.9
270.11325	3.6
272.09485	1.4
274.10864	10.0
286.10864	2.9
288.12439	4.2
292.11935	14.3
293.08124	1.6
295.10992	2.2
296.09305	4.9
313.12222	1.4
314.10294	6.2
318.09729	4.6
321.12469	2.1
330.09885	1.7
336.10861	12.8
337.11719	2.9
341.11349	6.0
349.12048	3.3
367.12976	14.9
389.14954	1.7
393.18323	1.7
395.16061	4.0
419.15991	4.6
437.17172	25.8
438.17627	2.0
439.15018	1.9
445.14264	2.6
455.18146	12.8
456.18420	1.9
463.15030	17.8
464.15756	1.7
481.16165	32.4
482.16486	2.6
499.17218	51.9
500.17398	4.9
535.76031	1.9
543.16187	22.1
544.16290	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	543.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73910	0.9
57.03449	4.8
59.01373	19.3
69.03429	1.0
70.98963	2.3
71.01385	6.1
73.02931	7.2
83.01417	1.4
84.95130	1.3
85.02946	2.8
89.02449	2.1
93.03445	2.6
99.04507	3.2
101.02435	6.7
113.02448	3.0
121.02924	1.6
122.03738	7.2
123.04531	1.7
125.02428	2.7
130.04250	1.4
130.08743	1.2
133.01358	1.6
135.04506	4.4
136.04871	1.2
143.93991	0.9
150.03212	92.5
151.03569	3.0
155.10754	2.6
157.44356	1.0
159.04491	1.6
159.62642	1.0
161.04478	2.2
165.05557	100.0
166.05902	3.0
199.09857	1.8
267.06613	1.2
337.10693	1.7
346.66528	1.2
363.08707	1.8
381.09686	3.5
525.19067	1.1
526.20673	0.8
543.15839	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	543.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94177	1.5
59.01371	8.2
60.55604	1.5
69.03458	2.4
71.01379	2.9
73.02933	1.8
80.05032	1.9
80.96494	1.5
81.03459	1.6
87.04513	3.3
95.05040	2.4
97.02925	2.3
97.06570	2.1
101.02408	2.3
106.06631	16.8
107.05032	6.1
108.04550	6.8
115.00376	1.7
116.92870	3.2
121.05389	2.1
122.06131	29.6
125.06122	9.0
132.04529	4.2
133.02919	1.7
134.06114	47.2
135.04559	2.0
137.73209	1.4
141.05544	4.5
147.04497	1.5
151.04031	1.8
151.78958	1.5
160.04018	20.6
161.04781	2.8
162.05603	100.0
163.05893	2.9
166.05130	10.6
171.58412	1.8
174.05586	5.7
186.05592	2.1
186.09407	1.7
188.03529	23.6
189.04065	2.6
190.05060	2.9
193.03751	3.6
200.07130	2.1
202.05002	2.5
202.08730	2.4
204.06595	3.1
206.08191	4.0
212.07155	3.8
212.10756	2.5
214.08719	4.1
215.09401	1.6
216.10175	2.1
226.05070	2.4
226.08731	3.3
228.10185	4.0
230.08195	2.2
230.11818	7.1
232.13524	1.8
240.06787	1.7
242.08261	2.4
242.11845	6.6
244.09804	2.2
246.07663	3.1
252.10448	2.0
254.08133	1.9
256.09634	1.8
262.10806	5.0
264.08859	2.7
270.11307	6.0
274.10834	6.3
286.10794	4.6
288.12509	3.8
292.11896	16.1
293.08377	3.8
296.09186	3.5
307.10788	2.8
314.10144	4.3
318.09869	3.1
330.09760	2.2
336.11014	12.6
337.11554	3.3
341.11453	5.6
349.12048	3.8
367.12991	13.8
368.70795	1.9
395.16089	5.1
419.15955	1.7
437.17105	23.7
439.15207	3.0
451.14758	1.6
455.18152	11.3
463.15048	18.4
481.16190	36.5
482.16287	4.4
499.17233	57.2
500.17487	6.1
525.15112	2.0
543.16187	26.6
544.17584	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	541.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75552	0.4
59.01369	1.2
60.99306	14.6
61.98827	0.5
69.15297	3.9
71.01371	1.1
76.72080	0.4
85.02956	0.4
88.00389	0.5
88.98805	100.0
89.02450	2.6
89.99170	0.8
96.96016	0.6
98.19852	0.8
113.02473	0.4
115.00381	0.5
115.92058	0.9
116.92849	0.9
126.83200	0.4
135.04541	1.1
135.53592	0.3
179.03465	0.5
188.03511	0.4
257.76123	0.4
299.10400	0.5
365.21021	0.5
453.17502	0.4
509.17624	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71666	1.4
59.01379	5.4
62.10961	1.2
69.03436	1.5
71.01379	2.5
73.02921	1.9
81.03477	1.5
85.03033	1.2
87.04514	2.3
94.06632	3.1
97.02979	2.6
97.06583	2.3
101.02450	1.6
106.06619	14.0
107.05049	5.4
108.04551	3.5
111.04519	1.3
113.02464	1.4
116.92870	3.5
118.43253	1.2
119.23971	1.1
121.05388	1.4
122.06122	21.9
122.06958	2.0
125.02413	2.1
125.06085	7.2
132.04549	5.2
133.02919	1.5
134.06120	46.2
135.04517	2.9
136.04005	1.3
139.07582	1.4
141.05556	3.4
141.22134	1.2
148.04007	1.9
148.35262	1.1
160.04019	13.3
161.04767	3.7
162.05600	100.0
163.05949	2.1
166.05092	8.0
167.11806	1.3
174.05623	2.3
174.09219	2.0
176.03351	1.2
184.06137	2.8
186.05565	3.3
186.09308	1.5
188.03526	19.6
188.07076	1.6
189.04189	1.6
193.03670	2.5
200.07191	1.6
201.07863	1.3
202.08736	2.4
203.05858	4.0
204.06671	4.0
206.08228	2.2
212.07135	2.7
212.10655	1.9
213.07939	1.9
214.08708	3.7
216.10338	1.5
226.05212	1.5
226.08720	2.2
228.10316	2.5
230.08247	2.9
230.11880	8.4
231.08951	2.1
242.08203	3.1
242.11922	8.7
244.32916	1.5
246.07658	3.4
252.10304	2.5
254.08266	2.2
256.09924	2.2
258.07538	1.8
258.11407	1.5
262.10791	4.5
264.08838	3.5
270.11392	5.2
272.08963	1.7
274.10861	10.5
286.10938	4.1
288.12378	3.4
292.11884	17.3
293.08197	3.5
294.09091	1.4
295.10944	2.1
296.09317	3.3
297.09189	1.6
311.10214	1.6
314.10162	2.8
318.09854	3.5
323.10379	2.7
330.09662	1.5
336.10892	12.1
341.11380	5.2
349.11890	3.5
359.99429	1.3
367.12939	14.4
393.18210	1.7
395.16138	3.8
401.15497	2.0
403.12469	1.5
419.16168	5.9
437.17139	24.8
437.22659	2.2
438.17642	1.7
439.15231	2.0
445.14023	2.9
455.18292	11.8
463.15137	16.1
464.15076	1.5
481.16113	28.5
482.16232	2.7
499.17200	56.8
500.17484	5.9
525.14398	1.7
543.16211	24.7
544.17627	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	541.302
Annotation	Tricalysioside R
Peak:m/z	Relative Intensity
55.01896	1.4
56.23487	0.3
57.03458	1.8
58.00601	1.0
59.01383	89.8
59.65154	0.3
60.01722	0.6
61.73445	0.3
61.98840	0.9
69.03447	0.5
69.19090	2.4
71.01385	29.2
71.05033	1.1
72.99323	2.1
73.02950	10.6
75.00861	0.5
81.03486	0.3
81.56796	0.3
83.01386	4.1
84.24979	0.2
85.02957	11.0
87.00877	1.3
89.02450	14.6
93.78608	0.3
95.01373	2.2
97.02959	0.5
99.00893	2.2
99.04559	0.7
101.02451	18.4
111.00886	0.4
112.15137	0.3
113.02458	10.3
119.03505	5.5
125.02449	0.9
131.03528	0.7
137.09792	0.3
143.03496	1.2
153.12892	0.5
159.02943	0.5
161.04588	3.0
179.05637	1.1
187.78722	0.3
191.11296	0.3
195.17535	2.3
277.25354	3.5
293.04477	0.4
319.22617	0.4
321.24335	3.6
337.10840	0.4
344.95200	0.3
396.79858	0.3
455.30225	1.9
481.28122	1.9
499.29141	3.9
503.34180	0.6
523.29272	0.6
541.30200	100.0
542.30518	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	541.3016
Annotation	Tricalysioside R
Peak:m/z	Relative Intensity
50.51631	0.3
55.01860	0.7
57.03447	2.5
58.00596	1.6
59.01378	100.0
60.01716	0.5
61.98829	1.5
62.90541	0.4
69.03453	0.6
70.33065	0.3
71.01381	26.6
71.05038	0.3
71.50779	0.5
72.99308	1.8
73.02946	9.4
75.00885	0.4
81.03466	0.6
83.01391	3.8
83.05047	1.1
85.02949	7.7
87.00890	1.3
89.02442	23.8
95.01407	2.0
95.11870	0.3
97.02964	0.7
99.00887	1.4
99.04517	2.5
101.02439	18.2
113.02448	19.0
119.03497	9.2
125.02475	1.3
131.03488	1.7
143.03499	2.3
147.11794	0.3
149.04552	1.5
149.09747	0.5
155.10864	0.4
159.03085	0.4
161.04533	5.4
161.05713	0.5
179.05595	2.9
187.15132	0.3
229.08698	0.6
230.09138	1.0
276.56311	0.3
343.17734	0.5
463.27472	0.7
481.27841	2.4
499.29117	2.2
541.22968	0.8
541.30200	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77795	9.8
54.85523	9.5
59.01384	86.6
59.35032	8.8
61.98822	18.5
69.42025	69.9
71.01387	51.6
73.02951	31.1
85.02941	12.3
95.08968	8.6
96.96024	11.5
98.20689	15.6
101.02441	24.4
105.08723	8.3
113.02449	12.3
293.21289	33.9
399.86563	9.6
455.26791	18.1
497.27634	100.0
541.30597	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	51.3
59.01377	100.0
61.98833	2.0
69.03464	1.3
69.30219	4.6
71.01377	14.8
72.99330	0.7
73.02946	8.5
81.03466	2.1
83.01398	2.3
85.02951	7.1
87.00887	1.0
87.04496	0.6
89.02460	4.6
95.01373	0.7
97.02959	0.7
99.00890	1.7
99.04514	67.5
100.04889	0.8
101.02441	19.1
107.85612	0.5
109.06544	0.5
113.02445	9.4
113.46983	0.5
119.03511	1.8
120.05843	0.6
123.08186	0.8
125.02444	32.4
131.03571	0.8
133.01578	0.6
135.04506	0.5
135.08180	2.0
137.02420	0.7
137.06113	0.7
139.07664	0.7
143.03455	3.4
159.03061	0.7
161.04558	4.3
162.06886	3.8
170.72324	0.6
171.04564	0.6
177.09270	1.8
179.05614	0.8
195.10298	0.7
203.03546	0.7
204.01175	0.7
247.09892	0.7
292.22476	0.6
319.22659	0.7
345.22665	5.3
397.22293	8.9
407.17160	1.1
425.18295	0.7
439.23056	3.6
481.27472	1.2
487.58252	0.6
499.28543	0.7
499.33795	0.7
505.31610	3.5
520.20056	0.6
523.32715	10.1
541.34680	13.0
542.34277	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.9
57.03445	29.9
59.01376	100.0
60.01704	0.6
61.98825	1.2
69.28970	4.3
71.01382	16.0
71.91575	0.5
72.99332	0.9
73.02940	6.1
79.58584	0.5
81.03455	1.3
83.01390	2.4
83.05040	0.6
85.02956	6.1
87.00887	1.3
89.02435	5.8
95.01399	1.7
97.02952	0.5
99.00906	1.7
99.04515	41.3
101.02444	15.7
110.65404	0.5
112.01748	0.5
113.02437	10.5
115.18285	0.4
119.03501	2.7
125.02438	24.3
125.06104	0.6
131.03438	0.8
135.04576	0.6
135.08209	0.8
136.07664	0.5
143.03487	3.2
159.03191	0.6
159.04553	1.8
161.04556	5.3
175.04019	0.8
179.05658	0.9
203.03598	1.4
224.70287	0.5
230.09157	0.7
337.23788	0.6
339.01962	0.5
345.23083	0.6
397.22241	5.3
439.23380	3.9
481.27710	2.5
499.28973	2.8
501.68546	0.6
523.33337	0.9
541.26447	1.0
541.34766	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	541.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.4
57.03447	71.3
58.03774	1.1
59.01379	100.0
60.01725	1.0
62.24705	0.7
65.72373	0.7
67.39973	0.7
69.85100	3.3
71.01383	19.5
73.02950	7.7
81.03475	2.2
83.01375	4.6
85.02957	10.2
87.00874	0.9
89.02454	2.7
95.01392	1.4
97.02956	0.9
99.00896	3.1
99.04517	82.5
100.04845	1.1
101.02447	33.0
104.94229	0.6
113.02453	9.4
119.03503	1.2
125.02448	34.2
126.02786	0.8
129.01942	1.0
137.09727	0.8
143.02567	0.8
143.03505	3.7
145.07704	0.7
159.03006	1.7
161.04539	9.9
162.06927	1.1
205.12456	0.7
211.99835	0.8
219.55748	0.8
379.21378	1.5
397.22272	20.7
398.22943	1.2
420.42276	0.8
439.23224	6.2
479.26312	1.2
506.13956	0.8
541.19135	1.3
541.26270	9.5
542.27197	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	541.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18126	7.6
59.01380	100.0
61.52709	7.7
61.98828	15.4
69.85326	43.7
71.01392	33.1
73.02930	38.1
83.01395	8.4
98.19846	9.6
101.02463	31.0
105.89697	7.1
156.81352	8.2
182.43475	8.7
275.20105	18.9
293.21326	14.1
323.40329	7.7
497.27686	55.4
541.29492	15.0
556.33289	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	541.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53588	1.2
57.03447	12.3
59.01069	1.5
59.01378	28.3
61.98818	4.3
63.80594	1.0
67.64330	0.9
69.03449	1.3
69.37078	7.2
71.01382	8.6
72.99306	100.0
73.02941	3.0
83.29911	1.1
85.02945	5.5
87.04502	4.2
89.02431	2.9
94.90369	1.0
99.00858	1.5
99.04503	10.3
101.02425	8.9
105.77889	1.0
107.05013	2.4
109.02946	3.9
113.02402	5.4
115.00358	1.6
119.03472	1.2
123.04521	35.7
125.02440	6.0
127.40157	1.0
128.03557	2.4
133.01407	1.7
134.03751	4.3
135.04518	65.7
136.04799	2.3
137.02489	1.7
137.09703	2.8
139.07558	1.3
146.04553	1.1
151.03969	3.3
155.09573	1.5
155.10774	16.7
161.02431	1.3
161.04538	1.9
161.05983	1.1
163.11281	1.2
175.03987	1.1
176.03403	1.6
178.36613	1.0
179.03490	58.1
179.10774	2.5
180.03847	1.8
181.08704	2.4
189.01886	2.1
193.15755	1.1
195.10188	1.3
197.04538	99.7
198.04836	3.1
199.09734	22.5
206.04573	1.2
241.10777	6.4
253.10828	2.2
255.12395	2.5
283.11786	9.1
293.10303	3.6
309.79074	1.0
343.13922	11.0
397.22174	3.3
541.19250	90.2
541.26819	4.9
542.19470	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	541.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23906	0.3
55.55613	0.2
57.03449	0.3
59.01382	3.3
61.98823	0.5
69.03432	0.3
71.01380	1.4
71.10654	0.3
71.50652	0.4
72.99283	0.3
73.02945	0.7
74.82551	0.3
75.31668	0.3
80.77048	0.3
82.95430	2.0
85.02961	0.7
87.04514	1.7
89.02455	0.4
97.02969	0.5
101.02443	1.4
102.15583	0.2
107.05030	0.8
109.02959	2.8
113.02453	0.4
115.00384	0.3
125.02438	0.6
130.08719	0.4
133.01384	0.3
134.03754	2.1
135.04523	100.0
136.04868	3.1
137.02440	7.5
137.09724	1.1
137.98790	0.3
151.11288	0.3
155.10776	7.3
156.11118	0.3
172.90372	0.3
176.03505	0.4
179.03532	1.6
179.10812	1.0
181.08679	0.5
191.10767	0.7
195.10175	0.7
199.09747	8.9
213.11337	0.5
226.11606	0.4
241.10796	2.5
253.10696	0.7
267.64517	0.3
283.11853	4.7
326.33133	0.3
343.13956	4.2
354.15335	0.3
355.15747	0.6
417.04276	0.3
479.19141	0.6
541.19214	16.0
541.28363	1.4
542.19568	1.5
542.84186	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53588	1.2
57.03447	12.3
59.01069	1.5
59.01378	28.3
61.98818	4.3
63.80594	1.0
67.64330	0.9
69.03449	1.3
69.37078	7.2
71.01382	8.6
72.99306	100.0
73.02941	3.0
83.29911	1.1
85.02945	5.5
87.04502	4.2
89.02431	2.9
94.90369	1.0
99.00858	1.5
99.04503	10.3
101.02425	8.9
105.77889	1.0
107.05013	2.4
109.02946	3.9
113.02402	5.4
115.00358	1.6
119.03472	1.2
123.04521	35.7
125.02440	6.0
127.40157	1.0
128.03557	2.4
133.01407	1.7
134.03751	4.3
135.04518	65.7
136.04799	2.3
137.02489	1.7
137.09703	2.8
139.07558	1.3
146.04553	1.1
151.03969	3.3
155.09573	1.5
155.10774	16.7
161.02431	1.3
161.04538	1.9
161.05983	1.1
163.11281	1.2
175.03987	1.1
176.03403	1.6
178.36613	1.0
179.03490	58.1
179.10774	2.5
180.03847	1.8
181.08704	2.4
189.01886	2.1
193.15755	1.1
195.10188	1.3
197.04538	99.7
198.04836	3.1
199.09734	22.5
206.04573	1.2
241.10777	6.4
253.10828	2.2
255.12395	2.5
283.11786	9.1
293.10303	3.6
309.79074	1.0
343.13922	11.0
397.22174	3.3
541.19250	90.2
541.26819	4.9
542.19470	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	541.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94787	1.2
54.96904	1.3
59.01390	8.7
60.43488	1.2
71.01392	19.1
71.49840	1.6
72.99310	2.4
75.00883	9.4
81.35169	1.2
82.77925	1.2
83.01391	3.4
85.02953	2.7
87.00879	22.0
89.02433	2.8
90.87171	1.2
99.00870	2.5
101.02476	2.2
115.00379	44.7
123.04551	1.4
130.04210	3.7
133.02939	6.8
135.03004	4.8
135.04492	2.1
149.06096	1.4
157.01303	1.5
159.04510	7.5
161.06082	2.9
169.54279	1.2
173.06071	34.6
174.01695	79.8
175.02483	100.0
176.02783	2.5
187.04001	5.2
189.05536	1.7
199.04053	7.2
203.07172	2.6
213.05492	5.9
217.05055	7.4
231.03073	6.0
231.06610	17.4
245.04610	2.7
255.06567	2.6
261.04050	32.3
262.04559	1.9
273.07846	1.5
275.64865	1.4
280.30896	1.3
358.20309	1.3
397.62228	1.1
423.09369	53.4
424.09335	2.9
481.09567	8.8
493.10080	1.4
493.17245	1.4
541.11908	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	541.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01143	1.2
59.01381	13.7
65.31274	1.4
68.28177	1.7
68.76208	1.4
69.47485	1.5
69.56463	10.7
69.56792	2.6
71.01378	19.8
72.05928	1.4
72.99286	3.2
73.02930	2.7
75.00860	6.8
83.01369	2.7
85.55242	1.5
87.00877	25.9
98.20610	3.0
105.03401	1.4
107.85718	1.4
109.02892	2.3
113.02450	1.9
115.00370	44.7
119.36192	1.5
130.04227	2.3
133.01419	2.8
133.02937	6.7
135.02988	3.2
139.00365	2.3
157.01424	2.4
159.04500	12.3
161.06000	3.3
171.04515	1.9
173.06056	41.9
174.01689	86.1
175.02464	100.0
187.04024	5.3
187.07562	2.7
189.05550	2.4
199.03978	8.1
201.05519	1.8
203.07185	2.8
209.89415	1.8
212.25305	1.4
213.05542	5.3
217.05084	8.2
218.05252	1.4
231.03085	7.5
231.06583	21.1
233.04475	1.9
245.04416	2.0
255.06554	4.2
261.04044	34.2
262.04150	1.6
350.94617	1.8
423.09311	66.6
424.09482	4.3
481.09750	10.9
541.11731	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	540.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.0
58.61231	0.5
59.01382	5.4
61.98829	53.8
71.01379	1.5
73.02921	0.8
85.02917	0.7
85.96246	0.5
86.91714	0.5
89.02422	0.9
98.19875	1.5
99.04545	0.7
101.02430	1.4
113.02423	0.7
115.54266	0.5
119.03509	0.5
125.02439	0.8
130.04210	1.4
143.03531	0.5
146.03764	0.5
147.83426	0.5
151.77791	0.5
174.03210	19.2
206.02182	9.9
214.06346	0.5
229.08685	100.0
230.09038	5.3
260.38229	0.5
433.06107	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19943	0.4
52.51194	0.4
54.46806	0.5
57.03433	2.2
59.01379	41.8
60.01700	1.1
60.26072	0.5
61.98830	46.8
66.71423	0.5
67.53321	0.5
71.01016	0.5
71.01383	9.3
71.51702	0.6
72.99304	0.7
73.02945	3.7
75.89930	0.5
80.55640	0.6
81.18217	0.5
83.01385	1.8
85.02943	3.6
87.00880	0.6
89.02469	2.5
89.98047	0.5
95.01428	0.6
99.00855	0.8
99.04510	1.9
101.02452	4.5
113.02451	5.4
119.03465	0.8
121.02937	0.7
149.02422	0.9
161.02426	2.1
161.04533	1.3
174.03192	1.1
178.22340	0.5
181.51790	0.5
186.06757	0.6
201.09180	2.0
213.05522	0.8
213.09064	0.6
214.06381	1.5
227.07077	0.8
229.08681	100.0
230.09036	5.1
271.09839	0.8
278.07455	0.5
279.19803	0.5
291.07544	0.5
319.22644	0.8
320.23273	0.6
337.23825	0.7
380.00620	0.6
461.25241	0.8
462.26270	0.7
479.26096	2.4
480.26752	2.5
481.28058	2.9
497.27921	1.0
498.27798	0.9
499.29156	1.0
539.28802	2.2
540.29047	4.5
541.30444	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	540.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41265	0.5
59.82975	0.6
59.91931	0.5
63.57913	0.5
63.71394	0.5
66.51022	0.5
67.88430	0.7
70.45404	1.5
70.45737	0.7
71.01364	2.0
72.00907	12.0
73.02936	0.8
78.95895	3.5
85.02930	1.0
85.20244	0.6
87.00845	1.2
88.44833	0.6
99.51186	0.6
101.02435	0.7
103.05515	1.2
103.92009	1.1
121.02947	1.4
132.71335	0.6
133.01419	1.7
134.04706	1.2
145.03004	0.6
147.04521	41.9
148.04846	1.1
149.02444	9.3
150.03224	14.5
158.92619	0.8
158.93837	1.0
161.04520	2.8
162.03291	0.9
164.04839	5.3
164.07158	100.0
165.05562	37.9
165.07474	2.7
166.05968	0.8
195.06593	12.6
225.15674	0.6
244.97588	0.7
291.65765	0.7
327.10800	11.7
328.11075	0.8
354.35739	0.6
357.12036	0.7
399.84552	0.7
424.25903	0.6
448.30536	0.6
540.06274	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.6
57.03440	1.0
58.00591	0.6
59.01378	13.4
64.22876	0.3
65.47836	0.4
70.36390	1.0
71.01006	0.6
71.01378	7.9
72.99302	0.5
73.02952	1.6
83.01384	1.2
85.02940	2.7
87.00854	0.5
89.02437	3.3
95.01418	0.5
99.00841	0.5
99.81277	0.3
101.02441	4.4
111.00848	0.4
113.02449	1.9
119.03497	0.9
121.52976	0.4
133.83871	0.4
157.12312	0.4
185.11783	0.5
215.12840	0.5
229.08626	1.8
319.94223	0.3
329.23325	1.2
339.25558	0.7
357.26428	5.5
358.26605	0.4
373.25894	0.5
375.27484	16.9
376.27823	1.1
519.31537	1.7
537.32758	100.0
538.33124	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	538.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.4
55.18082	0.7
57.03435	2.9
58.00576	1.4
59.01378	60.6
60.01678	1.2
61.98829	100.0
63.64070	0.7
69.03460	1.2
69.19178	8.1
71.01382	15.8
72.99290	4.5
73.02943	14.3
74.03275	1.1
75.00854	3.2
78.91882	1.0
83.01389	3.5
85.02959	7.0
87.00874	1.7
89.02442	8.0
95.01394	1.8
97.02932	0.9
98.20667	1.9
99.00870	0.9
99.04582	1.0
100.40912	0.7
101.02438	15.0
109.06529	0.7
111.00901	0.8
113.02440	6.5
119.03511	1.6
123.04490	1.0
125.02448	4.3
133.01436	1.5
134.03728	2.8
135.04486	2.9
135.76788	0.8
137.02415	2.6
143.03586	1.1
143.10707	0.8
149.06102	1.5
155.10739	1.3
161.04538	2.1
177.01898	3.1
178.02629	1.7
179.03456	2.1
191.05661	1.8
193.05067	3.7
194.05428	1.9
199.09752	1.7
227.03499	1.0
227.07137	11.3
228.07452	1.0
238.90840	0.8
283.11783	0.9
315.68674	0.9
335.20673	4.6
357.26337	1.8
358.26862	2.9
371.20856	4.1
375.27457	6.8
376.27753	6.9
377.28741	0.8
389.21713	2.6
431.23151	4.6
479.24948	3.3
497.26151	10.4
520.32275	1.0
537.32794	29.7
538.33142	66.6
539.27008	53.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58203	0.6
54.34373	0.5
57.03166	0.6
57.03448	11.5
59.01378	12.9
61.98823	5.5
67.98586	0.5
69.03454	0.5
69.18996	1.4
69.19419	3.9
71.01379	5.3
72.99293	2.0
73.02965	2.9
75.00891	1.3
83.05013	0.7
85.02937	2.5
87.00883	0.7
87.04500	0.7
89.02441	1.5
99.00865	0.9
99.04518	1.6
101.02431	6.2
107.05002	0.5
108.02190	0.5
113.02438	1.6
115.00394	0.6
115.03968	0.6
119.03522	0.5
121.02994	0.7
122.06148	0.7
123.04498	1.1
123.35999	0.5
125.02415	1.8
133.01425	0.8
133.02928	0.5
135.04529	14.1
137.18373	0.5
141.05579	0.6
146.03720	1.2
149.02402	0.7
153.05557	1.0
159.04544	0.5
161.02441	1.8
161.04544	1.0
173.00980	1.1
173.02428	18.1
174.03209	59.9
175.03572	1.7
177.01874	1.5
179.03510	2.6
189.01932	2.0
189.05562	37.5
190.05882	1.2
191.05531	0.8
203.03470	1.5
213.09041	0.6
218.02194	2.8
233.04532	100.0
234.04883	3.5
286.34561	0.5
291.18173	0.7
305.08914	0.6
355.08237	0.6
376.28091	1.4
377.08212	1.1
395.09698	9.4
396.11603	0.6
437.10910	2.0
453.23380	1.3
479.25226	0.7
495.18436	1.7
495.24670	5.7
497.26273	0.7
538.33087	8.4
539.13544	1.9
539.27802	3.6
539.34204	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	537.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03236	2.4
52.00294	2.9
59.01381	100.0
61.98824	4.0
66.12512	2.7
68.17506	2.6
69.84946	8.6
69.85362	6.4
77.47957	2.3
98.19939	3.1
98.60315	2.6
107.63623	2.9
141.00334	2.5
156.94576	2.6
171.10237	9.4
211.13507	2.9
233.15564	4.1
249.14954	4.5
459.27451	14.0
472.55502	2.9
477.28543	7.5
509.50436	2.9
511.08954	3.1
550.88165	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	537.328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.1
55.92270	0.6
57.03452	9.7
57.88181	0.5
59.01379	28.4
61.98821	2.2
70.15523	0.5
70.81834	0.8
71.01379	12.5
72.99300	1.3
73.02945	53.2
83.01378	2.3
85.02945	5.9
87.00890	1.0
87.04507	0.9
89.02448	6.3
95.01375	1.3
97.02907	0.6
99.00860	1.3
99.04508	8.1
101.02441	12.2
101.29842	0.5
113.02451	6.3
119.03491	1.7
123.04518	0.9
125.02443	3.9
139.36650	0.5
141.43358	0.5
153.05589	0.7
159.03033	0.8
161.04486	1.4
191.05525	0.6
194.46066	0.5
301.23865	2.0
310.37299	0.6
315.08826	0.6
349.18686	1.0
357.26385	2.1
375.27536	6.7
411.28058	0.6
463.29236	4.5
519.31641	2.2
537.32745	100.0
538.33038	9.2
540.90356	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.8
59.01384	10.7
61.98835	4.2
63.95228	0.7
69.18108	7.2
71.01397	4.7
71.01717	0.8
73.02940	2.4
74.19695	0.6
83.04996	0.8
85.02943	3.2
87.04509	7.8
89.02454	1.4
93.03455	1.6
95.05037	0.8
97.02948	1.5
99.04516	2.1
101.02446	2.4
106.04276	0.7
113.02445	1.9
121.02924	2.0
123.04521	17.8
124.04843	1.0
125.02415	2.6
133.02942	2.4
134.03734	65.6
135.04189	1.7
135.08160	1.2
137.02457	10.4
137.09702	4.8
139.04048	3.5
139.07654	1.9
149.06068	19.2
150.03218	1.4
150.06340	0.8
155.10773	26.5
163.11259	0.9
169.12268	1.5
174.40694	0.8
177.09201	0.7
178.02707	42.2
179.03230	1.4
179.10760	2.4
181.08684	2.6
181.12387	1.0
191.10777	1.1
193.05043	100.0
194.05357	4.0
195.10268	1.4
199.09744	32.1
200.10112	1.0
213.11363	1.5
223.09790	0.8
225.11284	2.6
227.07196	1.3
237.11003	1.1
241.10823	11.5
242.11241	1.0
247.30171	0.7
253.10838	3.0
255.12396	2.5
283.11890	18.7
287.22266	1.7
343.13934	10.4
344.14731	1.1
375.27228	0.8
439.75983	0.8
493.20563	1.8
536.31293	1.2
537.20093	10.3
537.32483	11.1
538.20642	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30154	0.3
57.03437	1.0
59.01376	6.1
59.01835	0.3
61.98822	1.5
71.01379	2.1
72.99313	0.5
73.02937	1.9
75.00867	1.9
78.91878	1.3
81.03451	0.6
85.02959	0.5
89.02455	1.2
89.03954	1.9
95.05003	0.5
97.02949	0.5
97.06593	1.2
99.04504	0.4
101.02433	1.9
103.51266	0.3
105.03465	3.6
113.02441	1.0
117.61919	0.3
119.03466	0.5
120.99655	2.3
123.04516	1.1
125.02460	0.6
130.04196	0.5
133.02954	7.9
139.07555	0.3
141.05498	0.8
149.02452	1.2
153.05571	1.3
159.04512	1.8
161.04584	0.6
172.86861	0.4
176.01158	0.4
177.01920	100.0
178.02242	2.7
185.11697	0.4
203.03496	1.1
215.09230	0.7
359.13455	1.0
375.27530	1.0
459.45767	0.4
463.12460	1.9
489.85559	0.4
536.30615	0.5
537.16174	7.8
537.32880	9.9
538.15881	0.9
538.33374	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00954	0.5
57.03438	2.0
58.00586	0.7
59.01379	15.8
60.01707	0.5
61.98827	5.8
69.03462	1.2
71.01377	7.5
72.99306	0.8
73.02947	5.8
75.00877	0.9
75.78135	0.5
80.02669	0.9
83.01385	2.6
83.05045	1.0
85.02955	5.4
87.00864	0.6
87.04504	3.1
89.02438	3.0
94.50501	0.5
95.01404	0.8
95.05033	1.0
97.02937	2.1
99.00928	0.8
99.04487	1.1
101.02429	6.1
108.02174	38.0
109.06583	0.8
111.04498	0.9
113.02465	2.6
113.06101	0.7
119.03452	1.0
121.06570	0.7
122.62030	0.5
123.04520	18.6
123.08157	0.7
125.02456	1.2
125.06083	1.2
133.01448	0.9
135.04503	1.9
135.08162	1.8
137.06143	1.3
143.03487	0.6
149.02455	0.7
149.06100	0.8
152.01146	80.8
153.01524	1.8
159.04482	0.5
161.09659	1.4
163.07626	0.6
163.11266	2.4
167.03484	100.0
168.03806	2.8
168.79161	0.5
175.07683	0.6
177.09166	0.6
179.03497	1.2
181.12334	13.5
182.12537	0.6
187.11191	0.7
201.12830	0.7
203.10725	0.7
203.14423	1.1
205.12326	1.9
206.81712	0.6
207.10242	2.3
211.03943	2.0
219.13940	1.3
221.15639	0.6
225.11320	13.8
226.11620	0.6
227.07111	4.5
229.08754	1.0
229.12302	0.8
229.39180	0.7
231.10258	8.0
232.10475	0.5
245.15437	0.7
247.13333	2.1
249.11246	6.7
251.07018	0.9
261.11316	0.5
263.12915	2.7
267.12357	0.9
269.08221	0.6
279.12433	0.7
291.12357	20.5
292.12900	0.6
309.13419	3.0
315.08475	0.8
357.09491	0.7
357.26505	3.1
369.15521	6.0
374.26282	1.4
375.27484	5.3
457.17404	1.1
477.30157	0.7
536.31531	5.8
537.19629	2.4
537.32538	43.3
538.33020	1.9
556.31732	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23265	0.6
59.01380	31.8
61.98830	100.0
70.80321	1.3
70.80683	0.9
71.01362	1.9
73.02950	1.4
85.02980	0.8
89.02466	2.3
101.02441	1.5
113.02475	1.3
119.03528	0.9
162.02271	0.8
387.20410	1.3
429.21295	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	536.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	38.3
61.98827	100.0
69.54398	6.3
71.01382	11.6
73.02940	18.1
83.01385	4.9
85.02956	2.1
85.72928	0.8
89.01947	0.9
89.02428	5.5
95.01326	1.1
98.19847	0.9
101.02434	18.1
109.02965	1.2
113.02431	7.3
119.03496	3.2
131.03517	2.3
135.04530	1.5
143.03516	1.4
149.04520	6.6
150.03210	3.3
153.61038	1.0
161.04558	10.7
165.05539	5.4
165.06775	0.9
179.07129	1.5
191.07047	1.4
195.06612	6.4
221.06633	4.8
223.36331	0.8
233.29218	1.1
246.82292	0.9
253.43919	1.0
287.18939	0.9
303.99051	1.0
327.12314	5.0
345.13602	0.9
357.62479	0.8
424.63187	1.0
429.20944	1.0
500.12128	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55754	0.2
54.44675	0.2
57.03450	1.2
59.01382	2.1
59.60743	0.1
61.98832	0.3
69.28117	1.5
71.01371	0.7
73.02912	0.9
75.00871	0.5
78.39502	0.2
81.03458	0.4
85.02969	0.3
89.02459	0.2
89.03967	2.1
93.03432	0.2
95.05028	0.2
97.06585	0.8
99.04505	0.8
101.02435	0.6
104.02674	0.3
105.03455	4.1
109.02981	0.2
119.03471	0.2
120.14005	0.1
120.99653	0.5
123.04524	0.4
125.02415	0.4
127.07583	0.3
133.02951	9.9
141.05559	0.7
148.01634	0.2
149.02440	0.9
153.05598	0.4
159.04517	1.3
176.01149	0.7
177.01918	100.0
178.02260	3.0
203.03514	0.6
203.14961	0.2
210.61508	0.2
215.09283	0.4
251.98122	0.2
359.13458	0.9
375.27737	0.3
463.12387	1.7
493.26059	0.2
537.16119	8.4
537.32898	1.5
538.16284	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3124
Annotation	Antibiotic BU 2867TG
Peak:m/z	Relative Intensity
55.01875	0.6
55.88732	0.3
56.17853	0.3
57.03440	1.7
58.00583	0.6
59.01380	21.1
61.52329	0.2
61.98549	0.3
61.98835	2.0
69.03466	0.5
69.40435	0.9
69.40862	1.3
71.01384	10.6
72.01712	0.3
72.99309	1.5
73.02559	0.3
73.02943	3.7
75.00862	0.5
83.01385	1.5
84.02119	0.4
85.02953	3.6
87.00874	1.6
87.04556	0.4
89.02446	5.1
95.01365	0.8
97.02962	0.3
98.20676	0.6
99.00866	1.0
99.04514	1.4
101.02437	6.9
111.00907	0.3
113.02453	3.2
115.00380	0.4
119.03465	1.4
120.08181	0.3
123.04530	3.3
125.02451	1.4
125.09743	0.4
127.11201	0.3
143.03511	0.3
143.05009	1.6
147.68275	0.3
160.41747	0.3
171.10246	0.9
193.05016	0.4
194.94949	0.3
203.03520	0.4
213.14922	0.7
287.18652	1.2
295.22720	2.7
307.22769	1.2
311.22311	1.8
313.23843	8.2
314.24118	0.7
319.22647	0.6
325.23828	3.1
327.25363	0.5
329.23190	2.4
331.24857	10.5
332.25186	0.8
337.23859	1.2
343.24905	0.5
345.26550	0.4
355.24878	4.2
373.25925	5.9
374.26462	0.5
447.17059	0.4
456.14737	0.3
475.29053	7.7
476.29700	0.5
487.29102	0.9
491.28729	0.6
493.30130	10.4
494.30267	0.8
505.30090	0.6
517.30292	1.4
535.31207	100.0
536.31561	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	535.3121
Annotation	Glidobactin D
Peak:m/z	Relative Intensity
51.97662	0.3
52.59255	0.3
54.10720	0.5
55.01870	0.8
57.03438	0.6
57.80729	0.4
58.00580	0.5
59.01377	21.6
61.98807	1.5
69.03452	0.4
70.25633	0.3
70.52142	0.5
70.52507	0.9
71.01379	10.0
72.99302	1.3
73.02937	2.3
78.89365	0.3
81.03436	0.7
82.59259	0.4
83.01378	1.5
83.05010	1.6
85.02945	3.6
86.96023	0.4
87.00861	1.4
89.02435	7.1
95.01375	0.9
98.20603	0.4
99.00844	0.7
101.02435	7.9
113.02440	3.5
115.00373	0.4
119.03489	2.3
119.04996	0.9
125.02455	0.4
127.11217	0.5
131.76532	0.4
133.01414	0.5
133.02940	0.4
135.04446	0.5
163.03960	0.8
201.01839	0.5
243.16946	0.9
267.23230	0.4
269.61722	0.4
293.24612	0.9
295.22757	10.6
297.12616	0.4
311.22205	1.0
311.25897	3.9
313.23831	32.5
314.24075	1.7
373.25977	0.8
386.61365	0.4
392.26947	0.4
457.28198	0.8
473.31113	2.3
475.29074	29.4
476.29459	2.6
491.29095	0.4
503.34659	0.5
511.08539	0.4
517.30255	1.7
535.31201	100.0
536.30249	5.9
536.37408	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	533.2965
Annotation	fatsicarpain B
Peak:m/z	Relative Intensity
54.92855	0.4
55.01880	0.7
57.03447	1.9
58.00577	0.4
59.01377	23.4
61.98816	1.6
66.43806	0.5
68.57820	0.4
69.03452	0.4
70.26246	1.5
71.01014	0.7
71.01379	9.7
72.99297	1.0
73.02938	4.1
78.74413	0.4
83.01380	1.5
85.02953	3.7
87.00854	0.8
89.02439	5.3
95.01380	0.9
97.06583	0.5
101.02438	6.3
113.02431	3.6
119.03503	1.4
125.09717	1.8
128.11516	0.5
139.11295	0.6
141.09213	0.4
159.04504	0.4
171.10284	4.7
185.11812	0.6
193.08765	0.5
200.10501	0.5
223.20374	0.4
224.90833	0.4
230.99989	0.4
265.17993	0.9
293.21262	0.5
297.92813	0.4
317.21191	0.5
323.22049	0.6
341.23297	1.7
353.23282	5.0
354.23761	0.5
355.24976	0.6
371.24356	11.6
372.24777	0.6
417.33609	0.4
473.27249	1.1
515.28638	2.2
533.29633	100.0
534.29999	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	533.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.3
58.00588	0.9
59.01378	26.7
61.98846	2.5
69.14751	4.6
71.01382	11.4
72.99304	1.0
73.02943	3.4
83.01384	1.8
85.02945	3.3
86.63477	0.5
87.00863	3.6
89.02453	2.9
95.01386	0.9
97.02969	0.5
98.19871	0.9
99.00872	1.1
101.02446	6.3
111.00852	0.5
113.02456	2.8
119.03499	0.8
123.08154	0.4
124.01681	0.7
125.02445	1.3
311.25906	9.3
312.26343	0.8
327.25412	1.4
329.26926	26.1
330.27335	1.8
341.26892	1.0
343.28259	1.1
371.28116	0.9
473.31241	9.4
474.31885	1.0
491.32239	24.2
492.32480	1.7
509.18521	0.5
533.33289	100.0
534.33783	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	535.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80866	0.5
55.77307	0.5
57.03438	1.1
59.01378	17.8
61.98825	4.0
69.59641	3.2
71.01383	7.8
72.99313	0.9
73.02944	2.9
83.01372	0.9
85.02945	1.9
85.50120	0.5
87.00883	0.5
89.02441	9.7
95.01431	0.6
101.02439	6.3
113.02443	3.6
117.03442	4.0
119.03489	4.4
119.05036	0.8
119.57900	0.6
145.02959	3.1
147.04521	1.8
149.06093	0.7
161.02382	1.1
161.04498	1.0
163.03986	1.6
173.02431	24.5
174.03201	11.7
175.03979	5.7
179.05544	0.7
189.01907	5.6
190.02647	0.8
201.01921	100.0
201.81108	0.6
202.02280	3.4
215.03400	0.6
218.02199	10.9
219.02744	0.7
243.10020	0.6
270.05426	0.6
270.08368	1.2
271.08914	1.0
329.17633	5.3
355.15543	1.0
373.16519	9.1
373.25909	0.7
374.16653	1.0
381.08569	0.9
491.27893	0.6
535.21997	5.7
535.31635	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	533.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.9
57.03461	2.6
58.00589	0.8
59.01384	26.9
60.01731	0.5
61.98828	2.7
71.01386	12.0
71.01781	0.6
71.50417	0.7
72.99323	1.2
73.02949	3.2
83.01407	1.4
83.47078	0.5
85.02954	3.9
87.00912	1.4
89.02454	10.6
90.47510	0.5
95.01428	1.1
99.00873	1.0
99.04537	1.2
101.02445	8.7
102.38600	0.5
111.00904	0.7
113.02468	5.6
117.03471	4.5
119.03494	5.9
119.05029	1.5
125.02460	1.5
133.02962	1.6
143.03444	0.8
145.02954	2.6
146.03772	1.2
147.04500	1.9
159.04512	0.9
161.02480	1.2
161.04597	1.3
162.03328	0.6
163.03987	2.9
165.05518	1.0
171.10281	1.2
173.02435	24.9
174.03212	13.5
175.03992	21.1
183.08138	4.4
183.14046	0.7
187.04053	0.6
189.01974	5.1
199.04033	0.9
201.01932	100.0
202.02341	3.5
211.04010	1.5
215.03500	0.7
218.02193	12.9
219.02785	0.9
227.07076	3.0
229.90813	0.5
311.22290	0.7
327.15991	5.7
329.23312	1.7
337.09119	1.5
353.14017	0.8
353.23499	1.3
371.15042	10.3
371.24225	4.1
372.15277	0.8
381.08243	7.0
473.27527	1.5
491.19165	1.1
491.28577	2.8
515.28296	0.9
532.28101	1.0
533.20538	4.4
533.29559	38.2
534.29944	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	533.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.0
57.03448	1.3
59.01375	17.6
60.61871	0.5
61.98828	1.2
69.39977	1.1
69.40384	3.0
71.01378	7.0
72.99317	0.9
73.02939	5.0
76.63017	0.5
79.25323	0.5
83.01392	1.9
85.02958	3.7
89.02453	4.2
95.01384	0.8
97.06588	0.6
99.00919	0.7
101.02444	5.0
113.02435	2.7
119.03498	0.9
121.12385	0.5
123.08163	0.9
125.09745	2.7
141.09253	0.7
153.09224	0.6
153.98219	0.6
155.10764	0.8
159.02956	0.6
171.10254	6.2
178.27654	0.6
185.11845	1.0
188.73305	0.6
199.13382	0.7
215.12857	0.8
323.22238	0.6
337.24017	0.6
341.23343	6.6
353.23242	4.2
354.23557	0.6
355.24771	4.9
371.24326	14.3
372.24554	0.8
472.30048	0.5
473.27698	0.7
488.65927	0.7
495.83435	0.6
503.28546	1.1
515.28809	0.8
533.29626	100.0
534.29968	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	533.203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.5
58.00576	0.6
58.82481	0.6
59.01383	14.2
61.98832	2.5
67.01885	1.1
69.58192	3.5
71.01391	4.3
73.02950	1.8
83.01381	1.2
84.13341	0.5
85.02974	1.3
87.00878	0.9
89.02444	1.3
89.99698	0.5
93.03443	0.5
99.00875	0.7
101.02459	1.9
103.05547	0.8
113.02483	1.2
117.03431	1.0
119.05064	0.8
121.02979	0.8
125.02401	0.6
130.04254	0.7
131.05042	1.3
133.02966	4.8
139.04057	0.7
145.02985	1.7
146.03738	1.6
147.04564	3.3
159.04526	0.9
161.02417	2.5
161.04552	0.6
163.04047	1.0
163.67500	0.5
173.02448	100.0
174.03221	17.5
175.04008	88.2
176.04369	3.2
177.01936	0.7
187.04024	0.7
189.01947	22.4
199.04074	1.6
201.01935	4.5
218.02208	53.9
219.02773	3.6
243.02980	0.6
309.24500	0.9
327.16061	5.0
327.25317	5.8
329.23343	1.2
337.09290	5.7
338.09537	0.8
371.15018	36.4
371.24405	6.6
372.15280	1.7
381.08401	4.7
416.12552	0.6
473.27682	1.5
515.27777	0.7
533.20923	0.9
533.29572	17.3
534.30286	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	533.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.2
57.03440	0.3
57.49536	0.2
59.01376	3.5
61.98826	1.6
65.00331	0.3
67.01877	1.3
68.73049	0.2
69.80497	0.5
69.80895	0.6
70.50148	0.2
71.01378	1.5
73.02940	0.5
85.02949	0.5
89.02436	0.9
89.03977	0.5
95.21120	0.2
101.02445	0.8
102.04754	0.3
103.05544	0.8
107.01406	0.4
113.02463	0.3
117.03468	1.3
119.03504	0.3
119.05012	1.0
121.02988	0.2
122.34263	0.2
130.04187	0.5
131.05022	3.5
132.02089	0.2
133.02959	9.4
145.02945	0.5
147.04507	4.6
151.11142	0.2
160.01668	0.5
163.03973	0.8
173.02406	2.2
174.01761	0.2
174.03235	0.7
175.03987	100.0
176.04335	3.5
188.01079	0.3
189.01898	0.4
190.02763	0.2
199.04007	1.7
201.01918	28.6
202.02202	1.2
216.09033	0.2
217.05028	0.3
219.02948	0.7
290.71533	0.2
295.71872	0.2
309.24280	0.4
337.09265	5.4
338.09705	0.3
371.24051	0.3
381.08237	18.6
382.08603	1.1
447.25912	0.6
489.26984	2.2
533.29718	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87799	0.4
57.03444	0.7
57.39511	0.3
59.01375	1.4
67.01876	0.4
70.60751	0.8
70.61124	0.8
71.01379	1.5
75.24704	0.4
81.03448	0.5
85.02947	9.9
87.00872	2.2
88.76167	0.4
93.03445	3.0
99.00900	0.6
106.31360	0.4
109.02943	1.1
111.04510	0.9
112.04890	0.4
116.89587	0.4
119.58735	0.4
127.03997	1.8
129.01947	3.3
148.80899	0.3
171.02997	0.6
173.04555	1.1
191.05600	100.0
192.05981	2.2
193.82130	0.4
274.15442	0.4
287.90768	0.5
317.98502	0.4
327.34503	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81386	0.5
57.03453	1.0
59.01379	1.5
71.01375	1.9
83.05023	0.6
85.02949	9.7
87.00871	2.4
93.03448	3.6
99.00842	0.5
111.04512	0.7
127.03977	1.9
129.01912	5.7
159.84935	0.5
171.03056	0.6
173.04582	0.9
188.07481	0.5
191.02122	2.7
191.05600	100.0
192.05956	2.5
229.12675	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	8.2
61.98817	2.4
62.68586	0.5
67.01885	0.8
69.49382	4.1
71.01379	2.4
73.02951	0.7
87.31117	0.5
89.02444	2.0
101.02434	1.4
103.05551	0.7
108.50153	0.5
113.02450	1.2
117.03461	2.4
119.05005	0.9
125.02460	0.5
131.05028	3.3
133.02951	7.8
139.11263	2.6
145.02939	1.6
147.04520	5.4
173.02415	1.8
175.03993	100.0
176.04330	3.0
199.04025	1.3
201.01920	48.9
202.02264	1.6
219.02980	0.8
337.09216	6.2
343.75775	0.6
371.15085	0.8
381.08249	18.0
382.08658	1.5
388.08380	0.6
407.70340	0.7
532.31659	1.1
533.32666	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	533.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	2.7
57.32786	0.8
59.01374	1.4
60.43418	0.9
67.01903	1.0
70.76659	1.9
70.77016	0.7
70.79259	0.7
71.01381	3.9
71.11895	1.0
75.13602	0.8
85.02951	10.2
87.00861	4.8
93.03468	2.6
99.00890	1.2
111.04496	1.1
116.85206	0.9
123.20019	0.8
127.04036	1.7
129.01939	12.3
147.03064	1.3
164.19914	1.0
173.04495	1.4
191.02045	7.2
191.05606	100.0
192.06032	1.3
353.79965	0.8
480.17389	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09122	0.9
57.03452	4.4
59.01379	13.4
61.98840	1.2
69.54061	5.2
71.01379	4.8
73.02913	1.8
84.00780	0.8
85.02943	1.4
89.02477	1.4
93.03480	1.6
98.20664	1.2
99.04505	4.2
101.02451	3.1
102.87048	0.8
107.01403	3.0
109.02973	1.3
113.02446	3.5
125.02431	2.9
132.02257	1.1
135.00883	1.3
143.04990	0.8
151.00377	1.9
159.04457	1.1
163.00327	2.0
185.05968	2.3
187.03992	2.4
211.04019	2.5
213.05598	1.1
227.03496	24.3
228.03900	1.6
229.05038	8.1
239.03529	1.4
241.05048	1.9
255.02985	57.8
256.03589	4.9
257.04584	5.2
267.02933	1.3
280.39240	0.9
284.00027	1.2
284.03256	77.9
285.04031	100.0
286.04340	5.7
299.13107	0.9
379.63452	1.0
389.21686	2.6
489.10376	52.4
490.10648	4.0
533.29443	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	533.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.1
57.03444	5.4
59.01379	67.9
61.98820	5.4
65.02475	1.4
65.28329	1.5
69.03455	1.8
71.01378	23.4
72.99294	2.0
73.02945	11.2
82.70695	1.4
83.01398	4.6
85.02947	11.5
87.00890	3.2
89.02432	9.7
95.01444	2.2
99.00892	3.2
99.04504	4.9
101.02443	16.2
107.01409	2.3
113.02447	10.0
114.52299	1.6
119.03502	2.3
121.02971	10.0
125.02438	4.8
125.09698	1.7
133.01337	1.7
135.00917	1.7
135.04491	1.8
151.00394	2.3
153.85037	1.6
159.04494	6.1
161.04541	2.6
163.00386	1.8
166.02731	4.1
181.05095	3.2
182.13977	1.9
185.06033	1.9
191.06943	1.5
199.03986	1.5
206.70766	1.4
211.04063	2.1
225.05730	1.5
227.03485	11.4
229.05013	6.4
233.39424	1.6
240.04300	4.9
253.08766	2.6
255.02939	27.2
255.06712	2.9
256.03677	1.7
257.04532	2.0
263.07162	2.0
267.03009	5.9
268.07288	4.3
269.04333	1.4
269.08133	8.8
270.09009	3.4
281.08203	24.0
282.08881	2.9
283.09714	9.6
284.03250	39.7
285.04016	55.9
286.04370	3.3
296.03131	6.3
296.10336	2.9
297.04022	5.2
297.11267	2.1
299.09317	8.0
302.07925	2.2
314.11536	13.3
315.12424	7.9
327.24893	1.7
329.13879	19.0
343.11938	8.3
422.92181	1.7
443.13403	3.1
458.15848	8.5
461.14368	2.9
473.18109	100.0
474.18408	5.8
476.16614	10.5
489.10248	19.6
489.23297	1.6
491.19199	87.5
492.19565	5.9
501.10287	6.5
507.08057	1.8
533.20258	41.5
533.29504	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	533.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.9
58.37383	1.2
59.01380	6.5
69.20659	2.3
69.21066	7.7
71.01369	2.0
77.03989	1.1
89.02441	1.7
99.04523	1.9
101.02445	2.2
109.02968	2.6
113.02518	1.5
115.00400	1.2
119.04995	1.3
121.02972	1.5
125.02359	1.5
133.02946	13.2
135.04530	2.4
145.02988	1.4
149.02373	1.6
150.66742	1.0
161.02359	1.1
163.00319	1.8
163.03952	3.7
165.01971	1.3
175.03981	3.5
177.01915	2.2
191.03474	2.5
194.61983	1.1
201.01851	1.4
213.05452	1.4
225.05542	1.4
232.22574	0.9
241.04965	1.1
257.89218	1.3
267.06366	1.1
269.04520	1.3
271.06094	1.5
281.04361	1.3
284.03253	8.6
285.03845	5.8
297.04031	11.4
298.04730	7.5
299.05600	21.3
309.04108	2.7
311.05496	1.8
327.05066	100.0
328.05219	5.2
339.05182	2.1
357.06116	17.1
369.06049	3.1
393.06073	1.0
429.08334	2.9
447.09268	1.7
460.76654	1.2
473.17902	1.5
480.23242	1.4
489.10352	27.1
490.10526	2.2
533.12457	2.8
540.14288	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	533.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	23.4
59.01382	58.2
62.83794	2.0
65.42298	2.2
67.34352	1.9
71.01386	14.5
71.49779	1.8
71.50200	2.9
72.44900	2.6
73.02949	4.5
83.01379	4.2
85.02946	5.7
87.00902	4.2
88.98801	2.5
89.02454	7.9
90.88042	2.1
91.44598	2.0
96.96010	5.9
99.04523	26.9
101.02464	13.8
109.02987	3.6
113.02464	6.0
115.00340	2.5
117.03490	2.2
119.14867	2.1
119.98528	1.9
121.02921	2.9
125.02464	13.0
128.03554	3.0
133.02957	18.8
134.03831	2.3
135.04544	4.4
143.04626	7.5
147.04489	2.6
149.02420	3.9
161.02417	2.9
161.04610	4.0
163.00380	3.9
163.04080	5.0
165.02071	2.4
167.81209	2.1
175.03967	4.4
184.33994	2.0
215.03493	2.3
284.03217	8.8
285.04120	6.6
297.04022	16.7
297.07391	4.1
298.04898	10.2
299.05624	14.7
306.07681	12.3
309.04034	16.5
311.05753	6.2
325.06998	3.3
327.05106	100.0
328.05472	7.0
339.05051	7.3
341.06668	6.6
353.06628	4.4
357.06009	17.4
365.06985	3.0
369.06146	8.1
383.07620	4.2
389.22049	2.8
429.08228	13.9
431.22885	3.6
443.09793	5.7
447.09293	4.4
489.10339	37.6
490.10522	2.6
533.13245	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	531.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33995	0.8
53.37823	0.8
57.03452	79.7
59.01383	100.0
69.53783	3.2
69.54212	3.5
71.01385	10.6
73.02943	3.9
78.91899	1.8
81.03455	3.0
83.01394	2.4
85.02979	4.3
87.00913	1.1
89.02453	10.1
95.01388	1.1
97.06607	0.9
99.04527	88.1
100.04855	1.2
101.02453	21.2
113.02464	6.6
119.03474	2.9
124.01622	1.4
125.02457	51.8
126.02770	2.4
127.02813	1.2
131.03482	1.0
143.03485	3.5
149.99609	1.7
161.04535	2.9
168.00656	2.7
179.05617	1.9
189.12834	2.8
191.05609	1.1
199.22650	0.9
241.14378	0.8
369.09766	1.2
387.20227	8.3
403.96912	0.9
429.21255	3.6
531.16461	11.6
531.23969	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	531.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.9
57.03446	71.6
58.00106	0.9
59.01377	100.0
60.01684	1.1
61.98833	2.2
62.03061	0.9
69.03440	2.4
69.65710	6.0
71.01378	33.6
71.97598	1.2
72.80611	1.2
72.99281	2.0
73.02943	9.0
75.00863	1.3
81.03452	3.3
83.01372	5.6
83.05011	2.4
85.02948	12.2
87.00869	2.1
89.02438	18.5
93.36391	1.2
94.12801	0.9
95.01375	2.5
96.65269	0.9
97.02937	1.7
99.00875	3.9
99.04515	78.8
100.04871	1.9
101.02437	38.3
113.02442	14.8
115.92014	1.1
116.92841	2.6
119.03487	9.5
125.02439	35.8
126.02773	1.4
130.45683	1.1
135.04480	1.4
137.09744	1.4
143.03487	3.1
149.04536	1.7
149.06104	0.9
153.09166	2.1
155.59866	1.1
161.04535	4.2
163.11241	1.4
177.01961	2.1
179.05519	2.6
185.00867	1.2
191.05611	2.1
197.15463	1.5
207.13786	2.7
225.14928	12.0
249.14943	1.3
309.17276	1.5
369.09763	2.4
369.19162	25.3
387.20227	78.3
388.20593	6.6
429.21255	16.1
430.21448	1.6
469.24307	3.7
487.25043	1.8
531.15027	1.5
531.24670	20.6
532.24689	2.3
551.21649	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	531.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64442	1.0
55.01868	1.6
57.03448	67.8
59.01377	99.5
62.60665	1.0
69.13702	7.5
69.14125	4.1
71.01382	16.6
71.05035	1.0
73.02946	6.4
75.01006	0.9
81.03439	2.4
83.01389	3.6
85.02940	6.7
89.02435	3.9
98.20771	1.9
99.00877	2.0
99.04517	100.0
100.04816	2.2
101.02439	26.5
105.70380	1.1
113.02460	7.8
119.03468	1.7
125.02441	43.4
138.06830	9.9
143.03467	4.1
153.09218	27.1
161.04524	6.3
202.93927	1.0
207.13878	3.0
225.14954	43.7
226.15369	1.7
369.19113	15.8
370.19531	1.1
387.20261	19.9
429.21344	12.4
469.24246	4.0
487.25406	2.8
505.29791	1.3
531.24286	12.1
539.85944	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	531.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.9
57.03446	71.6
58.00106	0.9
59.01377	100.0
60.01684	1.1
61.98833	2.2
62.03061	0.9
69.03440	2.4
69.65710	6.0
71.01378	33.6
71.97598	1.2
72.80611	1.2
72.99281	2.0
73.02943	9.0
75.00863	1.3
81.03452	3.3
83.01372	5.6
83.05011	2.4
85.02948	12.2
87.00869	2.1
89.02438	18.5
93.36391	1.2
94.12801	0.9
95.01375	2.5
96.65269	0.9
97.02937	1.7
99.00875	3.9
99.04515	78.8
100.04871	1.9
101.02437	38.3
113.02442	14.8
115.92014	1.1
116.92841	2.6
119.03487	9.5
125.02439	35.8
126.02773	1.4
130.45683	1.1
135.04480	1.4
137.09744	1.4
143.03487	3.1
149.04536	1.7
149.06104	0.9
153.09166	2.1
155.59866	1.1
161.04535	4.2
163.11241	1.4
177.01961	2.1
179.05519	2.6
185.00867	1.2
191.05611	2.1
197.15463	1.5
207.13786	2.7
225.14928	12.0
249.14943	1.3
309.17276	1.5
369.09763	2.4
369.19162	25.3
387.20227	78.3
388.20593	6.6
429.21255	16.1
430.21448	1.6
469.24307	3.7
487.25043	1.8
531.15027	1.5
531.24670	20.6
532.24689	2.3
551.21649	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	531.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32189	0.3
57.02338	0.3
57.03412	0.5
59.01382	2.8
61.98839	0.3
67.01883	1.6
69.60896	2.2
71.01373	0.9
73.02961	0.4
82.66951	0.3
85.02937	0.5
89.02434	0.5
89.03959	0.4
98.19999	0.7
101.02438	0.7
103.05515	0.6
107.01377	0.4
117.03469	1.1
119.05039	0.6
120.79562	0.4
130.04230	0.7
131.05005	3.6
133.02943	9.0
133.03912	0.7
134.03224	0.4
145.02937	0.9
147.04521	4.5
160.01668	0.4
163.03969	0.4
166.01312	0.3
173.02417	2.5
174.03149	0.8
175.03987	100.0
176.04364	2.9
199.03978	1.6
201.01917	26.7
202.02278	1.3
214.38036	0.4
217.05135	0.4
219.03073	0.8
325.23782	1.0
337.09235	5.8
338.09528	0.4
381.08224	17.4
382.08582	1.2
487.29016	0.6
531.28168	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	531.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46520	0.2
52.62216	0.2
53.48471	0.2
57.03445	0.5
59.01375	6.6
61.54012	0.3
61.98827	0.8
67.01869	1.4
68.24885	0.3
68.40518	0.3
71.01384	2.3
72.99342	0.3
73.02949	1.1
79.85253	0.3
81.03461	1.1
85.02945	0.8
89.02438	1.9
98.20773	0.4
101.02442	1.6
102.04787	0.3
103.05533	0.5
107.01321	0.4
113.02458	0.8
117.03474	1.7
117.04250	0.3
119.03525	0.6
119.05016	1.0
123.53877	0.2
130.04210	0.5
131.05023	3.3
133.02953	8.0
137.09732	1.2
144.40103	0.3
145.02948	1.4
147.04512	5.0
159.04527	0.4
161.04541	0.4
163.04007	0.9
173.02419	1.8
174.03194	0.7
175.03990	100.0
176.04347	3.0
188.01048	0.4
189.05576	0.4
199.04019	2.0
201.01918	46.0
202.02243	1.6
217.04924	0.4
219.03044	0.5
229.14833	0.3
291.19775	0.5
309.20773	2.0
325.14380	0.3
337.09232	4.9
369.13489	0.7
381.08240	15.4
382.08609	1.1
531.15460	0.6
531.28772	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.2
51.90355	0.2
57.03445	0.3
59.01379	3.3
61.98828	0.5
65.44916	0.2
67.01871	1.3
67.31328	0.2
69.48506	1.3
71.01378	1.5
73.02953	0.4
85.02953	0.3
87.00827	0.2
89.02454	0.6
89.03941	0.3
91.30161	0.2
95.01373	0.3
96.48840	0.2
99.04509	0.5
101.02462	0.9
102.04746	0.2
103.05584	0.4
107.01383	0.3
113.02439	0.6
117.03466	1.1
119.03492	0.2
119.05027	1.1
129.03413	0.3
130.04266	0.5
131.05023	3.7
133.02953	9.4
143.04997	0.2
145.02956	1.4
147.04518	4.5
161.04549	0.2
163.03978	0.6
165.05360	0.2
173.02440	2.2
174.03209	0.6
175.03990	100.0
176.04323	3.5
177.02286	0.2
188.01167	0.2
199.04001	1.7
201.01917	27.9
202.02248	1.1
217.04951	0.2
219.02901	0.6
243.79079	0.2
325.23767	0.8
337.09256	6.3
338.09561	0.4
369.22617	0.5
381.08237	16.7
382.08670	1.1
487.28967	0.6
531.28290	1.1
544.17902	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54424	0.8
57.03455	1.4
59.01378	13.7
60.53553	0.7
61.98820	3.2
65.00323	3.4
66.53169	0.7
69.22504	6.6
71.01385	2.8
73.02945	1.0
83.73042	0.9
85.02957	1.1
93.03432	0.8
95.01426	0.7
98.19917	1.5
101.02441	1.7
108.02187	1.0
109.02948	3.4
113.02435	1.1
121.02934	1.0
124.01682	1.6
131.04990	0.9
131.08765	0.8
133.02965	1.9
133.06604	4.5
135.00826	0.8
137.02399	0.8
148.01666	7.0
149.02420	3.2
149.06108	2.2
151.07632	1.2
159.04469	1.1
161.02429	1.5
163.00354	1.9
163.07645	1.0
173.02348	1.1
173.06084	1.0
175.00366	2.9
175.04001	3.0
175.07614	2.1
176.01147	2.4
177.01865	1.1
189.05446	0.9
189.35754	0.8
191.07156	1.2
193.08635	1.9
199.03992	1.1
201.01933	2.1
203.03496	0.8
217.01450	1.2
217.05081	5.8
219.06609	10.2
227.03549	2.3
230.02225	0.9
231.06598	1.8
233.08197	1.5
238.02615	0.8
241.04990	1.2
249.11137	1.0
251.03532	1.2
256.03784	1.2
263.86499	0.9
267.02890	1.5
267.12122	0.8
271.02448	3.5
281.04626	1.3
284.03116	1.1
297.04126	1.3
323.09235	22.4
324.09695	1.5
325.03525	4.9
325.06940	1.1
325.10736	1.9
339.08719	3.5
340.09665	1.3
351.08710	28.4
352.09039	1.3
368.08948	8.2
369.09671	28.6
370.10007	1.8
403.72440	1.0
489.27661	1.1
531.15088	100.0
531.28448	3.9
532.15472	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	531.151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.3
58.00583	1.1
59.01384	44.0
59.91992	0.6
61.98798	2.6
65.00326	3.3
69.00839	0.7
69.03426	1.1
69.19257	2.0
69.19672	4.5
71.01028	0.7
71.01382	11.9
72.99285	1.0
73.02951	6.5
79.30383	0.6
81.03416	0.7
83.01361	2.1
85.02958	5.0
87.00847	1.2
87.04511	0.7
89.02436	7.2
93.03410	0.8
95.01375	1.2
95.05003	2.0
97.06558	1.3
99.00858	1.7
99.04520	3.1
101.02458	9.0
105.03462	3.7
105.07080	0.8
107.04993	1.3
108.02149	1.2
109.02921	1.6
113.02454	5.5
115.00356	1.3
119.03467	2.6
119.05037	3.1
123.08173	1.1
125.06050	1.5
133.01427	1.1
133.02960	19.7
134.03763	1.0
135.04526	1.2
136.01605	0.8
137.06033	3.1
147.00853	0.7
149.02431	3.5
149.06079	5.9
151.04028	0.9
161.02408	1.3
161.04604	1.7
161.06027	2.6
163.04012	0.8
167.07101	4.5
173.06058	3.0
175.00334	2.6
175.02570	1.2
175.03934	4.3
176.01149	1.5
177.01918	14.8
178.02509	1.1
179.03511	1.2
182.96400	0.7
191.03900	0.6
191.05676	1.4
191.07155	1.8
199.03984	4.9
201.01920	5.9
205.04950	3.7
207.02950	1.9
211.04118	0.7
216.04178	1.4
217.05026	4.0
222.05333	2.7
226.06355	1.0
235.06070	6.3
237.07591	3.5
238.06239	0.8
240.04222	2.4
243.02942	1.7
253.04951	1.2
254.05681	0.7
266.05542	0.9
271.09708	0.8
280.47281	0.8
281.04355	1.1
283.02377	0.9
283.09741	1.3
284.03238	1.8
293.07306	0.8
295.09647	2.4
297.04053	2.0
298.04843	2.5
299.06030	0.9
301.10825	1.1
307.09714	1.1
309.04160	4.2
309.07437	1.1
309.20618	2.3
325.10767	2.3
327.21683	1.0
330.03818	1.1
336.61908	0.7
337.07031	1.2
338.07831	1.2
339.08795	10.6
341.10309	1.0
351.08716	18.0
352.08942	1.7
353.10205	1.9
369.09775	100.0
370.10150	5.6
415.10617	1.0
443.45047	0.7
471.25763	3.0
489.27280	2.3
513.26758	1.1
530.26788	1.3
531.15155	89.4
531.27679	34.0
531.87561	0.8
532.15588	6.4
532.28680	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	530.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.0
61.98813	1.9
71.50641	0.8
78.95914	5.4
152.99608	0.6
168.04344	1.2
185.48442	0.5
223.59044	0.5
224.06931	0.8
242.08031	1.2
255.23300	100.0
256.23630	5.7
277.21686	1.7
471.34793	1.4
472.35257	3.1
480.30969	31.1
481.31168	3.2
530.30212	4.6
531.30267	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	530.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93510	0.3
59.01377	0.8
61.98830	4.8
66.91709	0.4
69.35180	2.9
74.79334	0.4
75.00876	0.4
78.95902	18.1
88.98865	0.4
89.02464	0.3
96.96914	0.5
133.51944	0.4
152.99620	2.0
167.01118	0.4
168.04321	2.8
224.06921	6.9
242.07880	1.9
255.23276	100.0
256.23618	5.2
267.03012	0.4
277.21637	2.4
280.23615	0.8
422.74741	0.4
445.23657	1.0
480.30920	58.8
481.31186	4.9
530.21478	0.4
530.30688	1.1
531.24170	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	5.6
59.01374	14.5
61.98825	1.8
62.72765	0.8
63.30080	0.8
68.99814	1.0
69.03453	4.4
70.66901	2.1
71.00969	1.1
71.01075	0.6
71.01379	31.8
72.99304	32.9
73.02945	37.7
75.00877	5.4
83.01391	4.7
85.02950	53.4
87.00880	6.7
89.02481	4.2
91.47533	0.8
93.25106	0.8
95.01390	14.6
96.96001	4.4
97.02925	2.0
99.00874	10.4
101.02450	13.1
103.00377	2.8
103.04025	3.7
107.62086	0.9
111.00855	1.7
112.88708	0.8
113.02445	100.0
114.02788	1.4
115.00373	9.0
117.01937	1.6
129.01944	15.0
131.03500	37.3
132.03853	1.0
157.01414	14.2
159.57578	1.0
161.04539	4.5
175.02466	85.3
176.02809	2.7
193.03545	5.6
235.04556	23.8
337.07718	18.9
338.08176	1.2
355.08875	9.6
385.00522	1.1
397.09781	3.4
439.11029	1.4
453.08859	6.6
457.12021	1.2
471.09772	8.8
531.11914	17.2
532.12360	1.2
548.72406	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15577	1.3
59.01373	3.8
61.98830	100.0
71.49854	2.1
75.00873	1.2
78.95900	14.1
85.02976	1.6
96.36167	1.0
110.98546	10.7
113.02491	1.2
167.01155	9.6
185.02216	3.6
243.38089	1.3
249.06085	1.9
255.23340	1.7
277.21707	68.0
278.22037	2.3
279.23212	3.9
280.23621	4.1
362.19333	1.5
445.23593	38.7
446.24008	2.9
449.80862	1.4
519.15771	1.2
530.21307	15.7
530.30249	6.3
531.21582	1.9
543.37158	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	529.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98145	0.8
59.01374	11.8
61.98819	2.0
65.78422	0.6
67.39381	0.6
70.31606	1.8
71.01381	7.7
71.05007	0.8
72.99315	0.9
73.02930	0.9
82.80917	0.6
85.02954	2.0
86.10813	0.8
87.00899	0.8
89.02451	6.2
92.53699	0.6
101.02448	7.8
113.02433	3.7
119.03497	2.4
140.09557	0.7
153.10066	0.6
161.04611	3.6
161.05762	0.6
179.05647	1.4
179.14421	0.7
193.34563	0.7
195.13885	7.4
196.14255	0.7
200.80054	0.7
211.13498	0.9
223.13315	4.1
231.21222	1.0
235.17038	11.5
253.09267	31.9
254.09683	1.2
275.20135	21.4
276.20572	1.3
293.21222	100.0
294.21439	5.8
453.10495	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.353
Annotation	Guavanoic acid
Peak:m/z	Relative Intensity
57.03428	0.9
59.01380	5.0
70.97372	1.3
79.95734	0.9
81.03496	1.1
83.05024	0.6
96.96023	4.8
98.03716	0.8
99.04507	2.0
121.62343	0.6
137.56833	0.6
150.62650	0.7
174.18715	0.6
202.30162	0.5
237.01617	0.6
238.63040	0.6
329.50055	0.5
391.30286	1.2
407.33298	1.7
425.34674	1.1
437.30829	0.7
451.32306	3.5
467.35275	16.4
467.41925	0.9
468.35526	1.1
469.33252	2.5
481.02359	0.6
481.29266	0.6
483.35062	0.7
485.36371	4.6
502.73865	0.6
529.35480	100.0
530.35840	11.0
533.48920	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93554	0.4
57.03473	0.7
59.01380	8.1
69.71510	0.9
69.71918	1.6
71.01377	4.6
73.02947	0.8
76.14073	0.4
78.95923	0.4
83.01395	0.5
85.02965	1.6
87.00892	0.6
89.02452	6.1
97.83325	0.4
101.02449	6.2
113.02447	2.5
119.03472	1.3
143.03543	1.0
154.32739	0.4
161.04572	2.6
167.10777	0.4
171.10191	0.9
173.86349	0.4
179.05605	1.2
179.14404	0.9
195.12134	0.4
195.13905	9.2
205.12401	0.7
211.13274	0.5
223.13390	5.9
228.13693	0.9
253.09302	28.7
254.09633	0.5
256.13123	1.3
265.21899	0.6
275.20117	5.5
276.20496	0.6
293.21234	100.0
294.21548	5.3
378.09412	0.4
447.13150	0.7
472.78458	0.4
492.22318	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3016
Annotation	Kukoamine A
Peak:m/z	Relative Intensity
50.28222	1.1
55.59106	1.2
56.57714	1.2
57.03434	2.6
58.10931	1.3
59.01379	21.0
61.98551	1.4
61.98829	23.3
63.08748	1.3
68.99791	1.3
69.03454	1.5
69.22038	3.4
69.22448	8.9
69.44961	1.2
71.01025	1.2
71.01378	16.6
72.99316	7.0
73.02924	1.5
75.00869	20.9
78.95882	4.2
83.01363	1.3
85.02946	20.4
85.16501	1.4
87.00890	8.2
89.02383	1.7
95.01354	5.0
99.00883	10.7
103.00319	2.9
110.98473	1.4
113.02446	32.5
115.00336	1.9
117.01886	2.3
117.83011	1.3
129.01863	2.8
156.75565	1.2
167.01071	2.7
175.02396	4.2
205.07129	1.5
210.90219	1.4
231.05095	2.8
249.03789	2.2
249.06152	25.3
267.07123	4.5
272.49231	1.3
277.21738	16.5
279.23285	97.1
280.23514	5.4
325.97806	1.3
445.23492	9.5
511.28839	4.7
529.29755	100.0
530.20886	8.4
530.30017	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	529.265
Annotation	Pharboside E
Peak:m/z	Relative Intensity
52.20583	0.4
55.01872	1.2
57.03448	4.7
58.00590	0.6
59.01377	97.9
60.01705	0.8
61.98841	2.5
69.03458	2.0
69.30862	2.2
69.31285	1.6
70.98946	0.5
71.01382	25.5
71.05016	2.4
71.47688	0.5
72.99301	1.3
73.02944	30.4
80.96534	1.4
81.03448	0.6
82.96111	1.5
83.01383	8.7
83.05035	2.1
85.02947	6.6
87.00888	1.2
87.33057	0.4
89.02441	8.0
94.31551	0.5
94.98077	0.5
95.01376	1.3
95.05019	0.9
97.02943	0.9
97.06593	0.7
99.00865	1.8
99.04504	2.7
101.02439	26.1
107.05009	0.5
109.06584	1.0
111.08179	0.5
113.02445	9.8
115.00390	0.6
116.20140	0.4
119.03525	2.7
119.05032	4.3
123.08128	1.0
125.02438	2.1
129.05644	0.4
131.03493	1.7
133.01450	0.6
133.10226	0.9
135.04503	0.5
135.08078	0.6
143.03493	1.1
149.04456	1.0
155.10847	0.6
159.04526	1.0
161.04539	3.3
163.03967	3.6
179.05676	0.5
193.08678	1.1
201.16389	0.7
203.05557	0.5
207.10286	3.3
221.06752	0.6
227.17931	0.8
237.14935	0.5
245.19032	0.9
247.16905	0.6
263.16510	1.6
281.13974	4.9
289.18085	7.3
307.19128	38.8
308.19476	2.3
309.20813	0.6
323.09259	1.0
325.20087	0.8
367.21069	0.6
398.24142	0.5
410.45908	0.4
423.46143	0.6
444.51221	0.6
469.24420	3.6
487.25464	5.3
511.25589	3.2
529.18628	5.4
529.26465	100.0
530.18933	0.9
530.26685	8.9
540.02454	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2655
Annotation	Pharboside E
Peak:m/z	Relative Intensity
57.03448	4.3
58.00590	1.9
59.01382	79.0
61.98830	3.9
71.01390	9.6
71.50833	1.9
72.99304	16.1
73.02940	2.0
75.00867	4.0
83.01373	1.7
83.05016	2.2
85.02939	3.0
85.96922	1.5
87.00858	4.3
89.02461	2.4
99.04473	1.5
101.02445	3.9
113.02427	3.8
115.00374	4.8
129.09210	3.0
135.02994	1.9
152.90491	1.7
163.00377	3.7
163.11304	3.6
175.02495	2.9
181.12335	3.1
193.12311	1.9
222.28159	1.7
227.07091	2.1
306.26309	1.6
317.21332	2.1
319.18820	1.7
331.18970	1.9
333.20737	3.0
335.22308	2.4
367.21127	4.4
379.21521	2.2
381.22778	6.7
391.21030	2.8
393.22729	4.8
409.22357	5.6
411.23889	14.2
412.24393	2.1
422.44177	1.6
427.23282	11.3
439.23322	2.9
485.27356	7.6
529.26526	100.0
529.32758	4.2
530.26904	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	529.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	72.8
59.01377	91.8
64.04152	1.4
68.22525	1.4
69.03455	2.7
69.92274	2.7
69.92638	5.7
71.01379	36.0
73.02945	19.7
73.82146	1.3
75.00877	3.6
80.25080	1.4
81.03480	2.0
83.01383	6.1
85.02949	9.0
87.00877	2.7
89.02441	21.6
95.01384	2.7
96.96010	3.6
97.02972	2.4
97.06586	3.7
99.04514	100.0
100.04868	1.8
101.02433	42.2
109.02922	2.4
113.02446	20.7
115.00327	1.7
115.54930	1.7
119.03487	7.4
123.00880	4.0
123.04530	6.3
123.08192	2.3
124.01655	6.7
125.02437	71.6
126.02763	2.1
135.04527	2.3
137.02444	2.3
137.50264	1.2
138.06870	4.9
139.07597	1.5
141.03801	1.2
141.05608	1.9
143.03502	6.9
149.04518	2.7
149.99597	10.2
151.07661	6.5
152.08430	7.4
153.09213	30.9
154.56154	1.3
161.04552	15.7
161.05920	2.7
168.00650	22.2
169.01389	9.2
179.05608	10.1
203.03433	2.0
205.12343	17.2
206.12680	1.6
219.48019	1.6
221.06705	2.7
223.13416	7.2
233.09322	4.1
263.07654	2.5
277.08417	2.1
278.09082	4.2
279.10141	4.0
323.09827	4.5
367.17593	22.2
368.18021	2.2
385.18625	24.5
398.67102	1.3
421.43753	1.4
427.19705	8.0
455.11926	4.3
467.22858	1.3
480.17609	3.3
485.16913	2.1
485.24252	2.4
509.03180	1.4
512.20398	1.8
529.15540	37.9
529.22949	14.0
530.15771	6.2
530.22748	1.9
553.48163	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	3.4
57.55844	0.9
57.85091	1.0
59.01376	74.2
61.98817	3.0
71.01376	28.9
71.05008	1.6
72.99305	3.3
73.02937	13.0
75.63251	0.9
77.03963	3.0
78.91894	2.1
83.01357	4.0
83.05058	1.3
85.02950	6.6
87.00856	2.3
89.02425	5.0
89.03971	1.5
93.03446	1.3
93.94030	1.0
95.05017	4.1
98.19820	1.3
99.00864	2.7
99.04500	2.0
101.02441	13.0
101.14889	0.9
102.74880	0.9
105.03454	16.1
109.02914	1.3
113.02462	7.0
115.00372	18.5
119.03483	1.7
120.89655	0.8
121.02946	2.4
123.04483	2.7
125.02409	1.3
125.09689	1.5
133.01453	25.0
133.02950	99.1
134.03809	9.7
135.04489	1.4
137.02449	6.4
139.03954	1.6
140.56094	1.0
143.03546	1.3
149.02444	1.2
149.09663	3.5
149.53229	1.0
151.03975	1.1
151.07635	2.0
154.78836	0.9
155.10759	1.7
159.04478	2.0
160.01584	1.1
161.02397	3.7
161.04512	4.0
163.03917	2.7
176.04778	33.1
177.01918	79.1
178.02698	12.9
179.03384	1.3
191.03548	6.1
191.07117	38.8
192.07492	1.2
201.01859	4.3
217.05112	6.9
235.02708	7.6
235.06094	100.0
236.06496	5.5
249.56729	0.9
250.04713	2.6
263.16568	6.7
277.83633	1.1
283.96216	1.0
301.72958	1.0
307.19070	1.7
309.04053	1.5
323.22189	3.0
328.67908	0.9
367.07962	4.6
367.21198	2.3
369.09845	5.9
413.08725	51.0
414.09015	4.2
485.23755	16.2
485.34732	2.1
486.24179	2.2
487.25299	2.3
491.53549	1.2
511.25278	1.6
529.13147	4.4
529.26422	36.4
529.33911	3.5
530.26514	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	4.9
59.01389	9.8
61.98830	1.0
62.34041	0.6
69.03452	2.7
70.98659	1.3
71.01385	4.4
73.02947	5.7
78.73055	0.7
79.01892	1.1
81.03443	1.1
83.01369	1.9
85.02935	0.8
89.02411	1.8
91.81786	0.7
93.03434	0.7
95.01374	1.2
96.96021	1.3
97.02966	3.6
97.06586	6.0
99.04520	6.3
101.02451	3.5
107.01379	1.4
108.02168	0.8
109.02930	1.4
113.02448	1.5
115.00392	0.9
115.90374	0.6
119.05010	0.7
121.02925	0.9
123.00898	6.1
123.04487	2.2
124.00757	0.9
124.01665	18.6
125.02453	52.6
126.02794	1.0
133.01413	0.8
135.04468	1.4
137.02444	2.6
141.05574	2.5
147.04558	0.8
149.99591	28.2
151.00351	2.1
152.08517	0.7
153.09172	2.3
156.00572	0.7
159.04507	1.9
160.04811	1.2
161.02429	0.8
161.04510	1.2
161.06059	1.0
162.97394	0.6
163.04027	0.8
165.05540	0.6
167.03429	2.0
168.00645	55.8
169.01410	9.1
173.06102	0.7
174.01695	7.1
203.03447	1.5
205.05084	1.3
205.12273	1.1
215.09137	0.8
226.49849	0.7
279.10312	3.1
295.05005	0.6
313.05615	2.2
323.09387	0.7
328.88879	0.6
361.79022	0.7
367.08392	0.7
437.10809	0.8
455.11993	6.8
467.15518	2.6
485.16479	2.8
529.15570	100.0
530.15930	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	529.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21629	1.0
54.96021	1.1
57.03450	100.0
59.01382	62.0
61.98820	1.9
66.30800	1.0
69.42384	8.4
71.01385	20.2
71.01771	1.5
73.02944	11.9
81.03454	3.2
83.01383	4.3
85.02942	5.4
89.02435	5.3
95.01414	1.5
99.00905	1.7
99.04524	91.5
101.02438	29.3
113.02453	10.4
119.05019	17.7
119.11428	1.2
123.04476	1.5
125.02447	57.1
126.02786	1.5
143.03513	4.7
159.04523	2.2
161.04546	3.7
185.00952	1.3
281.10315	15.5
299.11386	3.7
319.06366	1.4
323.11398	30.8
324.11862	1.7
341.12378	13.6
342.12561	1.4
383.13400	2.9
424.24362	1.4
529.14264	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	4.7
59.01372	17.9
69.18465	17.1
69.18848	4.3
71.01385	21.6
72.99304	5.2
73.02933	4.0
75.00876	16.7
79.95733	2.0
80.96521	15.7
85.02943	29.0
87.00880	8.5
89.02441	4.3
94.98083	2.9
95.01400	8.3
98.19920	3.5
99.00873	13.2
103.00336	2.7
113.02449	39.9
115.21593	1.9
117.01943	3.5
146.91147	1.8
152.98619	2.2
164.98669	3.6
175.02466	4.9
205.07085	5.3
225.00748	3.5
231.04994	2.1
249.06094	8.7
266.15002	1.7
267.07236	11.8
277.21710	68.3
278.22092	3.5
444.94131	1.7
506.25381	1.8
509.27252	4.2
527.28882	100.0
528.29163	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	527.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38447	1.9
54.63234	2.0
57.03457	3.6
59.01384	14.7
61.98834	3.9
64.74422	2.3
69.92449	2.0
70.69587	4.5
70.69939	2.7
71.01369	2.5
71.05024	6.4
93.81629	1.8
97.02957	4.3
97.06587	3.9
99.00891	30.8
109.06607	3.0
125.09728	16.9
163.11331	14.8
165.12854	8.9
181.12323	36.4
181.80904	2.2
183.13914	85.6
199.13435	9.6
201.01920	3.1
202.83464	2.0
207.10284	45.3
225.11345	74.7
226.11626	4.1
227.12914	26.7
243.12369	44.6
270.44943	2.7
291.19717	3.8
299.14877	6.4
301.16702	11.3
317.16049	20.8
483.29526	6.4
509.27588	6.7
527.28656	100.0
528.28687	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	529.099
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44521	0.9
57.03436	3.0
59.01384	68.5
61.98817	2.7
68.30481	0.8
69.34613	1.7
69.35014	7.1
71.01391	28.1
71.04977	1.4
72.99309	2.8
73.02959	12.1
77.03950	2.5
78.91882	1.9
82.29582	0.9
83.01389	4.1
85.02957	6.1
87.00840	1.3
89.02457	6.5
89.03958	1.7
93.03463	2.0
93.32798	0.9
95.05037	5.2
96.78303	0.9
99.00893	2.1
99.04512	2.4
101.02441	11.8
105.03465	16.9
107.04963	1.1
109.06595	1.4
113.02449	5.7
115.00392	16.9
119.03515	2.2
121.02941	1.8
123.04524	3.3
125.09698	1.5
133.01472	26.7
133.02966	100.0
134.03835	9.1
135.04477	2.2
135.41806	1.0
137.02489	6.2
139.04005	2.0
139.07578	1.2
149.09767	2.7
151.07622	2.4
159.04494	1.2
161.02475	5.3
161.04547	2.7
163.03998	2.0
172.20461	1.0
173.02528	1.2
176.01306	1.1
176.04791	32.8
177.01941	83.3
178.02705	14.8
190.15594	0.9
191.03563	5.3
191.07146	38.1
192.07487	1.5
201.01924	3.5
217.05060	8.8
235.02702	7.7
235.06117	98.9
236.06516	3.2
250.04750	2.5
263.16489	6.2
279.02823	1.2
293.07999	1.1
323.22198	2.2
367.08102	4.6
367.21069	1.7
369.09799	5.6
413.08774	49.6
414.09103	3.3
443.22891	1.5
467.33353	1.2
485.23862	18.4
485.34552	2.0
486.34949	1.8
487.25177	2.1
511.25143	1.4
528.36438	8.4
529.14325	5.9
529.26447	28.7
529.34113	3.1
534.69830	1.2
541.71655	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77852	1.2
53.95288	1.5
59.01373	14.8
59.52012	1.3
69.65354	1.4
70.16637	2.7
70.17011	3.0
71.01385	15.5
72.99313	7.0
73.02938	1.9
75.00877	17.4
82.32341	1.2
85.02953	19.3
87.00876	9.4
89.02430	3.9
91.42009	1.4
95.01389	5.4
99.00890	11.5
103.00362	1.9
113.02456	31.1
115.00362	2.6
117.01920	3.0
175.02435	4.0
229.53123	1.4
231.05078	4.1
249.06187	22.5
267.07196	3.3
277.21719	85.6
278.22003	3.9
290.98514	1.6
474.67560	1.5
509.27429	3.7
527.28619	100.0
528.28943	12.2
546.61926	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17699	0.5
53.86840	0.5
57.03436	0.8
59.01377	5.4
59.92510	0.4
60.06167	0.4
61.98822	3.2
63.96220	0.6
69.03440	0.8
69.39182	3.8
71.01385	7.9
73.02941	2.9
78.98591	5.2
79.95734	8.2
80.96512	57.5
81.03477	0.5
85.02947	2.3
86.56391	0.5
87.00890	2.4
87.04459	0.7
89.02406	0.7
94.98080	14.4
96.96012	0.9
97.02941	1.7
97.06543	0.6
97.72132	0.4
99.00857	0.7
99.04530	0.8
101.02431	3.7
106.98077	2.6
113.02422	1.3
122.97598	3.0
125.02419	2.6
127.04001	0.6
134.97578	3.7
136.22430	0.5
136.99130	2.1
148.99133	4.9
150.03195	0.7
152.98640	5.3
155.10799	0.6
158.04897	0.5
164.98625	11.0
165.05540	0.6
165.12859	0.6
183.13882	4.7
206.99706	2.2
211.51059	0.5
225.00729	16.7
299.04373	2.1
305.17761	0.6
365.19470	0.7
483.18842	1.2
527.17993	100.0
528.18243	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	527.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22231	0.6
57.03421	0.6
57.05123	0.6
58.10762	0.5
59.01117	0.6
59.01379	8.2
61.98829	7.5
63.28264	0.5
63.96220	0.8
69.03471	0.7
69.97852	2.8
71.01377	10.0
73.02946	4.0
77.63805	0.6
78.98599	4.8
79.95729	8.3
80.96514	52.6
81.03451	0.6
83.01357	1.2
85.02940	2.0
86.52043	0.6
87.00867	2.1
87.04498	0.9
89.02426	0.7
94.98084	13.2
96.95979	1.1
97.02937	1.3
99.00875	1.2
99.04533	0.9
101.02442	5.8
106.98079	2.1
107.04967	0.8
113.02438	1.8
119.04983	0.6
121.02962	1.5
122.97591	5.0
123.04485	1.1
125.02412	3.5
132.55305	0.6
134.97601	4.4
135.04532	3.4
136.99159	1.1
137.09743	0.7
139.03987	1.6
148.99150	4.6
152.98676	4.9
155.10773	3.9
161.02400	0.7
161.04568	1.4
164.98610	10.8
165.05540	1.7
165.12843	0.9
177.01930	1.8
179.10886	0.7
182.99628	1.6
183.13870	4.8
199.09784	0.9
206.99588	2.9
225.00726	17.2
227.13016	0.6
241.10808	0.9
243.01727	1.8
245.15419	0.9
247.62267	0.7
263.93338	0.8
299.04315	1.6
305.17422	0.6
336.44336	0.6
347.97177	0.6
374.06805	0.6
376.85590	0.7
387.16388	0.6
479.19147	1.1
509.20071	2.1
527.17981	100.0
528.18317	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	527.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81117	3.3
57.03443	4.4
59.01374	100.0
69.53559	22.7
71.01376	27.1
73.02947	43.9
75.14919	3.6
81.13782	3.2
83.01363	9.6
85.02944	8.4
86.67953	3.4
89.02464	8.6
96.96011	3.4
97.02956	3.6
97.06591	7.5
97.98466	3.3
99.04516	4.8
101.02422	34.9
108.02235	4.2
109.02934	3.8
113.02427	7.8
119.03477	3.6
123.04514	68.2
133.06595	9.5
139.07655	6.4
141.05630	7.8
143.03468	4.9
149.06085	3.5
152.01154	12.7
154.84563	4.1
159.04553	6.9
161.02443	41.5
161.04550	8.7
167.03488	30.0
190.48717	3.4
205.12259	5.7
215.09088	3.2
217.12196	7.9
285.51633	3.6
313.12918	7.4
321.07596	5.1
331.13867	6.5
359.13321	5.9
372.13928	16.3
373.14838	5.1
396.60284	3.6
400.67001	3.9
483.18683	50.4
527.17401	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	527.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12811	0.3
50.89478	0.4
55.01867	0.4
57.03447	16.6
59.01379	10.6
61.66487	0.3
61.98824	1.4
69.03400	0.3
71.01382	3.1
71.45034	0.4
72.99297	0.6
73.02952	1.4
81.03474	0.4
83.05029	0.7
85.02526	0.3
85.02937	1.9
87.00873	0.9
89.02448	0.7
91.12840	0.4
93.03455	43.0
94.03796	0.8
95.01398	0.5
96.34123	0.3
99.04523	7.3
101.02438	4.0
103.20781	0.4
106.06652	0.5
109.02953	0.3
111.08167	0.4
113.02457	1.4
115.00345	0.9
123.08193	0.4
123.50846	0.3
125.02443	6.0
133.01419	0.6
135.04527	0.9
136.07669	0.4
137.02441	100.0
138.02760	2.4
138.72655	0.4
159.04518	0.7
161.02481	0.3
177.01927	0.5
179.03548	0.4
191.05609	0.6
203.03308	0.4
221.08034	0.4
317.61261	0.5
365.12418	2.6
383.13443	15.4
383.18420	0.7
384.13815	0.7
425.14462	2.9
459.18661	0.3
483.33539	1.2
526.34259	0.7
527.32813	0.8
550.22809	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51633	1.0
54.58909	1.1
57.03419	2.0
59.01382	5.9
59.01611	1.1
61.96724	0.9
69.03424	1.2
69.41221	2.3
69.41621	5.8
71.01361	3.2
73.02951	9.0
75.00864	1.8
80.40461	1.1
85.02938	1.8
86.39072	1.0
87.04506	4.3
95.05025	1.9
97.02939	1.7
97.06581	12.5
99.04507	1.5
101.02416	2.5
103.05531	2.0
104.57302	1.1
108.01472	2.2
108.02169	25.1
109.02945	2.4
111.04465	1.4
113.02438	2.0
115.00362	1.8
116.42474	1.0
121.06564	3.0
123.04526	26.2
125.02449	1.2
130.04211	6.8
131.04970	1.3
132.38632	1.2
133.02931	2.1
134.03722	1.5
135.04517	13.2
137.02470	1.2
139.07600	2.9
141.05585	12.2
149.06049	3.1
152.01151	53.8
153.09224	1.7
159.03226	2.0
159.04514	36.3
160.04875	1.9
161.01141	1.7
161.02440	25.7
162.45457	1.1
165.05589	2.5
167.03493	100.0
168.03790	3.0
179.03465	1.9
183.06595	1.9
193.05035	1.8
203.03503	34.5
204.03757	2.2
213.07625	2.5
215.09221	6.1
299.11456	1.7
321.07449	1.5
359.13391	8.3
467.43976	1.1
467.50763	1.0
527.18152	6.6
528.20178	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	527.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36866	0.8
55.01881	1.3
59.01374	6.0
69.39014	1.9
69.39420	6.0
71.01382	9.7
73.02949	39.2
75.00880	3.4
79.05535	3.1
80.13808	0.8
81.03461	1.9
83.01395	1.2
84.27174	0.9
85.02937	6.8
87.04534	2.5
89.02454	1.6
93.03458	1.9
95.01390	1.2
95.05029	4.8
97.02943	1.4
97.06590	38.5
98.06937	1.0
99.00878	1.0
99.04523	1.9
101.00323	0.8
101.02425	5.6
103.00356	2.0
108.02173	8.8
109.02955	5.2
111.34628	1.0
113.02450	7.6
119.05031	6.5
121.02996	2.2
121.06637	1.4
122.03739	22.6
123.04524	100.0
124.04871	1.9
125.02545	0.9
130.04282	1.6
135.04541	1.6
137.02469	3.7
138.01601	0.9
139.07663	1.4
141.05583	36.1
141.06693	2.0
143.03528	1.0
147.83218	0.9
149.02414	2.4
149.06091	1.3
150.39363	1.0
152.01146	1.0
153.09233	4.2
159.04503	15.2
161.04553	6.2
163.04034	5.9
165.05615	2.1
167.03560	1.5
173.02422	0.9
174.03258	1.7
174.27907	0.8
180.06645	1.1
189.05623	2.1
200.98692	1.0
201.01913	6.0
203.03537	5.6
215.09276	2.2
233.04497	2.9
245.15518	0.9
285.09900	3.6
363.02466	1.0
409.15338	1.0
453.14160	3.2
465.17670	2.6
483.18674	19.8
484.19321	1.6
509.16727	4.4
527.17816	50.2
528.17670	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	527.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	3.1
61.39176	0.3
61.98825	0.5
70.62644	0.7
71.01378	4.2
73.02946	1.7
85.02954	3.3
89.02440	2.1
95.01408	1.5
97.06601	1.0
99.00906	0.3
101.02442	1.6
102.04765	0.6
103.00330	0.4
103.05531	2.8
113.02451	8.4
119.03551	0.7
120.87442	0.3
122.03738	0.3
123.04524	2.2
130.04243	11.9
131.05008	1.3
135.04449	0.5
141.05551	0.6
143.03500	0.6
149.06068	6.0
153.09146	0.3
159.04507	100.0
160.04854	3.0
161.02505	0.4
161.04565	1.9
175.04088	0.3
179.05579	0.6
201.01904	0.8
203.03494	66.4
204.03810	2.8
212.23540	0.3
245.15475	0.7
312.66525	0.3
366.66006	0.3
369.59537	0.3
483.18622	0.7
522.21924	0.4
527.13739	8.5
528.14417	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	6.2
71.00610	0.4
71.00996	0.4
71.01381	6.5
71.55334	0.3
73.02936	0.9
75.84460	0.3
84.46075	0.3
85.02946	0.9
87.00880	1.0
89.02444	6.8
89.27753	0.4
95.01406	0.4
99.76615	0.3
101.02446	5.4
101.46489	0.3
102.04740	0.4
103.05531	1.9
113.02457	2.9
115.05538	0.4
117.57661	0.3
119.03512	3.0
125.02392	0.3
130.04240	11.2
131.03488	0.9
131.04970	1.3
143.03526	1.1
149.06085	5.4
159.04509	100.0
160.04837	3.9
161.04579	2.1
179.05597	5.7
191.03934	0.3
203.03494	37.1
204.03773	1.6
221.06650	4.1
346.68265	0.4
409.73526	0.3
457.21866	0.4
490.90540	0.3
527.14136	10.6
527.22162	0.7
528.14258	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.214
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	39.2
60.01712	1.0
61.98829	100.0
69.24812	2.9
69.25243	2.8
71.01368	4.8
72.16622	0.6
73.02952	1.3
85.02985	1.3
87.04513	27.7
89.02450	1.5
95.01455	0.7
99.00872	0.9
101.02473	2.5
113.02480	2.0
119.03529	0.7
161.04633	1.2
293.59674	0.7
307.17633	1.3
313.76227	0.7
325.54230	0.7
377.21936	2.3
419.22955	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	526.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	39.2
60.01716	0.9
61.98828	100.0
62.88931	0.5
65.90887	0.5
69.51884	3.6
71.01384	2.1
73.02941	1.6
78.63769	0.5
83.01414	0.5
85.02962	0.8
87.04514	25.8
89.02458	1.1
101.02451	1.7
106.47248	0.6
113.02458	1.1
120.46564	0.5
140.73926	0.5
166.25386	0.5
207.37543	0.6
214.89964	0.5
230.50151	0.5
235.98013	0.6
243.12547	0.5
331.43207	0.6
338.79752	0.6
377.21790	1.0
480.96545	0.7
511.80661	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.2
69.25638	0.3
69.54914	2.3
71.01383	5.6
72.99302	0.4
73.02957	1.2
83.01378	0.6
85.02956	1.1
87.00881	0.4
88.43623	0.4
89.02448	6.8
95.01395	0.5
98.19949	0.8
101.02445	3.4
102.04808	0.4
103.05547	1.8
113.02436	3.2
119.03520	2.4
125.02456	0.5
129.01949	0.8
130.04248	9.5
131.03516	1.0
131.05014	1.5
141.39844	0.4
143.03490	0.9
149.06090	4.7
159.04517	100.0
160.04846	3.6
161.04572	1.7
179.05612	6.0
195.50089	0.4
203.03514	44.1
204.03777	1.5
207.28661	0.4
221.06667	6.6
281.08588	0.6
311.06094	0.3
527.13953	14.7
528.14307	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	525.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
61.98831	10.1
69.16994	21.4
69.17397	5.7
69.56572	3.3
71.01385	38.9
72.99320	3.8
73.02951	36.2
74.58978	2.6
83.01397	10.4
85.02956	10.7
87.00883	4.7
89.02453	14.9
95.01408	3.1
95.43980	2.5
101.02444	34.7
113.02444	11.5
119.03498	4.9
121.02921	3.2
123.36043	2.8
131.03499	4.4
135.04546	11.5
136.04872	6.6
143.03491	3.5
153.27637	2.5
153.29108	2.5
155.10768	3.2
161.02449	15.7
161.04608	6.9
170.45027	3.0
179.03554	6.0
180.03947	3.1
432.15625	3.2
481.17197	34.1
482.17419	3.8
525.28546	16.8
526.18506	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	526.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.0
61.98845	4.5
69.32980	18.0
71.01349	2.3
72.26646	1.9
72.99274	3.6
73.02955	2.0
74.05737	1.9
89.19209	2.0
109.13096	2.2
121.03008	2.2
129.33943	2.0
130.04160	2.6
135.04541	3.1
151.00328	9.8
159.04506	8.4
163.00417	2.5
167.03525	3.8
178.99872	4.7
179.78377	2.2
185.16907	2.5
203.03525	8.0
211.04190	1.9
243.02956	8.6
245.04485	2.7
255.00909	2.2
255.03012	21.9
271.02515	46.1
272.03049	3.9
299.99390	4.4
300.02771	87.9
301.03479	42.6
308.44168	2.5
463.08881	100.0
464.09058	7.7
525.33148	2.5
526.33673	2.7
527.13153	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	524.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01136	0.6
59.01382	5.7
61.98830	4.2
71.01382	4.3
71.49940	0.8
71.50295	0.8
72.99297	0.6
73.02941	1.5
75.00877	3.6
85.02990	0.9
87.04523	0.7
94.06628	2.9
97.02953	0.6
101.02416	1.8
106.06610	1.7
107.03773	4.5
115.00327	1.3
121.22659	0.6
121.40332	0.7
122.05220	1.1
122.06117	24.0
122.91985	0.7
124.07679	1.6
132.04565	2.8
134.06125	5.7
135.04518	1.3
137.02411	1.3
139.02748	1.7
148.03975	0.7
150.05589	1.2
152.07166	46.3
153.07442	0.7
155.10757	6.9
158.02533	0.8
160.04027	2.3
161.02449	1.3
163.03995	0.9
166.04993	0.7
176.03511	2.3
179.03496	1.2
181.05034	0.7
190.05069	4.5
191.05759	0.8
196.11218	0.7
199.09813	5.4
211.12346	0.7
212.10963	0.7
213.06746	0.7
215.11845	1.2
223.08713	1.9
224.09564	2.2
226.07545	0.9
227.08308	1.5
237.10208	1.0
239.08205	1.4
239.11893	8.9
240.10327	0.9
241.09900	2.1
251.11954	1.5
253.06213	2.3
255.07889	0.8
255.11331	2.5
261.15237	0.8
265.06015	0.8
265.09863	1.3
267.07706	2.2
268.08527	2.2
271.11191	1.1
274.15170	0.8
279.07462	0.6
280.08438	2.6
281.09247	2.0
282.09787	1.0
283.10861	25.4
284.11093	1.6
292.16333	0.8
293.09430	0.8
295.10867	8.7
297.12204	0.9
301.12836	0.9
307.11115	0.8
309.08646	1.0
312.11124	0.9
315.13467	2.1
317.04398	0.7
323.10187	1.1
327.09875	0.9
327.13293	1.3
335.05548	2.0
339.09790	0.9
341.11371	1.8
361.15091	3.1
364.18365	2.7
365.10321	10.7
407.17538	0.7
408.17569	1.2
420.19171	2.8
448.18726	7.6
449.19025	1.2
464.18332	1.1
474.16632	1.3
480.21341	1.4
492.17764	15.5
493.18027	1.4
496.20743	2.5
506.19128	2.5
507.18481	1.2
523.34528	2.7
524.20337	100.0
524.33759	3.3
525.20612	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	524.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93184	0.6
55.92676	0.6
57.03403	0.8
59.01376	4.1
61.98825	3.7
66.33444	0.7
69.32944	2.2
69.33371	3.2
71.01366	4.4
73.02931	1.1
74.65356	0.7
75.00880	4.7
93.89050	0.7
94.06613	2.6
96.95919	0.7
98.19847	1.1
101.02438	2.4
106.06625	1.8
107.03747	4.9
113.02462	1.3
115.00368	1.9
122.06126	25.6
122.74787	0.6
123.06504	0.9
124.07675	2.7
126.92003	0.6
132.04559	4.0
133.01450	1.5
133.02908	0.6
134.06123	5.9
135.04486	1.6
137.02432	1.6
137.09717	1.5
139.02765	0.9
148.04166	0.7
150.05609	1.6
152.07178	44.4
153.07486	1.5
155.10776	6.4
158.02403	0.9
160.04056	2.1
161.02423	2.2
162.05569	1.0
163.03960	0.8
164.03519	0.8
166.05090	0.9
176.03474	2.0
176.04828	0.8
179.03485	0.8
190.05099	4.0
191.05841	1.0
199.09785	5.2
211.12495	1.0
212.10780	0.9
215.11845	2.1
223.08621	1.1
224.09564	2.0
227.08208	0.9
237.10329	0.7
239.08156	1.7
239.11887	9.0
241.10010	1.5
251.08223	1.0
251.11914	2.3
253.06178	2.5
253.09848	1.7
254.06966	1.2
255.11398	2.6
265.09698	1.8
267.07687	2.6
267.11279	1.2
268.08524	2.1
271.11783	0.8
274.15207	0.8
279.11392	0.8
280.08557	3.3
281.09201	1.4
283.10873	24.7
284.11200	2.2
287.10367	0.8
295.10818	8.4
296.11539	1.1
297.12390	0.9
299.10211	0.9
301.13019	1.5
309.08765	1.6
309.12271	1.3
312.11072	0.8
313.11795	1.1
315.13571	1.8
317.04337	1.0
319.06039	1.3
327.09720	0.8
327.13306	1.2
335.05518	1.3
341.11307	2.4
361.15045	2.4
364.18320	1.8
365.10269	10.6
420.19370	1.8
430.17700	1.2
438.15640	0.7
448.18799	6.9
464.17975	1.3
474.17212	0.8
480.20966	1.0
492.17746	13.6
493.18005	1.4
496.20914	2.5
506.19418	1.5
523.34613	2.3
524.20349	100.0
525.20740	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	524.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14999	1.9
59.01116	2.2
59.01381	27.5
61.98833	12.3
64.21275	2.1
65.63874	1.9
68.69588	2.2
69.17236	19.4
71.01367	8.9
73.02926	3.2
74.42432	2.3
75.00864	11.3
80.05031	7.5
87.04501	2.3
89.02416	3.8
91.32259	2.1
94.06583	3.3
96.95981	3.4
101.02410	5.0
101.16064	2.2
106.05972	3.6
106.06630	44.1
108.04523	7.6
108.08164	5.2
109.02925	5.9
119.05022	2.4
122.05339	3.0
122.06116	37.9
132.04503	3.7
134.06131	13.0
134.09750	5.0
135.04475	2.9
148.04016	3.5
150.05566	9.8
152.07162	23.5
155.10805	10.1
160.04039	34.7
161.04616	3.6
162.05632	11.4
163.03967	2.6
166.05080	3.5
176.07091	7.0
178.04976	8.3
180.06593	9.8
199.09702	4.4
200.10033	2.9
211.08678	8.1
225.10257	3.7
227.11826	11.8
229.01312	3.5
229.09795	3.5
239.08162	3.8
240.10345	2.6
241.09814	16.8
241.13722	2.4
242.10036	2.5
252.08905	3.6
253.09837	12.6
255.11049	2.7
257.13013	12.2
267.11316	12.6
269.10785	1.9
269.12952	18.4
277.09702	3.8
283.11569	2.6
295.10916	14.0
301.11938	35.7
301.88083	2.2
302.12161	3.5
311.10379	12.7
313.11935	70.7
314.12256	2.2
319.12918	6.4
327.30368	2.3
339.09763	10.3
345.10864	3.3
355.09317	2.6
357.10907	4.4
444.15881	3.2
462.16760	21.8
471.41986	2.7
480.17834	37.8
481.17953	5.2
506.15640	34.7
507.16074	4.2
509.21902	2.7
524.16461	100.0
524.28485	4.6
525.16968	9.4
525.32861	6.3
548.88947	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	524.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07377	0.4
55.92428	0.4
57.03453	0.8
59.01371	6.1
59.06356	0.4
60.87852	0.4
61.98827	100.0
71.01383	1.7
71.51054	0.6
72.31168	0.5
72.99290	0.4
73.02962	1.2
75.00864	3.2
79.70943	0.5
83.05059	0.6
85.02921	0.6
89.02476	0.5
99.04523	0.7
101.02448	1.2
109.02979	0.7
110.03322	0.6
113.02422	0.7
114.14303	0.4
115.00395	0.9
122.06203	0.5
135.04524	5.0
136.04861	1.7
139.41541	0.5
155.10788	1.2
174.03198	0.8
178.10664	0.5
179.03497	1.4
181.05025	0.7
199.09789	1.1
211.13451	0.7
219.13963	1.0
229.08745	1.7
230.09102	1.1
283.11917	0.8
316.73026	0.5
324.23242	0.5
345.16855	0.7
346.17493	1.6
350.79758	0.6
408.17349	0.5
437.92004	0.5
480.17233	0.8
523.34753	4.9
524.18219	1.5
524.27759	0.7
524.35236	2.0
525.19684	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.10229	1.0
61.98819	3.2
70.13197	5.5
71.01385	6.6
73.02953	6.8
85.02927	1.4
100.32509	1.2
101.02425	3.3
113.02409	1.9
129.01227	1.2
133.01494	1.5
133.64409	1.3
141.93510	1.3
143.03419	1.4
152.89456	1.2
163.11104	1.4
170.57745	1.3
185.09631	1.7
199.07654	1.2
215.10802	2.0
244.99004	1.4
247.09752	3.3
256.62527	1.4
259.09708	11.0
265.10706	1.7
294.78912	1.2
301.10837	2.0
331.89783	1.3
467.66498	1.5
479.33597	2.0
523.33252	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	523.1818
Annotation	Verbenabraside A
Peak:m/z	Relative Intensity
53.01714	0.4
57.03442	1.1
58.00601	0.6
59.01381	9.0
61.98827	2.0
71.01380	6.6
71.50787	0.4
72.99300	0.8
73.02946	3.1
75.00874	2.3
76.78635	0.4
83.01389	0.9
83.05045	1.0
85.02946	3.5
87.00880	0.8
87.04515	4.4
88.91083	0.3
89.02446	2.2
95.01385	0.6
97.02964	1.3
99.00886	0.8
99.04534	0.6
101.02454	5.0
102.08917	0.3
106.06594	0.4
107.05034	3.1
111.08186	0.6
113.02472	2.7
115.00367	0.8
116.71687	0.3
119.03517	0.5
121.06596	0.3
124.25992	0.4
125.02430	0.7
125.06097	0.7
133.01424	0.9
133.02946	0.6
134.03772	3.4
135.04535	100.0
136.04875	3.5
137.02472	0.5
137.06082	0.5
137.09714	3.3
139.07745	0.4
139.11290	0.4
155.10789	16.2
156.11023	0.4
161.02492	0.5
161.04620	0.9
163.04022	0.4
167.10793	0.8
169.12363	1.0
179.03546	2.8
179.10756	1.8
180.21516	0.4
181.08676	1.3
184.10802	0.3
187.04062	0.6
191.10823	1.0
193.12424	0.4
195.10283	1.1
197.11755	0.3
199.09752	19.0
200.10109	0.9
209.11917	0.4
213.11237	0.9
222.13043	0.4
223.09705	0.7
225.11299	0.9
237.11351	0.6
241.10802	5.8
253.10860	1.4
255.12367	1.6
279.55600	0.4
283.11856	9.8
284.12360	0.6
327.16248	0.5
343.13974	4.5
343.24887	0.9
345.17035	1.6
361.25735	1.2
361.29666	2.5
363.18134	1.0
368.45340	0.4
375.27475	1.0
407.17273	0.9
479.19257	5.6
480.19635	0.5
523.18268	5.6
523.34668	8.4
524.18530	0.7
524.36169	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1764
Annotation	Xanthorrone
Peak:m/z	Relative Intensity
52.71251	0.7
58.94748	0.6
61.10711	0.7
65.95806	0.7
69.47874	2.8
69.48285	1.4
76.32517	0.7
78.95898	82.6
84.71352	0.7
91.33089	0.6
94.14498	0.8
98.20584	0.8
98.98370	0.8
99.91980	1.4
99.92580	16.5
100.92646	0.8
100.93332	1.6
102.34908	0.7
102.35655	0.9
105.36948	0.7
109.23845	0.6
110.98522	12.2
115.92073	29.5
116.92122	1.1
116.92856	18.5
118.02537	0.8
119.02512	0.7
122.62936	0.7
132.92374	1.2
145.40251	0.8
150.97993	1.5
155.95192	2.1
163.89705	1.8
164.99550	2.5
167.01141	0.9
172.95444	1.0
178.88402	20.3
179.89211	38.5
180.90057	11.3
181.90739	2.5
193.90761	43.1
194.87901	2.7
194.91553	23.3
195.91931	1.0
196.89462	43.2
197.89441	1.5
210.91020	1.0
219.92401	1.0
235.91974	0.8
236.92593	1.9
248.92558	2.8
249.93321	2.8
250.94119	2.2
255.23341	5.6
266.93613	3.4
284.64493	0.8
305.27130	0.7
307.72842	0.8
310.36566	0.8
320.23981	0.7
346.72003	0.7
355.15659	1.3
368.84128	0.7
371.15063	1.6
411.18365	5.7
475.15488	2.3
505.16379	1.9
523.17639	100.0
524.17932	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	521.333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.4
57.03447	3.6
58.00583	1.2
59.01380	23.5
61.98819	0.7
66.03085	0.3
69.03455	1.1
71.01379	12.1
71.08516	0.5
72.99312	1.4
73.02934	0.8
83.01386	0.9
83.05057	0.3
85.02966	2.2
87.00877	0.8
89.02443	10.1
95.01394	0.6
99.04463	0.3
101.02440	8.3
113.02441	3.8
119.03506	3.8
126.72075	0.3
132.12289	0.3
143.03482	0.5
219.99585	0.3
251.23782	6.8
255.33163	0.3
265.25369	1.3
267.23291	8.1
268.23630	0.5
281.24954	0.3
292.05899	0.3
292.09598	0.3
313.27588	2.0
316.38943	0.3
316.88876	0.3
325.88730	0.3
335.15744	0.3
341.22852	0.5
341.26959	9.2
342.27353	0.5
343.28528	0.8
359.28003	10.6
360.28305	0.7
521.33282	100.0
522.25793	0.5
522.33594	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	522.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26079	0.4
55.50953	0.4
59.01382	2.1
61.98829	100.0
69.03426	0.5
71.01380	0.9
71.79967	0.4
74.37661	0.4
96.95992	0.5
98.19905	1.3
101.02475	0.5
115.39555	0.5
135.04587	0.9
142.12192	0.5
265.61102	0.5
280.77222	0.5
311.02032	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25767	0.9
61.98832	4.6
64.55606	0.7
69.69666	3.0
69.70072	1.3
78.95898	84.1
81.05904	0.8
98.19902	1.3
99.92582	19.3
100.92593	1.3
100.93319	1.2
110.98524	14.5
115.92074	31.3
116.92104	0.9
116.92847	18.2
119.75367	0.7
150.98018	1.9
155.95163	2.6
156.32265	0.8
162.88826	0.9
163.89752	1.6
164.90530	1.0
164.99533	2.7
167.01151	1.7
178.88409	18.9
179.89209	38.6
180.90039	12.9
181.90781	2.5
193.90762	49.0
194.87871	2.7
194.91556	24.2
196.89473	47.0
197.89449	2.0
211.91603	0.9
218.91483	1.7
219.92264	1.4
236.92632	2.3
248.92711	3.9
249.93330	4.7
250.82104	0.8
250.94130	0.9
255.23242	9.9
266.93604	3.9
355.15704	1.2
371.15381	1.7
411.18405	6.5
423.25220	3.0
461.22534	0.8
475.15521	3.0
500.15424	0.9
505.16937	1.2
523.17651	100.0
524.17932	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	521.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.7
57.03430	1.2
59.01380	12.8
65.78481	0.3
70.86403	0.8
71.01010	0.6
71.01382	8.3
72.99336	0.7
73.02960	1.7
76.76906	0.4
83.01369	1.5
85.02955	3.2
87.00882	0.6
89.02442	4.9
95.01396	0.9
99.00859	0.6
101.02441	4.9
113.02467	3.0
119.03491	1.0
195.05170	0.4
257.20428	0.3
295.22842	1.0
311.25766	0.6
313.23837	2.8
341.26904	10.5
342.27325	0.7
357.26663	0.6
359.28009	28.2
360.28268	2.2
503.32104	1.0
521.33258	100.0
522.33630	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	521.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69045	1.0
55.01872	1.5
56.18745	0.9
57.03447	1.5
58.00576	3.4
59.01382	100.0
59.58641	0.9
60.01704	1.4
61.98827	1.1
71.01384	57.1
72.01736	1.1
72.99298	3.8
73.02949	6.0
75.00878	2.3
83.01379	2.7
83.71429	1.0
85.02946	11.2
87.00877	3.9
89.02448	73.2
95.01383	5.4
99.00899	1.0
101.02450	35.9
101.03111	2.0
108.02110	1.2
109.02963	2.9
113.02456	26.5
114.02796	1.0
115.00401	2.0
119.03506	33.0
119.79124	0.8
121.02945	3.1
122.03774	0.9
123.04519	2.6
131.03467	2.6
135.04503	4.8
139.42122	0.9
143.03500	6.7
147.60608	1.1
149.04541	2.1
150.05542	1.3
151.04056	1.1
159.04486	3.2
160.05327	5.7
161.04539	5.0
161.05991	1.8
164.04730	1.3
171.04491	1.0
172.05263	2.8
173.06041	2.5
175.03902	1.1
175.07637	3.9
179.03484	1.5
179.04007	1.3
179.05620	12.9
189.05595	6.7
190.06377	7.4
196.67525	1.0
205.08716	4.2
281.08261	1.9
296.10492	3.6
299.13885	2.0
311.12854	3.6
326.11594	1.3
329.13760	1.9
341.13922	24.5
342.14163	1.4
348.90500	1.0
392.94199	1.0
461.27362	2.7
477.23425	3.6
521.19379	4.6
521.26447	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	521.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69045	1.0
55.01872	1.5
56.18745	0.9
57.03447	1.5
58.00576	3.4
59.01382	100.0
59.58641	0.9
60.01704	1.4
61.98827	1.1
71.01384	57.1
72.01736	1.1
72.99298	3.8
73.02949	6.0
75.00878	2.3
83.01379	2.7
83.71429	1.0
85.02946	11.2
87.00877	3.9
89.02448	73.2
95.01383	5.4
99.00899	1.0
101.02450	35.9
101.03111	2.0
108.02110	1.2
109.02963	2.9
113.02456	26.5
114.02796	1.0
115.00401	2.0
119.03506	33.0
119.79124	0.8
121.02945	3.1
122.03774	0.9
123.04519	2.6
131.03467	2.6
135.04503	4.8
139.42122	0.9
143.03500	6.7
147.60608	1.1
149.04541	2.1
150.05542	1.3
151.04056	1.1
159.04486	3.2
160.05327	5.7
161.04539	5.0
161.05991	1.8
164.04730	1.3
171.04491	1.0
172.05263	2.8
173.06041	2.5
175.03902	1.1
175.07637	3.9
179.03484	1.5
179.04007	1.3
179.05620	12.9
189.05595	6.7
190.06377	7.4
196.67525	1.0
205.08716	4.2
281.08261	1.9
296.10492	3.6
299.13885	2.0
311.12854	3.6
326.11594	1.3
329.13760	1.9
341.13922	24.5
342.14163	1.4
348.90500	1.0
392.94199	1.0
461.27362	2.7
477.23425	3.6
521.19379	4.6
521.26447	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	521.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49809	0.1
59.01377	5.0
61.98828	0.6
64.56136	0.1
70.26240	0.5
71.01374	1.1
73.02940	0.4
74.89457	0.2
81.03466	0.5
83.01392	0.2
85.02937	0.4
89.02451	0.5
89.03969	2.3
94.61840	0.1
95.05045	0.2
101.02452	1.0
104.02634	0.2
105.03455	3.4
105.04105	0.2
113.02449	0.4
118.42833	0.2
121.03055	0.2
123.04517	1.0
130.11012	0.1
133.02953	8.9
134.03288	0.2
148.01697	0.2
149.02431	0.8
149.77803	0.1
153.05591	1.1
155.10770	1.2
159.04498	0.2
161.04619	0.2
165.01947	0.4
174.36156	0.1
176.01152	0.7
177.01921	100.0
178.02255	3.1
179.10657	0.2
199.09731	0.4
201.57405	0.2
241.05092	0.2
241.10901	0.2
256.80191	0.2
299.05539	0.8
341.27032	0.3
346.24265	0.2
359.28058	1.0
401.25021	0.2
521.16565	7.5
521.33295	4.6
522.17004	0.7
522.33203	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.7
59.01381	6.8
64.47766	0.6
65.50233	0.5
67.94968	0.5
69.13623	2.7
69.14064	2.4
71.01389	4.8
72.99303	0.7
73.02944	2.1
83.01389	0.5
85.02943	1.8
86.03181	0.5
89.02456	0.9
90.21712	0.4
95.01395	0.6
98.19928	1.1
99.00871	0.6
101.02430	1.5
109.02977	0.5
111.18887	0.5
113.02455	2.1
113.68881	0.4
121.02944	4.9
122.03717	1.4
123.00860	1.0
123.04565	0.8
124.01608	0.5
134.03697	0.6
135.04556	2.3
136.05298	1.4
137.02409	0.7
143.04997	0.6
147.04538	2.7
149.02409	1.6
149.06036	0.6
150.03241	4.4
158.03755	2.4
159.04498	8.7
160.05283	24.6
161.04585	1.9
161.06047	6.5
163.03989	3.9
164.04741	4.3
169.62624	0.5
173.06059	3.6
175.07629	24.0
176.04755	0.7
176.07907	0.8
177.05576	6.2
178.06346	8.5
179.03516	1.1
192.07878	1.5
193.08653	2.9
211.91933	0.4
215.09059	0.5
228.69534	0.5
246.43475	0.5
269.08160	2.5
271.09720	0.9
281.08386	0.6
283.09760	1.1
295.98294	0.5
297.07813	1.0
299.09195	2.2
311.09253	2.0
314.11572	4.7
325.10815	0.7
326.11603	1.5
329.13916	100.0
330.14243	8.5
341.13937	5.1
359.14963	2.5
376.26178	0.8
409.41412	0.6
415.63510	0.5
431.13684	0.6
477.23639	0.8
521.25928	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	521.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35399	0.6
57.03452	0.7
57.37371	0.5
59.01379	100.0
60.01720	1.4
61.98824	2.5
65.79905	0.6
69.03471	2.9
71.01379	6.7
72.99300	0.6
73.02962	3.2
75.00839	0.9
79.01880	2.7
83.01381	1.3
83.40921	0.6
84.11955	0.5
85.02961	1.3
87.15664	0.6
89.02461	2.4
95.01404	1.2
97.02966	1.7
97.96457	0.5
101.02438	3.3
107.01382	4.0
113.02454	1.4
113.56677	0.6
119.03547	0.7
121.02917	0.7
123.00934	0.6
123.04521	2.2
125.02446	4.1
127.67364	0.6
135.04553	1.2
139.04082	1.2
151.00354	7.4
151.01440	0.7
153.05540	3.7
159.04558	0.6
161.04584	0.8
177.02014	0.8
187.00668	0.6
208.36043	0.5
237.44666	0.5
242.05850	14.8
257.08194	18.3
258.08704	1.3
267.19672	1.5
285.20798	3.9
297.24442	0.8
346.29706	0.6
359.28143	1.9
401.25674	0.5
408.65833	0.6
447.25955	6.2
447.31564	0.6
461.31299	0.8
477.27197	2.0
520.32501	1.3
521.30701	11.4
522.30298	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1608
Annotation	Daljanelin A
Peak:m/z	Relative Intensity
61.98820	7.2
69.42614	4.6
69.43015	12.6
71.01367	4.0
78.95899	92.7
99.92573	22.3
110.98529	16.1
114.42806	2.4
115.15578	2.4
115.92077	26.7
116.92847	17.5
134.03706	3.3
170.36806	2.7
178.88417	20.1
179.89212	42.9
180.89978	11.2
185.02173	4.8
191.91324	2.8
193.05371	2.6
193.90744	54.0
194.87822	3.6
194.91573	20.3
196.89452	58.2
197.89487	4.3
225.18576	2.7
236.92674	4.1
242.38194	2.9
248.92517	6.9
249.93359	6.9
250.94180	19.5
255.23187	5.2
266.93826	5.6
409.16492	3.6
421.23120	3.8
503.15189	13.9
521.16138	100.0
522.16498	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	520.268
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79234	0.7
56.79380	0.7
69.23150	7.2
71.29684	0.7
78.95905	67.8
79.63591	0.7
96.96960	5.1
98.20675	1.6
103.44198	0.7
110.83860	0.6
111.99415	0.7
150.98009	2.3
152.99583	100.0
153.99911	1.1
171.00653	3.1
222.10167	0.9
279.23502	2.2
296.52509	0.7
427.63467	0.7
433.23569	42.4
434.23792	3.5
520.27216	3.5
520.33704	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	3.8
59.01377	30.9
61.98825	7.2
65.03962	4.4
67.01917	1.5
69.40632	3.2
69.41042	6.8
71.01387	13.4
72.99282	2.1
73.02945	10.2
75.00864	3.5
83.01391	2.6
85.02944	5.9
87.00869	2.2
87.04498	3.0
89.02452	6.4
91.01881	11.9
95.01369	1.8
97.02954	2.1
97.06578	4.4
99.04542	1.3
101.02430	9.2
106.06622	11.4
109.02949	58.8
109.03706	3.1
113.02467	7.0
114.55235	1.1
115.05133	1.5
119.03475	2.3
120.08168	5.6
121.06614	1.5
123.04527	4.4
125.02469	1.9
130.08704	2.1
133.02939	3.9
135.00882	38.3
135.04483	3.4
137.02489	1.9
141.05568	3.6
150.05479	1.4
153.01924	100.0
154.02266	2.1
154.06752	1.5
157.13423	1.3
161.02437	87.9
162.02766	1.9
177.02029	2.9
179.03537	2.0
179.05418	1.5
211.35034	1.1
215.09361	3.0
225.11305	1.9
235.12386	2.2
242.11086	1.3
253.13429	3.7
265.58798	1.4
280.03815	1.2
297.12430	2.8
308.52524	1.4
320.96866	1.2
329.11407	1.8
338.53082	1.3
339.07135	31.4
340.07596	2.4
341.11493	8.7
357.08191	15.2
359.12784	10.7
377.29062	2.5
413.24039	2.0
414.24231	3.8
458.26895	3.1
461.27557	5.8
479.28561	1.5
521.16803	3.2
521.25415	2.0
521.33948	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	520.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	15.4
61.98829	100.0
66.96790	0.4
69.03439	0.4
69.25098	2.3
69.25511	1.3
71.01376	4.8
73.02945	8.7
83.01379	2.2
85.02977	0.7
89.02425	1.8
101.02449	7.3
110.02324	0.4
113.02459	3.3
119.03526	0.8
131.03503	0.6
143.03529	0.9
143.04671	0.6
149.04550	1.0
161.04539	2.9
175.33482	0.4
177.39198	0.4
178.48396	0.4
190.63130	0.5
211.69504	0.4
221.06516	0.4
243.03017	0.8
244.03456	0.6
255.02943	0.9
256.03372	0.9
264.76483	0.4
271.02353	3.1
272.02850	3.7
299.02084	3.5
300.02454	8.0
300.05579	0.5
301.03021	5.1
301.05963	0.5
314.04416	1.3
315.04922	5.2
316.05392	6.9
317.05591	0.5
328.09286	0.4
369.23047	0.4
389.47125	0.4
520.11841	6.0
520.23816	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04830	0.5
57.03444	0.7
59.01377	55.6
60.01715	0.6
60.27297	0.6
61.98828	100.0
69.61194	3.3
71.01380	4.7
72.43138	0.5
73.02946	4.1
75.00869	0.8
83.01397	1.6
83.53356	0.6
84.63719	0.5
85.02957	2.3
87.00883	0.5
89.02462	1.9
97.45901	0.5
99.00899	0.8
100.05719	0.6
101.02443	5.5
113.02443	2.8
126.19827	0.6
149.04604	0.6
161.02525	0.9
161.04582	1.5
162.05600	0.8
177.01976	3.0
179.05544	0.6
320.78879	0.5
353.19647	1.2
371.20755	3.6
413.21896	3.8
460.26932	0.6
519.31879	0.7
520.21149	0.6
520.31732	1.1
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
57.03446	1.3
58.00595	1.2
59.01381	77.8
59.36781	1.2
60.01700	2.0
61.98830	100.0
66.91807	1.3
69.03446	3.1
69.15331	12.3
71.01015	2.0
71.01385	34.5
72.99296	2.4
73.02951	14.3
74.02474	2.2
74.99724	1.1
75.00867	4.2
75.22384	1.3
83.01405	2.9
85.02945	15.3
87.00867	2.2
89.02453	16.7
89.02985	2.1
95.01377	5.6
101.01798	2.2
101.02444	31.0
113.02446	41.2
119.03518	8.4
131.03558	7.0
143.03482	4.4
149.04517	4.7
161.04570	9.8
177.01915	1.5
185.52464	1.3
221.06660	2.1
261.20181	1.2
461.27374	3.9
479.28537	2.0
521.26025	1.6
521.33197	3.8
547.46088	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	519.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.8
57.03444	1.1
58.00581	0.4
59.01379	14.5
61.98810	0.6
68.87537	0.3
69.34270	0.3
69.85174	1.8
71.01008	0.7
71.01380	9.6
71.05000	0.4
72.99294	0.4
73.02944	2.0
83.01369	1.5
85.02949	4.2
87.00874	0.4
89.02442	3.6
95.01374	0.8
95.31085	0.4
99.00858	0.5
101.02446	5.3
113.02467	2.5
119.03469	0.7
143.03436	0.4
144.49667	0.3
162.84131	0.4
167.07764	0.4
185.11833	1.0
186.81311	0.4
201.01788	0.4
297.24301	0.4
309.24341	1.4
311.25696	0.4
314.33466	0.4
321.24432	0.5
327.25372	3.7
337.23849	0.5
339.25366	7.7
340.25876	0.6
341.26993	1.0
357.26428	17.9
358.26776	1.5
489.31046	0.4
501.30545	1.2
519.31720	100.0
520.32037	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	519.317
Annotation	Antibiotic BU 2867TA
Peak:m/z	Relative Intensity
51.68998	0.3
52.57402	0.4
55.01856	0.6
57.03432	1.0
58.00578	0.8
58.03126	0.4
59.01377	11.9
61.02114	0.4
61.98805	0.7
69.13755	0.4
69.14064	4.2
71.01380	7.4
71.05032	0.4
72.99310	0.7
73.02937	1.3
83.01382	1.1
85.02953	3.1
87.00843	0.5
89.02438	2.6
95.01385	0.4
99.00877	0.6
101.02445	4.4
101.70316	0.4
113.02437	2.9
119.03474	0.6
139.70880	0.4
171.10191	0.6
258.62708	0.4
297.24442	0.6
309.24316	2.2
321.23978	0.7
323.25876	0.6
327.25369	8.4
328.25653	0.5
339.25339	8.3
340.25702	0.8
341.26965	2.8
357.26404	21.2
358.26837	2.0
489.30539	0.9
501.30579	0.9
519.31702	100.0
520.32068	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	520.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.3
58.00595	1.2
59.01381	77.8
59.36781	1.2
60.01700	2.0
61.98830	100.0
66.91807	1.3
69.03446	3.1
69.15331	12.3
71.01015	2.0
71.01385	34.5
72.99296	2.4
73.02951	14.3
74.02474	2.2
74.99724	1.1
75.00867	4.2
75.22384	1.3
83.01405	2.9
85.02945	15.3
87.00867	2.2
89.02453	16.7
89.02985	2.1
95.01377	5.6
101.01798	2.2
101.02444	31.0
113.02446	41.2
119.03518	8.4
131.03558	7.0
143.03482	4.4
149.04517	4.7
161.04570	9.8
177.01915	1.5
185.52464	1.3
221.06660	2.1
261.20181	1.2
461.27374	3.9
479.28537	2.0
521.26025	1.6
521.33197	3.8
547.46088	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	519.2081
Annotation	Suspensolide E
Peak:m/z	Relative Intensity
57.03448	4.3
59.01379	100.0
61.85391	0.8
61.98823	3.3
69.03441	1.1
69.58665	0.7
71.01378	20.8
72.99314	3.6
73.02937	3.1
75.00867	8.2
83.01367	2.0
85.02946	17.5
87.00869	5.5
89.02448	7.3
95.01363	4.2
99.00880	6.6
99.04505	2.7
101.02443	5.3
103.00359	1.6
103.74329	0.8
110.67276	0.9
113.02448	20.8
115.00338	1.2
117.01917	1.3
119.03516	1.5
129.01888	1.6
135.04501	1.4
142.83765	0.8
143.03401	1.0
157.01314	0.9
161.04544	1.6
165.12798	1.8
175.02431	1.9
177.01944	2.5
180.10223	1.0
189.12860	1.2
205.07100	0.9
207.13850	3.6
209.11813	3.2
249.06155	9.6
251.12791	1.4
267.07199	24.8
269.13858	2.1
271.02414	1.5
300.02820	1.8
315.04990	2.0
343.17462	3.4
357.26379	1.5
399.23843	3.6
417.24850	2.4
442.74393	0.8
450.41681	0.9
457.20844	1.4
459.18799	2.2
459.25815	2.9
501.19763	2.3
519.20801	89.2
519.31934	5.7
520.21313	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	519.317
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93512	0.5
52.41443	0.5
52.99434	0.5
55.01875	1.0
57.03429	0.9
58.00584	0.7
59.01379	24.4
61.98816	2.1
67.51291	0.5
69.03442	0.5
71.01384	16.0
71.07639	0.7
72.99311	1.1
73.02556	0.6
73.02943	6.4
77.99090	0.5
83.01381	2.1
85.02949	6.4
86.00055	0.6
87.00865	2.1
89.02444	3.5
95.01364	1.4
97.02953	0.8
99.00875	1.1
101.02454	6.7
106.32066	0.5
111.00870	0.6
113.02448	5.3
119.03498	0.8
125.02459	0.9
153.81534	0.4
156.18604	0.5
159.04495	0.6
161.04530	1.9
229.15547	0.5
267.23123	0.7
273.57318	0.5
297.24277	3.5
301.34784	0.5
311.25836	1.3
313.23907	1.1
313.27466	5.9
315.25372	18.1
316.25769	1.3
327.25403	1.1
357.26462	2.6
357.30301	0.6
459.29559	9.9
460.30405	0.8
475.33041	1.1
477.30670	27.9
478.30994	2.6
519.31775	100.0
520.32104	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	519.317
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93660	0.5
55.01875	2.5
55.69893	0.4
57.03433	2.6
58.00593	0.7
59.01377	18.3
61.98822	1.1
65.01820	0.5
69.31145	2.9
69.31550	0.9
71.01378	18.3
72.99295	1.1
73.02941	5.9
74.93210	0.4
83.01380	4.5
85.02946	10.8
86.00094	1.1
87.00855	1.0
89.02443	2.5
90.15081	0.5
95.01398	1.7
97.02991	0.5
98.19875	0.9
99.00878	2.6
101.02438	11.8
113.02454	6.0
119.03527	0.6
126.81918	0.5
147.02948	0.8
161.04549	1.1
185.11737	1.0
215.84073	0.5
235.09807	0.4
294.37598	0.5
313.27325	2.4
327.25235	0.8
339.25342	1.8
357.26358	2.8
375.27499	1.0
380.74899	0.5
412.92914	0.4
438.49295	0.6
519.31726	100.0
520.32062	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	519.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40084	1.9
59.01370	5.6
61.98825	5.5
69.68440	11.7
71.01384	6.3
95.01304	2.6
113.79702	2.1
115.00359	3.0
121.02931	7.9
126.98955	2.0
129.52527	2.3
130.04187	2.7
134.03732	7.0
135.04436	2.8
145.02965	18.0
147.04520	44.6
148.05093	2.2
157.02902	8.7
159.04494	2.5
167.89543	2.5
169.06638	2.2
172.05266	2.5
173.06125	2.9
174.03152	2.9
174.06833	4.1
185.06113	6.7
187.07613	15.0
189.09137	6.2
191.03491	29.5
192.04195	2.5
197.05991	3.4
199.07594	17.0
200.08382	6.7
214.10023	2.6
215.10757	18.2
229.12308	5.5
237.12907	12.7
239.10794	4.6
253.12343	28.3
254.12886	6.3
259.09613	2.8
260.90906	2.8
268.14609	10.3
269.15305	6.2
319.09637	3.4
358.11868	2.3
373.14371	3.3
399.19055	2.7
403.17441	3.5
431.22253	100.0
432.22748	11.4
475.21201	83.6
476.21548	7.5
483.00079	2.5
519.20166	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1872
Annotation	(-)-Pinoresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.48947	1.0
55.06358	1.1
57.03432	4.1
58.00592	1.2
59.01381	59.7
61.98835	8.7
71.01385	22.2
71.50365	2.0
72.99325	1.4
73.02944	5.7
74.02466	3.2
75.00870	1.3
80.76212	1.0
83.01386	1.1
83.76568	1.0
83.95875	1.0
85.02939	8.7
87.00864	3.9
88.22954	1.0
89.02439	13.4
93.03423	1.7
94.49554	1.0
95.01379	3.9
96.05196	1.2
97.02980	1.3
99.04546	3.0
101.02438	12.7
102.05593	2.5
108.02149	2.0
109.02985	1.6
113.02462	10.2
115.00350	1.4
116.00785	1.2
117.03352	1.0
119.03497	5.3
121.02967	6.2
122.03772	2.8
128.03513	6.9
129.03873	1.8
131.03442	1.9
133.01508	1.3
133.02861	1.2
134.03706	1.8
135.04518	7.7
136.01665	75.0
137.02438	2.3
143.03525	2.3
151.04008	100.0
152.04330	3.6
160.05301	2.1
161.02446	2.8
161.04507	3.6
163.03970	1.6
163.06097	2.6
165.01889	1.1
177.01878	4.4
179.03444	3.8
179.05656	2.5
187.03983	1.3
188.04788	1.5
205.07275	1.6
219.02943	1.7
227.12930	2.0
269.04572	1.8
271.02145	1.3
283.06143	2.1
297.03983	1.2
300.02679	1.3
311.05441	1.7
321.04083	1.4
339.04953	5.0
342.11063	7.1
357.13425	90.0
357.17273	4.1
358.13712	5.8
459.09177	6.4
459.25876	4.2
475.21509	1.4
477.27139	1.2
487.08685	3.0
519.11066	7.6
519.23529	3.6
519.32214	2.6
520.27649	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	2.4
59.01384	60.1
61.98831	10.3
65.54011	1.0
69.03485	1.2
69.25848	8.1
71.01388	19.3
72.99308	1.2
73.02959	7.7
74.02480	2.7
75.00893	1.2
83.01377	2.0
85.02943	7.6
87.00855	2.2
87.04517	1.4
89.02425	11.4
93.03483	1.5
95.01359	2.3
97.02935	1.5
101.02459	12.4
102.05622	1.8
108.02154	3.0
109.02901	1.3
113.02446	8.8
115.00356	1.9
117.03497	1.2
119.03501	3.9
121.02974	5.8
122.03719	2.7
123.04536	2.2
125.02449	1.7
125.06057	1.1
128.03537	4.6
129.03831	1.2
133.01413	1.9
135.04536	5.0
136.01668	63.7
137.02078	1.7
143.03497	1.5
149.04616	1.3
151.04012	100.0
152.04318	2.5
160.05273	1.3
161.02480	1.3
161.04556	4.2
162.03284	1.2
163.04015	2.3
163.06154	1.9
177.01917	4.2
177.05540	1.2
179.03522	3.2
179.05640	2.5
188.04755	1.2
203.03380	1.2
207.03024	2.1
269.04541	1.4
283.06186	2.7
297.03925	1.9
300.02658	1.3
309.11124	1.6
311.05316	1.4
315.21783	1.1
327.08755	1.9
339.04947	4.4
339.16370	1.8
342.11008	4.5
356.17419	1.3
357.13443	83.3
357.17340	4.1
358.13736	7.6
399.07144	1.3
403.10266	2.1
459.09106	4.5
459.25809	3.7
475.22116	2.5
487.08789	3.5
519.10748	6.1
519.22455	1.8
519.31238	3.1
520.27570	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	519.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43820	0.2
55.01869	0.3
57.03448	1.2
58.00568	0.2
59.01383	16.1
60.01720	0.3
61.98819	1.0
69.03461	0.3
71.01385	5.8
71.50431	0.3
72.99310	0.4
73.02947	1.6
75.00871	0.4
81.03450	0.6
83.01395	0.9
85.02955	2.0
87.00885	0.7
87.04511	0.3
89.02453	1.5
89.03966	2.3
93.03471	0.4
95.01381	0.5
99.00877	0.4
99.04517	0.6
101.02447	2.9
105.03458	3.3
109.02975	0.4
112.26891	0.2
113.02459	2.5
119.03482	0.3
120.01318	0.3
120.02161	0.2
123.04543	0.6
125.02437	1.4
128.03529	0.3
133.02965	8.8
135.04520	0.3
137.72511	0.3
139.04126	0.3
143.03532	0.3
148.01703	0.5
149.02460	1.0
153.09212	0.6
155.10695	0.3
159.04559	0.6
161.04608	0.7
165.01955	0.6
167.03569	1.3
169.12300	0.4
176.01120	1.2
177.01938	100.0
178.02264	3.1
179.03607	0.3
185.18391	0.3
201.02011	0.2
203.03470	0.3
271.02481	0.8
292.77908	0.2
299.02057	1.2
300.02698	0.3
314.04401	1.0
315.05103	3.3
327.25250	0.3
329.23434	0.4
339.07217	0.8
339.25452	0.4
357.13531	0.9
357.26401	2.5
375.27533	3.2
399.23856	0.4
417.24930	0.4
459.25214	0.3
475.16196	3.3
475.22540	0.3
475.25656	0.3
518.30743	0.7
519.15540	7.4
519.31836	20.2
520.14410	0.6
520.32056	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	519.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.5
57.03445	0.6
59.01380	21.4
60.01702	0.6
61.98830	46.7
65.00346	0.6
68.99586	0.5
71.01382	6.4
73.02943	4.8
83.01392	1.6
83.34513	0.5
85.02965	1.6
89.02437	2.6
95.01376	0.9
101.02448	4.9
107.01413	1.0
108.02178	0.8
113.02428	3.9
119.03510	1.1
128.03539	1.4
135.00856	0.7
135.04550	0.8
138.38390	0.4
143.03511	1.0
143.04648	1.2
147.00838	0.5
148.01584	0.6
149.04526	0.5
151.00349	5.2
151.04030	0.6
156.31102	0.5
159.04448	0.8
161.04578	1.2
163.00327	0.9
167.04765	0.5
171.04529	0.8
172.16866	0.4
183.04448	1.8
187.03979	0.7
199.04022	5.5
201.02005	1.2
203.03644	0.9
211.03813	0.6
215.03464	2.8
226.02777	1.1
227.03455	7.6
242.02161	1.2
243.02960	20.1
244.03548	1.5
254.02101	1.2
255.02979	21.7
256.03482	1.7
257.04541	1.5
270.01605	1.3
271.02457	60.0
272.02917	4.6
272.08740	0.7
283.09106	0.6
285.04031	2.9
286.04941	1.3
287.05530	0.9
297.12631	0.5
299.01956	73.5
300.02710	59.4
301.03009	3.6
306.07635	0.6
313.03427	0.8
314.04315	37.9
315.05084	100.0
316.05399	5.4
357.13510	0.6
459.25772	1.0
477.27234	0.5
519.11414	54.0
519.32086	2.9
520.11591	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	518.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53916	0.8
56.28009	0.7
59.01379	38.4
61.98830	100.0
69.21964	7.5
71.01373	7.6
71.06398	0.8
73.02953	7.7
83.01402	1.5
85.02966	3.0
89.02455	3.5
93.43963	0.9
97.02988	0.8
98.20728	1.4
101.02425	7.6
113.02438	4.4
119.03518	2.3
131.03485	1.0
140.07164	0.8
149.04544	0.9
161.04565	0.9
178.02620	0.9
222.94887	0.7
335.50345	0.8
339.25397	1.6
354.31046	1.0
357.26624	5.4
369.19208	0.9
429.85562	1.0
517.30566	1.9
518.30731	4.8
519.31708	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63046	0.8
57.02197	0.7
57.03445	1.4
59.01377	32.5
60.01725	1.0
61.98828	100.0
68.36112	0.6
71.01379	9.9
73.02947	15.2
78.11256	0.7
83.01392	4.6
85.02959	1.6
89.02451	4.1
92.18449	0.7
97.02969	0.7
98.19899	2.5
101.02437	14.0
113.02441	5.0
119.03476	1.9
125.02457	1.1
131.03488	2.0
140.94038	0.7
143.03529	1.8
149.04523	1.4
161.04533	4.6
177.21698	0.7
254.21602	0.8
257.68378	0.8
271.02441	1.1
299.01910	1.6
300.02798	1.9
306.07129	0.7
315.05151	1.4
366.53510	0.7
519.11023	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	518.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	14.0
58.03762	1.6
59.01378	100.0
60.01707	3.9
61.98827	51.5
61.99071	0.6
69.03463	2.9
70.17642	2.8
71.01005	2.1
71.01382	28.6
72.99306	2.0
73.02940	11.6
74.02457	3.3
75.00862	4.4
83.01382	4.1
85.02951	14.3
87.00873	4.7
89.02441	10.7
92.79662	1.0
95.01402	3.8
99.00883	4.0
99.04517	13.8
99.05595	2.3
100.04871	1.9
101.02435	20.4
111.00945	1.1
113.02446	21.8
114.02664	1.1
116.01692	1.4
119.03493	5.1
125.02448	6.3
128.03522	7.6
131.03471	3.2
133.01430	1.3
137.09677	1.7
137.66187	1.1
141.06725	1.3
143.03503	3.0
143.04620	11.4
149.04572	2.5
155.10730	1.5
160.00713	3.5
161.04538	5.1
177.01915	4.8
177.03348	2.3
179.04517	2.9
189.12807	1.4
191.05492	1.1
207.13873	1.2
209.11739	1.4
221.06656	1.7
243.02917	2.2
249.06136	3.3
254.07640	2.8
255.02950	1.6
267.07242	7.6
271.02478	3.3
272.08875	4.2
288.06528	1.3
299.01813	3.0
300.02811	2.1
306.07645	21.0
314.04260	2.3
315.05014	3.4
373.25876	1.7
408.07861	1.4
417.24954	1.6
458.24774	1.8
459.18948	1.4
501.19302	1.5
517.30377	6.3
518.30725	10.4
519.12555	2.7
519.20819	35.2
519.32562	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	518.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.0
57.03445	7.2
59.01376	76.9
60.01697	2.8
61.98827	100.0
70.90473	0.8
71.01377	16.6
71.05030	0.8
71.50599	0.8
71.51009	1.2
73.02947	7.9
74.02444	0.8
74.99096	0.7
75.36818	0.8
83.01378	3.1
85.02947	4.8
85.06473	0.8
87.00894	1.1
88.33294	0.9
89.02435	5.4
95.01387	1.4
99.00845	1.4
99.04498	3.5
101.02434	11.5
113.02438	6.9
115.00431	1.2
116.92887	1.1
117.92851	0.9
119.03480	1.4
122.08000	0.8
125.02464	1.5
128.03535	1.6
133.01425	1.3
135.04434	0.9
143.03442	1.0
159.04472	1.0
161.04530	4.2
167.81865	0.8
177.01921	1.0
191.05626	1.0
203.05582	3.4
207.13881	11.7
267.07178	1.9
269.13974	0.9
342.83453	0.9
471.04501	0.9
517.30170	5.0
518.30652	8.4
518.99554	0.9
519.31287	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	518.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73607	0.5
71.01376	9.3
71.01738	1.0
72.99303	1.8
87.00877	0.9
89.02438	1.6
98.20673	1.4
107.48424	0.5
115.00370	25.6
133.01424	100.0
134.01758	1.5
134.03720	1.4
135.04515	30.4
136.04851	0.8
160.43266	0.8
179.03491	33.0
180.03850	0.6
204.25864	0.6
295.04526	4.3
445.95694	0.5
460.88129	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30679	0.8
57.03452	5.3
59.01377	81.2
60.01715	2.5
61.98828	100.0
69.03438	1.0
70.65420	3.0
71.01379	14.8
72.99331	1.2
73.02942	7.5
83.01402	2.7
84.12532	0.8
85.02956	4.1
87.00874	1.8
87.04512	1.0
89.02446	6.9
95.01390	1.9
99.00854	1.5
99.04532	3.1
101.02418	11.2
109.02932	1.6
113.02448	7.6
116.92886	1.7
119.03511	2.5
125.02454	1.6
128.03543	2.0
135.04504	1.5
143.03514	2.0
149.04517	1.0
161.02478	1.0
161.04562	3.8
179.05644	1.0
191.05551	1.3
203.05602	4.1
207.13876	10.6
255.15930	0.9
267.07239	2.3
269.93372	0.8
296.06406	1.4
357.26157	1.1
459.25922	1.4
517.30347	5.2
518.22058	1.4
518.30237	6.8
519.31750	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	517.1353
Annotation	Lantanoside
Peak:m/z	Relative Intensity
57.03442	1.0
59.01381	10.4
64.30889	0.6
65.00329	10.3
71.01392	2.3
71.50970	0.9
73.02978	1.4
84.23965	0.6
85.02963	1.2
89.00333	3.1
91.01899	1.6
97.02957	7.3
101.02462	1.7
121.02955	3.7
149.99612	3.5
165.01938	34.1
166.02278	1.3
250.10233	0.7
254.05927	0.9
255.02995	25.6
283.02487	29.5
284.02881	1.7
298.04831	22.8
299.05081	1.1
313.07190	100.0
314.07486	6.5
337.23776	0.8
355.24902	2.2
361.67828	0.7
389.53528	0.7
517.30151	14.5
518.30280	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.7
57.03451	4.6
57.16983	0.9
58.88122	1.1
59.01378	12.6
67.01890	2.8
69.03458	5.6
69.26195	1.1
71.01379	27.3
71.48589	1.0
72.99306	47.1
73.02943	53.9
75.00888	1.6
83.01393	4.9
84.31819	1.0
85.02947	44.1
87.00872	4.1
89.02452	3.4
95.01385	10.6
96.96016	4.3
99.00875	12.5
101.02433	18.4
103.04018	4.4
111.00833	1.4
113.02443	83.1
114.02771	1.6
115.00356	12.7
129.01926	16.1
130.66150	1.2
131.03493	54.2
132.03839	2.0
139.00337	1.2
157.01408	16.8
161.04523	1.7
168.49667	1.0
175.02460	100.0
176.02904	1.9
179.05612	1.3
423.28256	1.0
457.11862	3.4
517.14014	31.0
518.14685	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	517.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	7.7
58.00598	1.2
59.01379	100.0
61.98829	2.4
63.50556	0.8
69.19324	7.6
70.02294	1.0
71.01382	23.0
72.94859	0.8
72.99294	1.0
73.02947	13.9
74.01401	0.9
75.91771	0.8
83.01390	6.0
85.02964	7.1
87.00933	1.3
89.02448	10.9
95.01401	2.0
97.02943	0.9
99.00904	1.9
99.04510	8.1
99.31537	0.7
101.02444	21.0
113.02438	9.9
115.00345	1.4
119.03493	3.6
125.02433	2.6
129.09303	1.1
131.03540	1.1
133.02956	2.0
135.04536	1.1
143.03490	3.0
149.04530	1.4
161.04582	5.6
163.04118	0.8
177.01967	1.2
179.03416	1.1
179.05650	2.0
191.05515	0.8
201.02005	1.5
208.03796	1.1
253.18253	1.6
295.18765	1.3
311.05545	1.6
355.24866	1.4
397.22296	8.3
401.08777	2.9
415.23386	10.5
419.41968	0.9
427.62772	1.0
457.23807	6.2
458.24960	1.0
475.29214	2.0
517.17169	1.1
517.30176	22.3
518.30383	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	517.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	7.7
62.32829	2.0
98.19872	5.4
117.03498	14.4
135.04495	4.2
148.86667	2.2
149.79166	2.0
160.73843	2.1
161.02429	5.9
163.04022	4.1
191.03630	2.3
203.03607	2.9
239.07005	4.0
246.22462	2.3
268.03815	2.2
269.04431	4.5
281.04541	10.3
282.05267	4.7
283.06146	49.4
293.04520	4.3
295.06009	2.9
311.05615	100.0
312.05923	7.6
323.05533	10.2
341.06659	12.9
413.08765	15.4
447.75772	2.6
473.10928	48.9
474.11249	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	517.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01651	2.8
54.23212	2.3
57.03452	3.6
59.01377	46.5
60.01734	2.8
71.01403	12.2
71.26428	5.2
73.02956	3.1
77.03983	2.5
79.01885	2.5
85.02937	3.1
89.02438	4.9
101.02455	6.2
113.02419	4.7
115.00374	4.6
117.03446	10.3
128.03505	4.7
133.01450	3.3
145.02922	3.4
146.03743	6.8
147.04514	31.0
147.98401	3.0
159.04535	3.8
161.02405	4.6
211.03976	2.8
225.05521	3.1
225.11272	6.0
269.04477	4.7
281.04559	9.4
282.05383	4.7
283.02939	4.2
283.06091	54.9
284.06497	3.3
293.04507	4.8
295.06085	8.2
311.05603	100.0
312.02759	7.9
312.05966	4.5
313.03516	7.4
313.10681	5.1
314.04312	3.5
323.05655	16.7
341.06683	26.4
354.15448	3.5
355.16089	5.4
383.07944	2.5
413.08774	8.4
431.09781	4.3
473.10904	30.4
474.11505	3.7
517.09625	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	516.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00906	0.8
50.82916	1.0
51.52716	0.8
55.07857	0.7
57.03439	3.8
59.01376	64.0
60.01707	1.8
61.98827	100.0
71.01379	12.9
71.05008	1.2
71.50907	0.9
72.01718	0.8
73.02946	4.5
83.01408	2.1
83.05047	1.3
85.02943	6.5
87.04518	0.9
89.02445	5.8
93.03493	0.9
95.01407	1.2
96.95970	0.8
99.04527	5.2
101.02437	8.5
102.02773	1.3
102.66676	0.9
109.23731	0.8
113.02435	5.1
117.99284	0.8
119.03472	3.5
121.02946	55.2
122.03293	1.4
128.03511	0.9
135.04556	1.0
161.04517	1.9
176.89725	0.8
209.08224	1.7
314.11005	1.0
336.09549	2.4
353.23331	1.0
397.22244	2.0
403.27039	0.9
490.84363	0.9
515.28802	9.5
516.15948	2.4
516.28278	11.4
517.19336	1.3
517.30212	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	516.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05408	0.6
57.03446	2.4
59.01383	53.2
60.01730	0.9
61.98834	100.0
64.47503	0.7
69.03467	1.0
70.51232	1.7
70.51563	0.8
71.01384	13.5
73.02952	19.6
74.42103	0.6
83.01398	4.3
85.02966	2.7
89.02460	5.7
90.33261	0.7
99.04546	1.7
101.02451	16.9
113.02446	6.1
116.26421	0.7
119.03542	2.1
125.02435	1.3
131.03551	1.4
133.01421	1.2
135.04619	0.9
143.03542	1.7
149.04610	3.3
161.04543	6.0
171.08194	3.4
176.84222	0.7
187.11290	54.8
188.11606	2.7
203.05681	1.0
205.05133	0.8
221.06696	1.6
223.11975	0.7
237.08383	0.8
354.10626	1.2
365.63797	0.7
516.16107	0.9
517.29865	1.1
523.32733	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78375	0.1
55.01887	0.3
55.92709	0.1
57.03460	0.1
58.00595	0.2
59.01375	5.0
61.98819	0.2
62.23943	0.1
64.62993	0.1
71.01376	3.9
72.99324	0.3
73.02941	0.7
75.00916	0.1
83.01395	0.4
85.02950	1.0
86.56032	0.1
86.96696	0.1
87.00876	0.5
89.02439	2.9
91.04005	0.2
95.01392	0.2
97.02958	0.2
99.00903	0.3
101.02442	3.5
113.02442	1.8
119.03500	1.0
125.02425	0.2
127.22297	0.1
131.03488	0.2
133.05098	0.3
143.03500	0.3
149.04512	0.1
157.05093	0.2
158.10863	0.1
159.72893	0.1
161.04539	1.5
163.07556	0.1
172.10922	0.1
173.21259	0.1
179.05534	0.5
192.56633	0.1
200.37527	0.1
209.52280	0.1
229.25848	0.1
235.08221	0.7
253.09267	14.0
254.09616	0.4
261.22223	0.3
279.23260	100.0
280.23602	6.4
302.14386	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	515.2858
Annotation	Tricalysioside M
Peak:m/z	Relative Intensity
50.47416	0.7
55.01878	0.9
58.00586	1.2
59.01378	38.4
61.98818	2.2
63.44627	0.8
64.55611	0.7
69.41447	0.8
70.91207	1.8
71.01379	25.2
71.65040	0.7
72.99329	1.0
73.02944	27.3
83.01385	7.3
85.02939	4.7
87.00890	1.9
87.04505	1.7
89.02449	4.1
99.00880	1.5
100.03902	0.8
101.02438	18.0
109.06550	0.9
113.02446	6.3
119.03463	1.5
125.02394	0.9
125.29025	0.9
131.03557	0.9
142.03500	0.7
151.00327	1.0
161.04555	1.7
183.13811	2.3
193.01419	1.1
201.01901	1.1
207.44829	0.8
218.41026	0.7
223.17035	3.3
235.17017	6.7
275.20065	9.5
293.21198	17.0
309.04068	1.0
311.22238	7.2
327.51849	0.8
352.09561	1.2
353.10168	3.3
353.13889	1.0
455.26593	8.5
473.27505	15.6
474.27969	1.8
515.15753	3.3
515.28552	100.0
516.28925	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	515.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33662	0.9
57.03444	100.0
59.01376	74.7
69.03416	1.2
70.25971	2.7
71.01382	22.6
73.02946	6.9
75.00835	1.4
81.03446	2.7
83.01361	2.5
85.02934	10.4
89.02435	13.3
95.01372	4.6
97.02955	1.0
99.00890	1.1
99.04512	90.6
100.04810	1.8
101.02433	37.5
101.03107	2.0
113.02438	31.7
119.03512	6.6
123.04498	3.9
125.02438	44.4
131.03461	3.4
141.05576	1.1
143.03461	5.0
149.04526	3.3
153.05518	1.4
161.04547	10.5
179.05553	3.5
179.07018	1.0
221.06627	1.3
248.50066	0.9
267.07086	1.1
329.51071	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	58.6
59.01379	100.0
60.01719	1.1
70.73790	0.8
70.74123	1.6
71.01379	15.8
72.99284	0.9
73.02935	4.4
75.69280	0.8
79.02272	0.7
81.03448	1.7
83.01385	2.6
85.02953	6.9
88.97241	0.8
89.02463	3.8
93.97667	1.0
95.01364	1.8
99.00856	1.9
99.04518	67.6
101.01803	1.4
101.02441	22.6
113.02441	7.1
116.55495	0.8
119.03486	2.1
125.02444	26.8
126.02759	1.3
143.03450	1.1
161.04591	6.0
179.05391	0.8
209.15425	3.1
344.76334	0.8
353.10138	2.6
371.20703	12.9
372.20871	1.0
402.00497	0.8
413.21689	3.4
456.40610	0.8
515.15540	2.1
515.25031	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	515.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	4.9
57.48176	3.1
59.01378	33.7
61.98821	11.4
65.00315	7.2
69.23402	6.2
69.23798	29.8
71.01380	16.0
73.02936	4.9
78.29174	3.3
81.03455	10.2
83.01387	20.2
83.26775	3.3
89.89194	3.4
99.86021	3.7
101.02438	6.5
105.01933	12.4
107.01369	12.9
109.02938	6.3
113.02448	7.2
115.00311	5.5
123.04530	37.8
124.01624	4.2
125.02486	22.6
135.04526	4.3
137.02443	15.6
145.01427	15.3
149.02429	10.5
151.00383	12.2
151.04063	6.5
163.00340	6.9
163.03983	5.7
164.01158	5.1
165.01898	7.7
166.02699	10.2
167.03497	82.8
173.05997	5.9
174.06848	6.5
177.01938	5.4
178.99849	13.7
179.03490	44.8
190.45564	4.0
191.00021	5.0
191.03598	5.5
192.00632	21.5
193.01413	74.3
195.03003	28.5
196.46115	4.0
200.08377	6.1
201.01935	14.7
205.01480	7.7
206.02231	7.6
207.02980	71.0
219.03030	4.8
235.02478	4.9
289.07239	6.1
353.10379	6.9
369.13388	40.2
373.85526	4.0
381.13251	4.8
395.11340	100.0
396.11584	5.8
397.12897	44.1
409.12836	34.3
413.12473	7.3
425.12402	26.8
427.13831	34.1
449.12485	6.3
455.13312	10.4
455.26358	5.4
467.13422	7.1
469.15460	4.4
473.27487	6.4
479.13986	3.9
497.14352	7.9
515.15466	63.3
515.27954	16.7
516.15649	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	515.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.0
57.03452	74.5
58.03805	0.9
58.10881	0.8
59.01381	100.0
61.98815	1.4
71.01384	21.9
73.02948	6.8
81.03458	1.9
83.01389	3.4
85.02953	8.4
87.00866	1.6
89.02451	7.2
95.01371	1.4
96.48662	0.8
98.98119	0.7
99.00925	2.1
99.04521	72.3
100.04865	0.9
101.01798	1.7
101.02445	27.7
102.14961	0.9
113.02448	8.9
119.03496	3.7
123.04594	1.0
125.02449	25.4
131.03531	0.9
133.01416	1.7
133.02922	1.9
137.06082	2.2
143.03500	3.5
149.04521	1.1
161.04581	8.9
163.04021	2.1
164.10017	0.8
169.04607	0.9
177.01874	2.6
179.05573	3.4
179.11844	0.7
183.58514	0.7
203.05617	1.0
209.15462	1.1
224.53973	0.9
229.09357	0.9
293.04523	1.8
305.85818	1.0
339.05084	0.9
371.20648	5.4
413.21835	2.2
455.22235	1.1
471.18719	3.3
515.15680	1.2
515.25031	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	515.1559
Annotation	Epimedoside C
Peak:m/z	Relative Intensity
51.30035	0.2
59.01375	5.4
60.77706	0.3
61.98831	1.9
63.02404	0.3
65.00314	1.7
65.90700	0.3
68.99804	0.4
70.04704	0.5
70.05047	0.9
71.01379	2.1
73.02949	0.9
75.00880	0.5
79.05531	0.2
83.01350	0.3
85.02977	0.6
87.00846	0.3
89.02441	0.5
99.16933	0.2
101.02436	1.0
105.07059	0.6
107.05021	0.3
107.08649	0.4
108.02168	1.3
109.02951	0.8
109.06584	2.3
113.02483	0.5
117.03507	0.3
121.02959	0.4
123.04488	0.6
131.01353	0.5
131.05045	0.3
131.08636	0.7
133.01454	0.3
133.02965	4.8
133.06580	7.2
135.00888	0.4
135.04558	0.3
136.01643	0.6
137.02493	0.3
147.00848	0.4
148.01662	0.9
149.02443	2.0
151.03983	0.8
151.07639	6.3
157.02933	0.4
159.04498	0.7
161.02441	0.9
161.04593	0.4
163.00340	1.3
164.01143	0.5
173.02405	0.3
173.06038	0.3
174.03241	0.6
175.00372	2.1
175.04005	4.7
175.07605	2.0
176.01140	3.2
177.01894	1.0
187.03947	0.3
189.01938	0.3
190.99419	0.2
191.07095	0.9
193.08673	0.5
195.02910	0.4
195.04530	0.2
195.55711	0.3
196.05177	0.3
198.03210	0.7
199.03976	3.5
201.01900	5.3
202.02357	0.4
211.03996	0.5
212.04733	0.8
216.04227	1.1
217.04921	0.2
219.06598	12.8
220.06963	0.5
221.06157	0.3
224.04626	0.4
225.05505	0.4
226.06306	0.6
239.03534	0.6
240.04250	2.6
241.04927	0.4
243.02965	0.6
243.10107	0.4
253.05096	0.3
254.05890	0.5
256.03723	0.4
264.03998	0.3
265.05020	0.7
265.12405	0.3
266.05771	0.6
267.02820	0.4
267.10147	1.5
269.04410	0.4
281.04514	0.8
281.11801	0.7
282.05280	0.5
283.02515	0.5
283.09729	0.7
284.03195	1.6
285.11301	3.0
291.10178	0.8
297.03915	1.5
297.11398	0.3
298.04761	1.8
309.04019	3.8
309.07443	0.4
309.11313	2.3
310.04633	0.8
323.97260	0.3
325.10767	1.4
330.03748	0.4
335.09265	0.9
337.06656	0.3
352.09473	1.0
353.10263	100.0
354.10611	7.7
379.11569	0.7
446.78094	0.3
455.25781	0.3
473.27048	0.3
512.70752	0.3
515.15533	42.2
515.28381	3.1
516.15997	4.6
516.28644	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1554
Annotation	Epimedoside C
Peak:m/z	Relative Intensity
52.35890	0.3
57.03448	8.6
58.00612	0.3
58.08841	0.3
59.01380	35.2
60.01720	0.3
61.98834	2.6
63.02402	0.5
65.00328	0.5
69.24547	0.6
69.24945	2.1
69.30054	0.4
71.01379	5.2
72.99322	0.4
73.02948	2.2
75.18663	0.3
80.72286	0.3
81.03457	0.3
81.24276	0.3
83.01386	0.9
85.02955	2.1
87.00846	0.4
87.04472	0.3
89.02437	1.8
95.01392	0.9
97.06577	0.4
99.00858	0.7
99.04514	10.2
101.02449	4.7
107.01403	0.7
113.02438	3.5
119.03487	1.0
123.04509	0.6
123.08082	0.3
125.02449	4.1
133.01427	0.4
135.04507	0.4
135.08243	0.3
143.03535	0.4
143.04865	0.3
151.00375	0.6
151.07610	1.0
157.02910	0.7
159.04420	0.4
161.04558	1.2
166.02693	1.1
166.50322	0.3
179.05505	0.3
181.05075	1.4
181.06662	0.3
183.04532	0.7
205.06639	0.8
207.04501	0.4
211.03838	0.4
221.05952	0.4
225.05559	1.2
248.04811	0.6
253.05180	0.5
265.05026	0.4
281.04471	4.0
282.05276	2.9
283.06070	0.8
293.04544	100.0
294.04950	6.5
295.06073	2.4
296.06885	0.3
309.07684	0.4
319.06006	0.6
321.89777	0.3
335.09274	1.2
337.07291	1.3
345.23105	0.3
352.09457	1.9
353.10324	3.4
371.20773	1.2
395.20554	0.5
413.21558	0.6
455.27344	0.4
497.31058	0.5
515.15576	76.5
515.28613	4.9
516.15887	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	515.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08191	0.4
56.00851	0.4
57.03436	0.7
59.01373	1.5
59.69381	0.4
60.99298	0.8
67.01891	2.3
69.03434	0.8
70.48620	0.9
70.48999	1.0
71.01392	1.3
81.03436	0.6
83.05029	0.6
85.02945	4.8
87.00874	3.7
92.90629	0.3
93.03461	17.9
99.00927	0.5
109.02944	1.2
111.04530	2.9
127.03990	1.3
129.01929	0.7
133.02959	1.6
134.03703	0.5
135.04526	21.0
136.04826	0.9
137.02428	0.5
149.06052	1.3
155.03607	0.5
160.98000	0.4
161.02429	10.3
161.80238	0.3
171.02928	0.6
173.04564	3.5
179.03496	15.4
180.03879	0.7
189.05649	0.7
191.05606	100.0
192.05945	2.4
221.04575	0.4
231.06682	0.7
233.06706	0.5
249.07756	0.4
263.05536	0.5
272.08719	0.5
278.85086	0.4
279.34924	0.4
309.11313	1.3
323.07706	1.3
339.10620	0.5
353.04526	0.8
353.08737	11.4
354.09189	0.4
395.09683	2.3
515.14038	52.7
516.14404	3.9
526.89081	0.4
538.58661	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24429	0.6
59.01373	2.0
60.49083	0.7
67.94982	0.7
69.65991	3.9
71.01386	1.2
81.22724	0.7
85.02946	10.9
87.00890	2.2
90.59202	0.7
93.03458	4.6
99.95495	0.8
109.02924	1.1
111.04523	1.6
117.03490	0.9
120.78815	0.8
127.04012	1.8
132.02170	1.1
133.02939	8.0
134.68674	0.7
135.04488	2.9
160.01685	2.9
161.02432	50.2
161.06085	1.2
162.02745	1.4
171.03008	0.8
173.04552	1.9
173.06006	1.0
179.03473	3.7
191.05598	100.0
192.05913	2.5
219.06627	1.1
263.05496	1.7
323.07678	42.0
324.07932	1.3
341.08572	1.6
353.08661	3.7
425.10910	1.5
515.13971	30.5
516.14478	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	515.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	1.0
67.01899	0.7
71.01373	1.2
71.49358	0.4
71.49753	0.6
79.95744	3.4
82.04652	0.4
85.02947	4.2
87.00880	1.0
93.03453	3.2
96.96011	100.0
101.02445	0.5
105.81844	0.5
108.02199	0.5
109.02953	1.5
114.93357	1.0
117.03499	0.6
127.04005	0.8
132.02205	0.7
133.02954	2.7
135.04514	6.0
148.69063	0.4
149.06090	0.7
152.01054	0.7
153.26576	0.4
159.04550	0.6
160.01610	1.0
161.02434	18.5
161.06129	0.7
173.04581	2.6
179.03487	3.6
191.05611	40.2
192.05949	0.9
201.05516	0.7
219.06633	0.5
221.04578	0.7
246.72800	0.4
263.05475	0.6
309.08359	0.5
309.11520	1.0
323.07687	18.3
324.08197	0.8
341.08789	1.3
353.08777	1.8
417.10345	1.0
425.10864	1.0
479.01935	0.6
485.16833	0.8
515.13861	12.2
515.25439	0.6
516.14276	0.7
524.97009	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02991	4.7
59.01371	57.9
62.00247	3.9
66.80231	4.6
69.79016	21.7
71.01376	49.5
72.07138	4.1
75.00899	6.2
77.91231	5.8
81.89660	4.1
85.02953	9.0
88.85281	4.5
89.02429	52.2
98.19884	6.0
101.02426	24.0
113.02451	13.8
119.03510	14.0
129.10378	4.5
142.99837	15.9
151.06100	5.3
161.04439	7.3
172.06213	7.0
173.09311	32.6
174.07626	6.7
179.05612	23.9
191.05640	6.9
217.02029	5.2
235.53229	4.3
341.10837	100.0
393.74826	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	515.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.75586	0.5
59.01377	1.3
62.27134	0.4
63.84346	0.4
67.01914	0.7
69.76210	1.0
69.76621	2.2
71.01387	1.2
73.96897	0.4
83.05018	0.5
85.02945	9.1
87.00861	2.7
93.03465	5.2
96.96014	0.8
99.04563	0.6
106.68126	0.4
109.02943	1.3
110.69847	0.5
111.04517	1.1
117.03481	1.2
127.04042	2.9
132.02170	1.3
133.02954	8.3
135.04518	6.1
155.03519	0.5
160.01634	3.1
161.02435	48.9
162.02789	1.3
173.04556	1.7
179.03481	4.5
191.05602	100.0
192.05898	2.7
194.29497	0.4
231.06483	0.7
295.64481	0.5
323.07693	49.7
324.08102	2.9
341.08701	2.2
353.08456	2.8
481.26605	0.6
501.25778	0.5
515.13977	24.8
516.14148	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	513.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00515	0.3
55.01873	0.7
57.03414	0.3
57.98508	0.2
58.00585	0.3
59.01377	8.3
62.42210	0.2
71.01372	5.2
72.99274	0.3
73.02945	1.0
74.87577	0.3
81.13579	0.3
83.01376	0.8
83.05058	0.3
85.02954	1.1
87.00861	0.7
89.02439	3.8
91.03994	0.4
95.01379	0.6
98.20779	0.3
101.02436	4.0
113.02441	2.1
114.62773	0.3
115.04084	0.3
119.03506	0.9
129.80894	0.2
143.03488	0.5
161.04533	1.6
176.38188	0.3
179.05620	0.6
217.80832	0.3
221.72232	0.2
235.08121	0.8
253.09261	16.2
254.09773	0.4
259.20804	0.3
277.21692	100.0
278.22049	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	513.3585
Annotation	rubiarbonone C
Peak:m/z	Relative Intensity
50.00325	0.7
57.36057	0.5
59.01118	0.6
59.01385	9.4
61.98819	1.1
68.28556	0.5
71.41254	0.7
71.41615	1.3
81.89241	0.5
253.09370	0.7
277.21704	4.6
309.00037	0.7
326.10025	0.6
453.33804	5.3
513.35876	100.0
514.36212	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	514.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18483	0.1
54.19660	0.1
54.74335	0.1
59.01378	0.8
59.13637	0.1
61.98832	100.0
69.44753	0.2
69.45175	0.2
71.01384	0.2
73.02967	0.2
83.01440	0.1
101.02487	0.1
116.92881	0.1
128.03520	0.1
129.10361	0.1
130.33383	0.1
133.16875	0.1
135.04561	0.1
146.04562	0.1
158.50627	0.1
178.95757	0.1
190.30856	0.1
247.05553	0.1
248.05843	0.1
256.06104	0.1
260.08771	0.1
352.13837	0.1
418.03217	0.1
452.11221	0.1
454.33746	0.2
470.13089	0.2
470.18527	0.1
514.32190	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2705
Annotation	Tricalysioside J
Peak:m/z	Relative Intensity
55.01870	1.6
58.00596	2.0
59.01377	100.0
60.01694	0.8
61.98826	7.2
63.53992	0.6
69.03452	2.4
71.01378	53.1
71.05025	2.7
71.50645	0.8
72.01720	0.7
72.99311	5.2
73.02943	47.8
74.88580	0.6
75.00872	1.6
81.01253	0.7
81.03450	1.2
83.01388	14.9
83.05022	2.6
85.02945	11.1
85.06610	1.3
87.00878	3.0
87.04504	0.9
89.02441	9.9
95.01396	2.9
97.02950	1.0
97.06618	1.4
99.00888	2.4
99.04517	13.1
99.92578	0.7
101.02443	37.5
111.04533	2.1
113.02448	14.4
113.06094	0.7
115.00349	1.3
115.04010	11.5
119.03480	3.5
121.02977	2.2
125.02431	4.5
125.06073	0.9
125.09664	0.8
129.05580	6.1
131.01421	1.0
131.03458	3.0
133.01413	0.7
135.04530	0.9
137.09818	0.6
139.04016	1.3
143.03473	2.0
143.07135	4.5
147.11797	2.3
149.04523	1.8
149.09685	0.9
155.03442	0.8
158.25305	0.6
159.04468	1.2
161.04497	4.9
161.13354	1.3
162.34485	0.6
175.00371	3.6
175.14882	2.6
177.01958	1.1
179.03391	0.7
191.05554	1.3
201.01979	1.0
209.55756	0.6
229.19612	1.8
238.63707	0.8
247.17039	1.1
261.02478	0.6
261.80725	0.6
269.08951	0.6
273.18549	7.9
273.45636	0.8
277.12170	0.7
281.04492	0.7
291.19644	46.5
292.19998	2.5
293.21149	1.3
309.04095	4.1
309.17438	0.8
309.20627	3.0
309.34320	0.8
368.22485	0.7
416.59854	0.7
453.24799	4.9
471.25937	9.0
472.26160	1.1
491.14798	0.7
513.26849	88.1
514.27209	8.9
522.09869	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.3
57.03476	0.2
58.00606	0.2
58.82072	0.1
59.01377	6.5
70.09157	0.1
70.28017	0.1
71.01379	4.6
72.45139	0.1
72.99316	0.3
73.02937	1.0
81.03451	0.1
83.01363	0.6
83.05042	0.2
85.02951	1.0
87.00874	0.6
89.02441	3.6
91.04019	0.2
95.01398	0.3
97.02968	0.2
98.20639	0.1
99.00905	0.2
101.02438	4.6
108.54029	0.1
113.02455	2.1
115.04021	0.2
118.03505	0.1
119.03491	1.1
125.02468	0.2
127.07664	0.2
133.05075	0.4
141.09431	0.1
143.03502	0.4
157.05116	0.1
161.04547	1.6
179.05600	0.5
206.68242	0.1
216.18416	0.1
222.92337	0.1
233.22742	0.4
235.08162	1.0
253.09276	14.9
254.09602	0.5
259.20651	0.4
260.21054	0.1
275.20163	0.3
277.21701	100.0
278.22049	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	513.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.0
57.03448	77.1
58.00585	1.3
59.01378	100.0
61.98841	1.1
66.31950	0.8
71.01375	26.9
72.01691	0.8
72.99276	1.2
73.02943	16.4
81.03464	2.6
83.01386	6.1
85.02943	5.7
87.00880	1.1
89.02440	17.0
95.01388	2.1
98.19859	1.4
99.00893	0.8
99.04515	85.8
100.04862	1.9
101.02441	34.3
113.02451	16.3
119.03485	7.7
121.06628	0.9
123.04516	3.4
125.02444	38.0
126.02811	1.1
131.03506	1.7
137.09718	6.7
141.05542	1.2
143.03467	5.0
149.04585	1.7
161.04559	10.7
179.05635	6.4
187.17818	0.7
188.12508	0.8
189.07648	0.8
203.05600	1.6
218.23608	0.7
221.06638	1.3
263.07861	1.5
323.09875	1.4
378.19473	0.9
396.13599	0.8
411.20245	0.8
423.13193	1.1
453.14435	0.8
513.23505	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	513.2703
Annotation	Tricalysioside J
Peak:m/z	Relative Intensity
51.51172	0.6
57.03468	12.9
59.01383	100.0
61.98839	1.3
62.53122	0.6
69.03457	0.9
69.26414	4.3
71.01386	21.4
71.05038	0.9
72.99318	1.7
73.02949	19.4
75.22357	0.6
81.03468	0.7
81.09581	0.6
82.82792	0.5
83.01396	6.2
85.02953	4.5
87.00866	0.9
89.02453	6.8
95.01405	1.0
97.02951	0.8
99.00920	0.8
99.04528	10.7
101.02450	18.8
101.03112	1.1
113.02468	7.8
119.03533	2.4
125.02449	6.4
125.09768	0.9
131.03494	1.5
136.21542	0.6
143.03526	1.0
149.04584	0.7
161.04547	2.7
171.10310	1.8
197.29686	0.6
229.19482	0.6
247.20709	1.0
273.18622	1.3
291.19690	14.9
292.20016	1.2
298.76123	0.6
309.20758	1.4
453.24692	3.2
471.25922	4.0
495.26053	4.1
513.27032	75.4
514.27374	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	513.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	100.0
58.03789	1.4
58.16355	1.3
59.01379	87.2
66.91650	1.5
69.13357	10.2
69.13774	4.8
71.01381	15.1
72.99292	1.2
73.02947	12.8
74.60657	1.2
81.03445	4.6
83.01392	3.5
85.02966	2.5
85.14936	1.3
89.02432	3.8
89.14038	1.3
99.04517	92.6
100.04839	2.3
101.02445	28.3
113.02444	6.2
115.18075	1.3
119.03441	1.8
119.57295	1.7
125.02440	40.7
143.03488	4.6
161.04617	3.8
169.01434	3.1
203.11732	1.5
506.81680	1.6
522.75684	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03204	1.3
57.03449	18.1
59.01379	31.2
61.36521	1.2
61.74089	0.9
61.98835	1.6
62.19682	0.9
69.03436	3.4
69.15471	1.7
69.15862	9.2
70.43463	0.9
71.01383	5.4
73.02943	3.9
81.03439	2.0
83.01377	2.0
85.02943	2.7
87.00880	1.0
87.04501	1.4
89.02437	1.2
95.01388	2.2
97.02939	4.0
99.03911	1.7
99.04520	21.3
101.02451	5.9
113.02461	2.2
116.99654	0.9
123.00873	7.5
123.04494	1.1
124.01671	18.9
125.02451	43.7
135.08174	1.4
137.02435	2.5
137.09724	1.5
149.99594	24.8
151.00346	2.6
153.09227	1.2
155.10770	9.7
161.04570	1.0
167.03493	1.1
168.00644	55.4
169.01385	8.5
191.05586	1.1
199.09744	2.9
217.10641	1.7
225.57021	1.0
307.11795	1.2
337.85263	1.0
343.21307	1.1
475.37134	1.1
513.16046	100.0
513.28412	4.9
514.16669	8.3
534.67426	1.0
537.40344	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	513.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.0
57.03448	77.1
58.00585	1.3
59.01378	100.0
61.98841	1.1
66.31950	0.8
71.01375	26.9
72.01691	0.8
72.99276	1.2
73.02943	16.4
81.03464	2.6
83.01386	6.1
85.02943	5.7
87.00880	1.1
89.02440	17.0
95.01388	2.1
98.19859	1.4
99.00893	0.8
99.04515	85.8
100.04862	1.9
101.02441	34.3
113.02451	16.3
119.03485	7.7
121.06628	0.9
123.04516	3.4
125.02444	38.0
126.02811	1.1
131.03506	1.7
137.09718	6.7
141.05542	1.2
143.03467	5.0
149.04585	1.7
161.04559	10.7
179.05635	6.4
187.17818	0.7
188.12508	0.8
189.07648	0.8
203.05600	1.6
218.23608	0.7
221.06638	1.3
263.07861	1.5
323.09875	1.4
378.19473	0.9
396.13599	0.8
411.20245	0.8
423.13193	1.1
453.14435	0.8
513.23505	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	513.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99403	1.6
55.51022	2.0
59.01378	100.0
61.98827	12.5
69.03440	3.1
69.28928	10.0
69.29340	4.0
71.01382	45.5
72.37164	2.0
72.99312	4.2
73.02948	48.1
75.00869	2.2
80.19577	1.7
81.03413	1.8
83.01392	12.9
83.04990	3.4
84.06039	1.8
85.02950	13.0
87.00871	5.5
89.02440	11.0
95.01411	2.7
99.00900	4.4
99.04505	5.2
101.02446	31.1
109.06538	1.7
113.02459	17.9
115.04012	3.4
116.60006	1.8
119.03511	2.3
125.02419	1.7
125.06097	1.9
129.39474	1.9
130.04227	1.6
131.03513	3.1
133.10204	1.9
134.07448	2.1
149.09744	13.4
157.08670	3.4
161.04556	4.3
174.03189	15.7
206.02231	9.5
206.03851	1.7
219.13974	2.3
229.08688	59.3
230.08997	2.4
247.16925	2.6
273.18555	8.6
291.19653	33.8
309.17218	3.9
309.20670	2.3
313.55814	2.3
351.08295	2.2
444.85431	1.9
453.24817	5.6
471.26175	10.5
495.33179	5.4
513.19415	6.4
513.26996	67.5
513.34064	14.4
514.27350	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	513.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91990	0.7
54.05168	0.8
56.20456	0.7
59.01377	5.1
60.99304	16.8
61.98811	2.0
69.39974	6.5
71.01369	3.1
75.00872	1.7
86.34294	0.9
88.79677	0.8
88.98798	100.0
89.02438	8.4
109.02908	1.6
123.04457	1.3
135.04494	3.9
153.01898	1.6
163.07611	1.9
201.71272	0.9
210.52855	0.9
242.83781	0.9
247.09639	1.0
469.17126	1.2
478.16107	1.0
512.31207	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	511.3424
Annotation	Acridocarpusic acid B
Peak:m/z	Relative Intensity
53.62897	1.0
54.72768	1.3
59.01367	4.5
67.01881	2.6
69.54518	1.0
70.59545	1.1
71.50333	1.1
77.70462	1.2
80.02635	1.4
81.03444	3.2
83.48645	1.0
98.02711	1.0
101.81081	1.1
167.16008	1.0
197.56001	1.1
242.53842	1.2
265.40198	1.2
283.26425	2.7
328.32599	1.3
391.30045	2.6
392.09421	1.0
407.32999	5.1
451.32162	6.9
467.35233	53.7
468.35596	7.5
511.34241	100.0
512.34698	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	512.0678
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.0
61.98827	11.9
71.01371	0.6
73.02971	0.6
97.06548	0.8
98.20641	1.4
101.02444	0.6
115.07767	0.4
117.03459	4.7
123.04516	5.6
123.96160	0.4
129.03392	0.6
141.05530	0.6
145.02959	2.3
147.04465	1.5
153.05574	6.4
163.04015	1.3
166.30145	0.4
173.02486	2.8
191.03503	0.6
201.01909	100.0
201.85942	0.4
202.02257	4.1
247.62788	0.4
266.07532	0.4
270.18903	0.6
319.80539	0.4
402.34061	0.4
487.48810	0.5
513.19489	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	513.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	14.0
71.01372	15.4
72.99291	6.9
75.00876	53.4
82.55451	3.5
85.62235	3.3
87.90842	3.2
89.02433	9.5
96.96004	3.1
99.00867	32.9
109.03014	4.0
115.00339	3.8
117.01945	5.3
117.03473	4.2
129.03465	20.1
131.05008	4.3
133.02983	4.3
135.03000	100.0
135.04530	14.4
137.22623	3.0
141.03419	3.4
143.04965	4.1
145.02994	4.7
147.04533	29.2
149.02377	4.1
157.02913	4.5
159.02988	12.7
159.04465	7.1
161.02425	12.5
171.04422	7.4
173.02357	6.9
175.03949	7.3
177.01894	16.2
179.03529	9.2
185.02393	22.8
187.04013	23.4
188.40608	4.3
189.01917	20.8
190.02560	7.4
191.00162	4.8
191.03500	16.7
198.03178	4.8
199.03923	7.5
201.01869	14.2
202.02713	7.6
203.03497	53.9
205.01427	4.1
206.95857	3.2
213.01904	9.3
215.03482	28.5
216.00650	44.5
216.99124	7.9
217.01305	15.3
217.04887	4.4
219.02989	41.0
227.03471	10.5
228.00633	5.0
228.04169	4.9
229.01407	96.8
230.02080	18.3
230.99377	6.9
231.02956	37.1
234.01744	6.7
234.99268	8.6
242.02142	6.0
243.02982	24.4
244.00026	9.8
245.00899	8.5
245.04575	8.0
248.97307	6.0
249.03957	19.0
255.02948	9.3
256.03677	5.3
257.00925	47.9
257.03836	5.3
257.04486	4.8
258.01556	15.5
259.02512	34.2
261.04092	16.3
269.01117	4.5
270.99442	5.0
271.02451	33.7
272.02927	4.3
273.04080	9.9
275.01868	4.4
282.81619	3.8
284.03177	10.4
285.00430	62.0
285.03592	5.1
287.02017	26.4
289.00302	8.9
289.03510	24.3
299.02017	4.3
300.02655	13.7
301.03384	19.4
303.05118	9.3
305.02951	4.7
313.03726	8.1
315.01453	57.5
317.03064	7.0
317.06595	4.1
319.04510	6.3
321.06052	6.3
330.03635	5.0
331.00919	5.5
331.04550	56.2
343.04483	7.3
345.02328	7.7
347.04129	12.8
349.05627	7.3
361.05634	35.1
375.03635	37.5
377.05127	20.9
379.06802	6.6
387.03583	16.1
389.04871	3.8
391.06723	6.2
393.04633	59.6
394.04660	4.0
395.06161	4.2
405.04593	79.6
406.04868	6.2
423.05688	31.0
433.07623	9.0
435.05237	4.3
451.08865	34.0
467.08322	18.3
477.06726	14.2
495.07724	59.0
513.08875	77.1
514.09399	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47623	0.4
57.03454	0.7
59.01365	0.6
69.91172	1.9
83.05012	0.5
89.90987	0.4
97.06578	0.5
97.73516	0.3
97.80309	0.4
98.20658	0.4
111.08170	1.6
122.70158	0.4
131.64708	0.4
135.91985	0.4
160.41168	0.4
165.12834	21.9
166.13205	0.8
183.13889	100.0
184.14230	2.9
206.65163	0.4
209.11775	4.2
220.84225	0.4
227.12875	18.1
239.40515	0.4
283.15512	0.9
301.16547	12.0
302.16934	0.7
331.26404	1.0
449.29004	1.1
467.30005	1.7
493.27991	1.5
511.29056	33.8
512.29346	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	511.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.5
59.01373	0.5
61.98830	0.4
70.97835	0.5
70.98158	0.4
82.99107	0.3
83.17368	0.3
97.06590	0.9
111.08170	1.9
111.08831	0.3
129.19728	0.3
130.15831	0.4
147.84856	0.3
148.82281	0.4
159.41722	0.3
159.50880	0.3
163.11386	0.3
165.12834	21.0
166.13167	0.4
183.13884	100.0
184.14252	3.3
209.11794	4.5
227.12863	16.4
228.13271	0.7
283.15466	0.9
301.16574	11.1
331.26474	1.0
339.96396	0.3
342.42563	0.3
396.88885	0.4
449.29077	1.0
467.30148	1.7
493.28217	1.9
511.29050	29.9
512.29279	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	511.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78321	0.5
57.03438	1.2
59.01376	4.8
61.05467	0.5
61.98837	0.7
69.18551	0.5
69.38322	3.9
71.01388	2.4
73.02941	1.5
83.01413	0.5
85.02949	2.1
87.00891	0.6
87.04517	6.6
95.01411	0.6
97.02962	1.2
97.06601	0.5
98.20726	0.9
99.04543	0.9
101.02450	1.9
108.02173	35.6
109.02444	0.7
111.08164	0.6
123.04523	12.7
125.02449	1.1
125.06082	0.7
135.08167	0.8
137.09738	4.9
139.07726	1.1
149.09689	0.6
152.01147	76.0
153.01459	2.5
155.10776	24.4
156.11206	0.8
163.11288	0.7
167.03487	100.0
167.10680	0.9
168.03844	3.1
169.12352	0.6
177.08958	0.5
179.10764	1.9
181.08755	2.8
181.12428	0.5
191.10750	1.8
195.10245	1.7
199.09750	32.0
200.10088	1.0
213.11360	1.3
241.10802	9.5
253.10843	3.6
255.12347	2.4
283.11838	15.6
290.64334	0.5
313.69009	0.5
343.13956	6.4
511.18179	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	511.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.7
57.03450	1.2
58.00595	0.6
59.01382	42.4
60.01721	0.5
61.98839	1.7
69.03474	0.6
69.65827	1.8
71.01384	16.5
71.36536	0.3
72.01733	0.6
72.99302	2.0
73.02951	18.2
74.03305	0.4
75.00887	1.0
81.03461	0.6
83.01391	4.3
85.02953	4.2
86.00108	0.7
87.00895	1.3
89.02448	4.7
92.99383	0.3
95.01405	0.9
97.02959	0.7
99.00891	1.2
99.04522	2.1
101.02446	15.5
102.02842	0.3
107.05051	0.5
108.02172	0.4
109.03000	0.3
111.00871	0.5
113.02455	5.3
113.99593	100.0
115.00397	25.7
116.00676	0.3
119.03519	1.3
125.02471	1.0
131.03514	1.3
133.01439	0.5
135.04546	3.4
143.03528	0.8
149.04613	0.5
153.59181	0.3
156.00626	0.8
159.04572	0.6
161.04567	2.1
167.03523	0.6
179.03554	1.0
201.01906	0.7
245.15454	0.6
285.03598	0.3
287.16516	0.3
289.14343	2.1
289.17072	0.3
301.03180	0.4
315.08771	1.2
359.07504	0.3
447.35193	0.3
448.09561	1.1
511.21893	50.9
512.22345	5.2
512.29535	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.8
59.01378	11.9
61.98825	0.8
69.03455	0.6
69.29011	2.9
71.01379	2.9
72.99297	0.4
73.02934	2.1
80.02653	0.5
83.01379	0.7
83.05057	0.6
85.02951	2.7
87.04506	6.3
93.03432	0.5
95.05025	0.8
97.02968	0.9
99.04542	1.8
101.02431	1.7
106.06590	0.4
108.02181	1.7
109.06596	0.5
111.04530	0.7
111.08173	0.9
113.02454	1.0
115.92059	0.5
121.02965	0.7
121.06599	0.4
122.03751	2.9
123.04522	100.0
124.04838	2.7
125.02448	1.1
125.06109	0.6
134.06172	0.6
135.04498	0.8
135.08147	1.2
137.06068	0.6
137.09692	5.5
139.07675	1.1
139.11290	0.4
140.38748	0.4
148.07744	0.6
149.09705	0.4
151.11246	0.7
152.01138	0.7
155.10777	27.0
156.11082	1.1
161.02443	0.7
163.03961	0.5
163.07701	0.6
163.11285	0.8
165.12822	0.4
167.03497	2.3
167.10750	1.0
169.12335	1.2
179.10805	2.3
181.08688	2.2
191.10757	1.9
195.10297	1.8
199.09743	22.1
200.10197	0.5
201.01962	1.1
213.11317	1.2
223.09834	0.7
225.11308	0.6
227.12894	0.5
237.11345	0.6
241.10799	6.3
253.10783	2.0
255.12454	2.0
267.08865	0.6
283.11850	11.8
284.12210	0.6
295.12003	0.4
343.13950	4.8
352.24649	0.4
450.20309	1.3
467.19174	16.9
468.19620	1.7
511.18179	5.6
511.24936	0.7
512.19049	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70584	1.4
55.01870	2.7
57.03447	2.0
58.00599	2.0
59.01379	100.0
61.98831	32.9
69.03449	3.2
69.23655	1.5
71.01383	46.0
71.01781	2.5
71.05008	1.8
71.50259	1.9
72.01716	2.7
72.99311	5.9
73.02945	56.2
74.03291	2.5
75.00878	19.7
83.01390	13.7
83.43802	1.5
85.02943	9.1
85.66251	1.6
87.00875	3.8
89.02442	12.1
95.01389	2.0
97.02943	1.9
99.00893	2.5
99.04510	3.3
101.02441	41.9
102.02784	3.3
107.05025	1.8
112.47612	1.8
113.02449	12.2
113.99587	82.2
115.00375	32.7
119.03481	3.3
123.04517	1.6
125.02482	3.0
125.06085	1.9
131.03484	1.7
133.01477	2.8
135.04494	6.9
139.09702	1.7
143.03427	3.7
151.00424	2.0
152.04794	1.5
161.04492	9.7
179.03520	3.3
199.69353	2.1
201.01790	2.0
211.04105	1.6
227.03473	9.1
231.13922	3.4
242.84444	1.8
243.06578	3.3
244.07098	1.9
255.02991	15.4
256.03479	2.7
259.17081	1.7
261.07529	3.6
262.07971	3.4
284.03189	21.5
285.03952	6.3
287.16495	17.3
288.16812	13.8
327.05161	2.6
348.11984	1.8
447.09286	39.8
448.09647	3.5
461.27261	1.7
466.14331	3.0
477.09045	1.9
509.22714	3.1
509.28860	18.6
510.23425	3.0
510.29990	7.5
511.21930	49.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	4.0
59.01122	1.3
59.01382	20.4
61.98825	2.9
69.03465	2.1
69.37550	8.4
70.77019	1.1
71.01384	10.2
73.02966	8.2
75.00885	1.8
81.03471	1.0
83.01385	2.6
83.05019	1.7
85.02948	8.4
87.00903	1.6
87.04516	21.5
87.20580	1.0
89.02436	2.6
90.13686	1.1
93.93803	1.0
95.01349	1.2
96.52151	1.0
97.02922	3.9
97.06539	1.8
99.04498	4.5
101.02439	8.3
108.02176	11.2
109.02959	8.2
109.06579	1.8
111.04449	2.0
111.08157	1.8
113.02492	5.1
113.99573	2.2
115.00372	2.0
122.03744	24.1
123.04529	43.2
124.04858	1.3
125.02454	2.8
125.06102	1.4
127.07637	1.4
135.08176	4.8
137.02451	5.6
137.06100	2.3
137.09706	21.3
139.07635	3.8
139.11229	1.2
141.09250	1.7
149.09734	2.1
151.07643	1.0
151.11281	2.1
155.10777	100.0
156.11089	3.4
162.98140	1.0
163.11255	1.8
167.10768	3.1
169.12299	3.9
177.09070	1.2
179.10765	7.9
181.08716	8.8
191.10777	4.6
192.11342	1.1
193.12283	1.8
195.10237	5.5
199.09758	45.9
199.13380	2.6
200.10060	1.8
213.11340	2.3
223.09676	2.2
225.11325	2.4
227.12878	1.3
241.10785	11.2
253.10680	3.1
255.12321	4.0
283.11871	19.7
284.12173	1.9
297.54489	1.0
343.14081	3.7
351.08774	1.2
467.19202	89.2
468.19476	8.7
493.16870	3.2
511.18140	64.6
512.18628	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	509.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38210	0.5
51.18692	0.4
53.19746	0.5
61.56722	0.4
71.49751	0.6
78.95901	18.5
96.96949	1.6
123.11377	0.4
152.99588	33.0
153.51207	0.5
153.99937	0.6
171.00604	1.8
227.03239	4.3
245.04390	1.3
281.24841	100.0
282.25232	7.0
417.23822	0.8
509.28796	56.9
510.29025	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	510.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	1.5
61.98822	6.6
65.73752	0.8
73.02958	0.7
75.00866	2.5
86.71065	0.7
101.45827	0.7
107.01353	1.0
109.02962	1.4
119.05018	1.3
121.02934	1.9
125.02422	1.5
133.02939	10.6
134.56876	0.7
135.04536	1.3
147.04475	1.2
149.02371	1.2
161.02417	1.2
163.00375	2.1
163.04005	4.4
165.01877	2.4
175.04007	3.0
177.01970	1.6
191.03426	2.1
193.01384	1.9
199.03935	1.3
201.01871	1.3
211.04178	0.9
225.05533	1.4
240.04303	1.4
253.04967	2.1
257.47620	0.9
271.06024	0.8
278.10379	0.8
284.03244	8.9
285.04010	6.9
297.04062	18.0
298.04742	11.7
299.05637	18.2
311.05554	2.5
325.03525	1.4
327.05078	100.0
328.05399	6.1
339.05066	3.0
357.06177	25.9
358.06348	2.1
369.06229	2.4
447.09305	82.3
448.09619	6.4
509.29721	1.3
511.30505	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	33.6
59.01380	18.5
61.32786	0.7
69.28173	6.9
71.01386	3.4
75.00881	1.3
82.02981	2.5
82.74434	0.7
89.02430	2.9
99.04515	21.5
101.02437	8.2
125.02457	3.7
143.03505	1.3
145.07712	62.8
146.08063	2.6
161.04558	10.6
170.07207	3.0
188.08293	40.1
189.08661	2.1
210.10461	1.2
214.09843	33.3
226.09830	1.2
228.11391	1.5
244.10902	3.0
256.10919	16.9
261.12360	1.2
268.10843	2.9
286.11887	2.2
301.65552	0.9
304.13025	30.3
305.11197	2.0
319.51202	1.0
322.14066	100.0
323.14291	5.2
364.15125	2.2
365.14673	3.7
449.15543	1.0
450.91998	0.9
466.18372	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	509.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
68.98872	0.4
70.25327	1.3
78.95901	17.1
85.18069	0.5
86.41512	0.4
91.44356	0.5
96.96970	1.5
98.19872	0.5
117.03619	0.5
135.56026	0.5
152.99591	29.1
171.00642	1.5
202.41422	0.5
215.69713	0.5
219.38069	0.4
227.03255	4.1
241.02890	0.5
245.04295	1.0
281.24850	100.0
282.25204	5.9
417.23843	1.0
509.28827	57.7
510.29279	5.4
536.26971	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.18
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	4.0
57.84059	2.1
59.01380	100.0
60.04531	2.0
60.78132	1.9
61.98819	7.0
62.34137	1.9
69.46822	13.8
69.67644	2.0
71.01381	37.7
72.99323	6.4
73.02943	39.9
75.00872	55.5
83.01400	9.0
83.05051	2.9
85.02946	7.3
87.00883	6.2
89.02454	10.9
93.09838	1.9
95.01414	2.0
97.02945	2.3
98.20624	4.6
99.04517	3.6
101.02445	32.7
113.02483	12.6
115.00376	14.0
119.03529	3.7
122.06086	2.0
125.02422	4.3
133.01424	25.8
133.02988	3.5
135.02995	3.9
135.04497	3.2
152.04845	3.1
159.04515	7.6
161.02489	2.5
161.04617	5.7
174.03268	2.1
177.01929	17.5
187.07565	3.3
189.47157	2.1
191.05626	2.9
203.03603	3.5
215.07150	2.4
217.25250	2.4
225.08946	2.3
227.07072	2.8
231.06755	2.6
231.13745	3.3
243.06693	4.8
271.09747	5.4
287.09598	2.2
287.16531	29.8
297.07602	3.6
465.14645	3.3
473.28088	3.7
509.13647	4.0
509.23026	6.5
509.29242	49.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00284	1.1
55.01854	1.1
57.03446	31.1
58.00571	1.2
59.01379	56.4
61.98806	2.0
71.01389	13.2
72.99284	2.8
73.02959	5.9
75.00867	17.0
78.80841	1.1
79.83289	1.0
80.31205	1.3
82.02961	2.7
83.01345	1.8
85.02936	5.7
87.00844	2.5
89.02388	4.7
98.20679	2.7
99.00859	1.9
99.03929	1.5
99.04508	24.2
101.02439	15.3
103.93433	1.0
111.00858	2.4
111.67562	1.0
113.02392	4.4
115.00323	2.0
119.03403	1.3
125.02473	6.5
125.03181	1.5
133.01376	2.5
135.04524	12.4
145.07710	61.3
146.07977	3.1
152.07103	1.8
159.04480	1.7
161.04546	9.8
169.45004	1.3
170.07182	2.4
179.03493	19.6
188.08290	48.9
189.08405	1.2
191.05522	1.2
201.01814	2.1
203.03279	1.1
213.07516	1.6
214.09834	29.4
227.06842	1.5
228.11195	2.6
238.09669	1.4
244.10709	2.9
256.10880	18.7
268.10709	2.9
287.22141	1.5
304.13025	20.5
309.00073	1.1
322.14050	100.0
323.14035	5.1
332.04965	1.4
364.14902	1.6
365.14282	3.7
449.26959	3.6
466.18845	1.2
491.27969	2.0
497.36615	1.2
509.29050	62.8
510.29465	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	509.13
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	9.7
59.01384	5.6
61.98864	0.3
69.82587	1.8
71.01376	2.5
72.75337	0.3
73.02952	1.9
75.00867	3.0
82.11211	0.3
82.74713	0.3
83.01435	0.4
85.02921	0.7
87.00899	0.4
89.02457	0.8
94.40690	0.3
98.19921	0.4
99.04543	1.4
101.02446	3.4
102.04791	0.5
103.05535	2.5
108.33448	0.3
113.02474	0.7
115.00350	0.6
118.19122	0.3
125.02461	1.1
130.03267	0.7
130.04251	12.2
131.04987	1.1
133.01421	1.0
133.02965	0.7
134.03708	0.4
135.04533	5.4
149.06091	5.5
159.04518	83.9
160.04868	3.8
161.04559	0.3
177.01891	0.4
179.03514	7.3
203.03502	100.0
204.03853	4.7
213.07578	0.5
250.44368	0.3
255.67415	0.3
274.48584	0.3
287.16455	0.5
305.09189	0.6
322.14059	0.4
327.05023	0.5
347.07526	0.5
347.24530	0.6
365.08792	9.1
366.09085	0.6
388.62314	0.4
407.09842	2.3
492.43460	0.3
509.13199	1.5
509.28665	6.2
510.29639	0.5
519.37115	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.166
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.3
59.01377	100.0
60.01710	0.5
61.98798	0.4
62.87439	0.4
66.99595	0.4
69.42944	2.2
69.43348	0.6
71.01382	2.7
73.02934	3.5
75.00890	1.0
83.01390	0.7
85.02978	0.8
89.02460	0.8
98.19909	0.5
101.02432	2.7
113.02470	1.3
115.00371	0.7
117.91366	0.4
119.03513	0.5
122.84391	0.4
128.70152	0.3
135.04549	0.6
136.11232	0.4
139.04071	0.5
149.04591	0.5
151.48123	0.4
161.04567	0.8
175.02553	0.6
176.58011	0.4
179.03510	0.6
211.04002	10.2
212.04605	0.6
224.59142	0.4
227.07121	41.9
228.07516	2.1
229.08771	1.0
245.08313	1.1
287.16592	0.6
449.14352	2.3
509.30154	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	509.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.9
59.01379	100.0
60.01706	1.2
61.98819	2.4
69.13851	2.1
69.14258	7.2
71.01379	9.4
72.99333	1.5
73.02944	6.5
75.00871	10.5
83.01392	1.8
85.02965	2.4
87.00882	0.9
89.02456	3.2
93.03441	1.0
99.04518	1.1
101.02441	6.4
113.02478	3.3
115.00369	3.0
116.92876	1.3
117.03452	1.0
119.03526	1.1
123.04546	2.3
133.01454	6.0
133.02928	4.1
134.03751	0.8
135.04530	19.5
153.05565	0.9
161.02437	60.6
162.02748	1.7
165.05562	1.2
179.03491	29.6
185.00883	0.8
191.05502	1.0
203.03506	0.9
213.07666	1.4
287.16376	1.6
308.08533	0.8
329.23303	1.0
347.24155	2.7
349.77737	0.9
385.21091	0.9
393.11584	1.3
473.31357	1.2
508.28183	1.5
509.27176	4.5
509.33273	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	5.9
59.01384	100.0
60.01697	2.9
61.98826	9.1
66.18388	1.9
68.99551	3.3
69.36902	3.3
69.37304	11.1
71.01018	2.7
71.01386	43.8
72.99315	10.6
73.02953	27.6
75.00880	50.4
83.01387	7.8
85.02960	16.2
87.00867	5.4
89.02445	13.1
95.01391	5.7
97.02965	2.8
97.06622	2.2
98.20685	3.6
99.04501	2.2
101.02451	34.7
112.98559	2.8
113.02458	24.6
113.99538	2.2
115.00361	8.1
116.92862	2.9
119.03502	7.0
120.08189	5.0
121.02995	2.0
122.03679	2.6
122.06117	2.6
125.02448	4.6
127.72124	2.1
131.03482	3.6
133.01477	3.6
135.02985	2.8
135.04547	20.2
138.05566	4.4
143.03529	3.7
149.04517	2.3
151.03978	3.8
159.02997	2.1
159.04485	2.9
161.04503	6.1
164.07120	4.7
175.02461	4.9
175.03868	2.4
177.01917	4.0
179.03476	10.9
190.02704	9.0
191.05644	2.7
199.07620	5.9
203.03349	4.5
215.07152	2.2
222.01538	3.3
227.03427	7.2
229.04878	2.6
230.84224	2.1
231.06630	12.7
231.14049	3.2
241.13451	4.1
241.63759	2.0
243.06631	46.5
244.06732	3.8
245.07909	2.9
260.06836	4.8
261.07669	81.9
262.07965	5.3
274.99817	3.2
285.12616	2.6
287.16605	21.0
302.03223	2.4
303.13440	4.6
305.11395	8.3
329.11493	2.5
329.23233	2.5
347.12473	8.9
347.24213	2.4
391.27206	2.7
423.12943	23.2
424.13464	2.3
447.09265	2.9
449.21933	7.2
449.27499	3.9
465.13919	37.1
491.28378	4.9
509.12411	2.6
509.23608	3.7
509.29083	77.5
510.29773	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	509.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	5.9
59.01384	100.0
60.01697	2.9
61.98826	9.1
66.18388	1.9
68.99551	3.3
69.36902	3.3
69.37304	11.1
71.01018	2.7
71.01386	43.8
72.99315	10.6
73.02953	27.6
75.00880	50.4
83.01387	7.8
85.02960	16.2
87.00867	5.4
89.02445	13.1
95.01391	5.7
97.02965	2.8
97.06622	2.2
98.20685	3.6
99.04501	2.2
101.02451	34.7
112.98559	2.8
113.02458	24.6
113.99538	2.2
115.00361	8.1
116.92862	2.9
119.03502	7.0
120.08189	5.0
121.02995	2.0
122.03679	2.6
122.06117	2.6
125.02448	4.6
127.72124	2.1
131.03482	3.6
133.01477	3.6
135.02985	2.8
135.04547	20.2
138.05566	4.4
143.03529	3.7
149.04517	2.3
151.03978	3.8
159.02997	2.1
159.04485	2.9
161.04503	6.1
164.07120	4.7
175.02461	4.9
175.03868	2.4
177.01917	4.0
179.03476	10.9
190.02704	9.0
191.05644	2.7
199.07620	5.9
203.03349	4.5
215.07152	2.2
222.01538	3.3
227.03427	7.2
229.04878	2.6
230.84224	2.1
231.06630	12.7
231.14049	3.2
241.13451	4.1
241.63759	2.0
243.06631	46.5
244.06732	3.8
245.07909	2.9
260.06836	4.8
261.07669	81.9
262.07965	5.3
274.99817	3.2
285.12616	2.6
287.16605	21.0
302.03223	2.4
303.13440	4.6
305.11395	8.3
329.11493	2.5
329.23233	2.5
347.12473	8.9
347.24213	2.4
391.27206	2.7
423.12943	23.2
424.13464	2.3
447.09265	2.9
449.21933	7.2
449.27499	3.9
465.13919	37.1
491.28378	4.9
509.12411	2.6
509.23608	3.7
509.29083	77.5
510.29773	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	507.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99433	0.5
61.93068	0.5
70.98527	1.3
78.95901	20.8
94.46572	0.6
96.96964	1.9
107.76528	0.6
152.99579	33.2
171.00630	1.1
227.03204	5.2
245.04320	1.6
257.23853	0.6
261.22125	0.8
276.46692	0.5
279.23270	100.0
280.23608	6.2
415.22589	1.1
507.27213	54.2
508.27579	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2804
Annotation	glas#20
Peak:m/z	Relative Intensity
50.69659	0.6
53.32263	0.6
55.01867	0.9
57.03437	2.3
59.01378	26.6
61.98823	2.3
65.66995	0.6
68.51469	0.6
71.01379	14.9
71.50667	1.3
72.99301	1.7
73.02556	1.1
73.02946	16.6
75.00850	1.0
83.01379	1.0
83.05011	0.7
85.02943	4.7
87.00874	1.1
89.02445	7.2
95.01402	0.7
99.04491	1.2
101.02446	8.2
109.02968	0.7
113.02438	4.0
115.00347	0.8
119.03493	2.5
135.04485	2.4
161.02382	0.8
161.04567	1.6
165.37390	0.6
179.03548	1.6
183.13536	0.8
191.05539	0.8
197.19189	0.9
209.19061	7.3
225.18604	11.0
237.22188	3.0
253.18179	3.6
265.21704	2.3
271.19113	31.9
272.19360	1.7
283.22803	9.7
301.03064	0.8
309.20718	0.8
327.21698	3.9
345.22784	10.7
345.26657	1.3
387.23679	0.9
433.24377	15.7
434.24896	1.2
445.27917	2.5
489.26987	2.0
507.27994	100.0
508.28445	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	507.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.9
57.03447	2.4
58.00597	0.5
59.01379	90.2
59.64399	0.3
60.01722	1.2
61.98836	0.7
71.01379	9.5
71.50044	0.5
72.99316	1.0
73.02942	4.8
75.00867	1.7
81.03448	0.5
83.01381	2.2
85.02950	6.9
85.03465	0.4
86.00098	0.4
87.00898	1.0
88.98802	0.4
89.02456	1.2
95.01394	0.9
97.02962	0.5
99.00861	1.9
99.04530	1.6
101.02438	9.2
103.29706	0.3
111.00880	1.0
112.01685	0.3
113.02449	5.2
114.35855	0.3
115.00391	0.3
115.04021	0.4
117.03471	0.3
119.03537	0.4
122.06114	0.4
123.04555	0.3
125.02413	1.4
129.01920	0.3
130.04257	2.0
133.02899	0.4
135.04530	0.7
143.03494	0.5
145.02902	0.6
146.03723	0.6
159.02948	0.5
159.04489	0.4
161.02449	2.6
161.04573	1.0
171.04555	0.7
173.02426	7.5
174.03206	11.8
175.03651	0.5
181.03191	0.3
183.13803	0.3
199.04007	5.1
201.01932	3.5
206.02197	6.4
219.96768	0.3
243.19650	1.1
257.17508	0.7
267.07214	2.6
285.20563	0.5
303.13589	0.5
319.05151	0.3
339.24939	0.3
340.33847	0.3
343.06137	0.6
345.07651	25.4
346.08118	2.1
375.27325	0.3
387.08765	0.4
387.23941	1.3
403.27032	0.3
405.24988	2.8
429.24811	0.5
447.25720	2.8
465.26965	3.3
489.26993	5.6
490.27435	0.3
507.12289	4.7
507.28012	100.0
508.13022	0.7
508.28387	10.4
527.28015	0.4
532.61383	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38093	6.2
59.01385	100.0
61.98837	12.0
71.01382	63.7
71.50549	8.4
73.02936	46.6
83.01402	16.6
85.02972	9.3
99.00945	5.7
101.02450	44.6
105.58225	6.2
113.02476	15.0
123.57964	5.8
156.88885	5.8
170.07381	5.4
185.09685	7.6
189.09113	5.4
189.59592	5.3
215.10776	13.6
241.08727	7.3
259.09763	59.6
273.11212	9.5
301.10965	9.4
319.55020	5.2
345.29980	6.8
507.34668	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	507.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05895	0.2
57.03449	5.5
59.01379	14.0
60.01727	0.5
61.98849	0.5
71.01379	5.9
71.50419	0.4
71.50809	0.3
72.99332	0.7
73.02946	2.7
75.00867	2.7
81.03474	0.6
83.01395	1.0
83.05035	0.5
85.02957	2.8
87.00880	1.3
89.02438	1.4
94.97552	0.3
95.01399	0.4
97.06593	0.3
99.00864	0.9
99.04519	5.1
99.08158	0.3
99.82450	0.3
101.02437	4.0
102.15884	0.2
113.02438	2.7
115.00366	0.3
117.03448	3.2
118.01707	0.2
119.03473	0.5
119.05016	0.5
125.02438	6.5
129.01967	0.3
129.03539	0.2
132.54335	0.3
135.04539	0.7
143.03529	0.4
145.02963	1.5
147.04504	0.6
157.02942	0.6
161.02451	0.3
163.04022	0.9
173.02473	2.4
185.02428	0.7
201.01923	100.0
202.02246	3.9
229.06744	0.3
239.38155	0.3
243.02939	0.6
249.06247	0.7
255.02736	0.3
255.70975	0.3
267.07242	3.2
273.02972	0.5
285.20654	1.0
303.13440	0.3
303.21790	2.5
305.08743	0.6
345.22668	0.7
373.99857	0.3
386.65964	0.3
447.20477	0.3
447.26099	3.3
465.27014	4.8
466.26669	0.4
506.26254	0.6
507.10632	0.6
507.17667	1.7
507.27942	26.0
508.28046	1.8
527.16638	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.3
57.03448	3.5
58.00575	0.6
59.01377	100.0
60.01727	1.1
61.98832	1.0
64.02341	0.5
69.03451	0.6
69.38683	1.3
69.39117	2.6
71.01381	22.2
71.05028	1.3
72.99321	1.2
73.02943	9.5
75.00874	0.7
81.03482	0.6
83.01386	3.6
83.05031	3.5
84.59647	0.5
85.02952	11.4
86.00095	0.5
86.98564	0.4
87.00877	2.1
87.04530	1.3
89.02431	2.8
89.10768	0.4
89.44924	0.4
95.01394	3.1
97.02962	1.6
99.00877	3.1
99.04552	1.6
101.02442	14.6
101.06088	1.2
108.02170	0.5
109.06596	0.7
111.00904	2.0
111.04559	1.2
112.01704	0.8
113.02452	11.1
115.00368	0.7
115.04012	0.6
115.07711	0.5
119.03520	1.2
121.02957	0.5
122.05022	0.4
124.01652	0.5
125.02492	1.9
125.06107	1.5
128.03606	0.5
129.01935	0.6
131.03542	0.4
133.01436	0.5
135.04567	0.7
137.09738	0.5
139.04031	0.6
143.03511	1.7
145.08707	8.2
149.02437	0.4
151.00360	1.0
155.10719	2.5
159.03011	1.2
159.04561	1.4
161.04547	6.0
164.09773	0.5
176.76698	0.4
181.05911	0.4
183.13910	0.5
185.39360	0.4
187.04102	0.8
193.01385	0.6
199.09865	1.3
203.03490	1.1
226.02454	0.5
227.16597	0.5
241.10907	0.9
243.03096	1.2
255.02975	2.2
256.03369	0.5
271.02414	5.0
283.06091	1.0
283.19275	0.9
299.22385	0.6
300.02759	8.0
301.03513	4.7
301.06989	0.6
301.20450	0.9
301.23788	5.1
345.17188	1.1
359.21094	1.0
361.29663	0.9
389.16229	0.7
415.27335	0.5
427.23575	1.4
443.26834	0.8
445.28287	50.2
446.28613	4.6
463.29480	16.3
464.29913	1.2
487.19528	0.5
487.25339	2.4
505.10092	4.4
505.18790	0.7
505.26111	13.5
506.10303	0.8
506.26645	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	505.2577
Annotation	Amoritin
Peak:m/z	Relative Intensity
52.84015	0.6
57.59700	0.6
59.01381	0.7
62.22299	0.5
69.42160	0.6
71.26257	0.8
71.26612	0.8
78.95911	23.3
96.96970	2.0
102.11945	0.5
138.43111	0.6
152.99594	38.5
171.00677	1.8
227.03264	6.0
233.22687	0.8
245.04318	0.9
277.21732	100.0
278.22110	5.4
413.21085	1.1
505.25754	63.8
506.26132	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	505.3021
Annotation	Cepafungin III
Peak:m/z	Relative Intensity
53.35897	0.7
54.34857	0.7
57.03444	1.9
59.01381	13.2
67.01909	0.8
68.99815	1.2
69.03456	1.0
70.81880	1.5
71.01383	11.5
72.99311	4.9
73.02934	1.9
75.00878	16.0
83.01409	1.0
85.02954	17.8
87.00874	6.7
89.02457	3.8
90.23514	0.7
95.01395	4.0
95.24886	0.7
98.20058	0.8
99.00883	10.2
99.01514	0.6
101.18276	0.6
103.00383	1.2
111.00863	1.3
113.02457	23.6
115.00370	1.7
117.01940	2.5
129.01921	1.2
151.99255	0.6
163.11942	0.7
175.02545	3.2
205.07196	1.5
230.79907	0.7
231.05148	1.9
249.06158	18.9
250.06387	1.0
255.23303	100.0
256.23633	6.7
267.07202	2.8
273.18799	0.7
345.30392	0.7
355.73654	0.8
445.27649	1.1
487.29190	4.0
505.30191	99.0
506.30438	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	505.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.4
57.03455	2.9
59.01382	100.0
60.01723	1.0
61.98841	1.5
69.03474	1.2
69.25795	2.7
69.26219	1.1
71.01386	23.0
71.05036	1.5
72.99314	1.3
73.02953	7.7
83.01388	4.2
83.05042	3.0
85.02956	13.0
87.00885	2.4
87.04568	0.6
89.02448	6.0
95.01407	2.4
95.05040	0.4
97.02954	1.8
99.00902	2.6
99.04546	1.4
99.46825	0.4
101.02442	12.6
101.06094	1.4
102.06532	0.5
107.38181	0.4
111.00908	1.4
111.04491	0.5
113.02457	13.3
115.00375	1.3
115.03996	0.9
119.03510	1.3
124.01658	0.7
125.02424	1.2
125.06072	1.1
129.01944	0.5
130.04207	0.6
131.03517	0.6
133.01418	0.8
133.02936	0.5
135.04552	0.6
137.02498	0.5
143.03503	1.9
143.57698	0.5
145.08728	6.5
145.97401	0.4
151.00356	1.8
157.05009	0.5
159.03125	0.9
159.04495	6.8
160.45384	0.4
161.02399	1.8
161.04549	5.6
177.01894	2.3
179.03523	0.5
179.05650	0.8
183.13589	0.4
187.04042	1.1
203.03535	3.1
227.16655	0.5
243.02931	1.6
255.02995	3.4
255.19696	0.7
271.02426	6.0
283.13489	0.6
283.19073	0.8
295.62531	0.5
299.22195	0.5
300.02756	10.0
301.03482	4.3
301.10913	0.6
301.20169	1.2
301.23752	7.0
327.15817	1.2
345.17133	2.5
359.20544	1.0
361.18777	1.2
361.29669	0.5
364.76288	0.5
389.16177	0.6
415.14465	0.4
445.28174	39.5
446.28366	3.6
463.29544	14.6
464.29349	0.7
487.25125	0.6
502.14053	0.6
505.09998	5.4
505.26389	19.6
505.32422	0.9
506.26794	2.3
522.99469	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	2.4
59.01384	13.7
59.26592	0.8
60.07764	1.1
61.98849	1.3
71.01377	10.9
71.49586	1.2
71.68496	0.9
73.02937	6.2
79.83486	0.8
83.01381	5.1
83.44737	0.9
85.02943	4.2
87.00839	1.3
89.02454	3.2
99.00862	1.1
99.59555	0.9
101.02462	9.2
109.02954	72.1
110.03239	1.5
111.00882	9.0
113.02452	23.5
115.00383	1.5
119.03513	1.6
119.05009	1.0
121.02966	3.7
122.03740	3.2
123.04581	5.2
125.02457	1.2
128.72005	0.9
131.03497	3.3
133.01416	2.0
133.02937	2.6
134.03734	3.8
135.04536	7.6
137.02440	5.5
137.06062	5.7
139.03993	4.0
143.03505	3.3
144.10422	1.0
147.04495	1.4
149.02438	11.4
149.06108	1.2
150.03261	5.7
151.03975	2.2
161.02422	11.4
161.04564	1.7
163.03998	6.0
165.01791	1.1
175.04054	1.7
175.07430	1.1
177.05586	1.4
179.03496	10.7
179.05087	1.1
179.05653	1.0
180.04257	1.9
181.05011	4.7
187.04053	2.3
189.05539	1.1
191.03580	4.7
191.05167	1.0
193.05054	100.0
194.05339	3.5
195.06621	3.6
203.03625	1.3
205.05061	5.0
207.06567	3.2
212.34763	1.1
221.04625	5.4
223.06201	7.1
231.06610	1.7
232.40115	1.0
233.04488	1.1
234.05281	3.5
251.05580	5.7
253.07182	27.2
254.07500	1.4
255.02974	2.6
255.10249	1.8
265.07050	1.7
275.05664	2.1
277.06961	1.0
283.05554	1.0
283.08331	4.2
289.07111	1.7
307.08209	16.9
308.08737	1.8
315.05063	1.3
343.10101	1.7
445.20853	1.3
476.55008	1.0
487.14862	1.3
505.15881	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.0987
Annotation	Quercetin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
59.01386	2.6
63.02379	0.6
65.00312	1.0
69.40628	1.3
69.41029	2.3
76.69948	0.6
83.01404	0.8
96.96003	7.7
97.27280	0.6
104.44445	0.5
107.01391	3.2
108.02171	2.1
109.02953	1.3
119.48954	0.7
121.02955	2.0
148.01666	1.4
149.02429	0.5
150.05333	0.6
150.99199	0.8
151.00359	12.1
163.00363	3.2
164.01074	0.8
172.17310	0.5
178.99847	4.6
183.04451	0.6
199.03955	1.2
211.03978	1.7
215.03410	1.2
216.04129	0.7
226.02579	1.5
227.03471	3.7
243.02977	11.4
244.03505	0.6
245.04596	0.6
254.02063	2.5
255.00203	0.9
255.02966	28.1
256.03299	2.0
271.02457	60.3
272.02902	5.3
273.03775	0.7
283.02444	2.1
299.02176	2.6
300.02725	100.0
301.03461	48.3
301.08469	0.8
302.03958	2.8
369.38702	0.5
445.07672	2.2
463.08731	2.6
472.49487	0.6
505.09839	52.8
506.10187	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	503.3394
Annotation	6beta-Hydroxyarjunic acid
Peak:m/z	Relative Intensity
50.80454	0.6
57.03436	1.2
59.01381	37.3
60.01713	1.3
61.98825	2.0
66.62405	0.6
69.19595	6.5
71.01382	2.7
73.02953	1.5
79.49089	0.8
80.64728	0.6
85.02962	1.1
89.02474	1.0
98.19861	1.4
99.61634	0.6
101.02431	1.3
104.42218	0.7
113.02422	1.1
123.04528	1.2
125.02467	1.0
137.02420	0.7
151.00360	0.7
167.03510	4.5
251.09265	0.8
325.27719	0.8
341.14099	4.0
341.23236	1.1
342.14426	1.1
363.27014	1.5
370.58743	0.7
377.28650	0.8
379.30060	2.5
391.29962	2.0
393.31821	1.3
401.28458	1.8
403.30508	1.1
407.29636	1.0
409.31122	16.2
409.36462	1.3
410.31250	2.0
411.28918	0.8
421.31079	5.0
425.31110	0.9
435.29050	1.4
441.33826	5.5
453.29996	6.4
454.30667	1.0
457.32947	4.5
473.32758	3.5
485.32831	3.3
503.33768	100.0
504.34113	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	505.0992
Annotation	Quercetin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
58.52433	0.1
59.01374	0.4
63.02399	0.6
65.00327	1.3
69.23174	1.0
83.01394	1.0
90.04205	0.2
91.01904	0.3
93.03430	0.2
98.20696	0.4
101.02440	0.2
103.62431	0.1
107.01398	2.7
108.02187	1.7
109.02959	1.7
118.75613	0.2
119.01414	0.2
121.02960	2.0
124.01665	0.2
125.02456	0.4
135.00864	0.9
136.01637	0.2
137.10095	0.1
139.04039	0.3
148.01662	2.0
149.02405	0.5
151.00375	11.2
152.00739	0.3
157.06664	0.2
159.04541	0.2
163.00400	2.7
164.01115	0.9
165.01949	0.2
167.04968	0.2
171.04544	0.3
173.06136	0.2
174.03207	0.4
175.04002	0.3
178.02997	0.1
178.98260	0.3
178.99852	4.9
180.00266	0.2
182.66142	0.2
183.04529	0.5
185.06099	0.2
187.03984	0.6
187.05507	0.2
188.04778	0.2
190.02744	0.2
190.99889	0.2
192.00742	0.2
193.01465	0.2
198.03229	0.5
199.04002	1.2
201.01944	0.3
201.05482	0.4
202.47125	0.2
203.03441	0.4
205.04918	0.2
211.04005	1.6
213.01985	0.2
214.02406	0.2
215.03481	1.0
216.04254	0.6
226.02725	1.7
227.03510	4.2
228.04024	0.3
229.04944	0.7
231.02859	0.2
239.03546	0.3
243.02991	12.1
244.03484	1.0
245.04486	1.5
254.02229	2.8
255.02989	28.9
256.03329	1.9
257.04254	0.2
266.02060	0.2
271.02475	66.5
272.02899	5.3
273.04001	0.9
283.02518	1.2
299.02069	1.3
300.02753	100.0
301.03470	44.1
301.10577	0.3
302.03824	2.3
313.03287	0.2
343.04611	0.5
445.07608	0.4
463.08923	2.9
464.09061	0.2
505.09885	58.0
506.10205	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	503.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	7.7
57.03438	7.7
58.24404	2.6
59.01379	27.0
61.98823	8.3
69.35521	9.4
69.35944	9.2
71.01382	100.0
72.99296	4.1
73.02939	27.0
83.01394	15.5
85.02950	50.9
87.00867	5.0
89.02448	7.2
95.01385	6.6
97.02996	3.1
98.19845	4.2
99.00880	18.0
101.02435	57.2
113.01717	3.8
113.02444	40.3
118.87909	2.1
119.66418	2.7
124.82816	2.3
125.02500	2.9
138.36749	2.3
143.03470	4.2
143.72105	2.3
146.96727	2.5
150.07155	2.6
151.00375	3.1
159.02943	5.9
161.04536	38.3
173.82777	2.6
181.48050	2.5
246.74358	2.4
257.00793	2.7
281.24747	7.6
297.27997	18.8
298.28311	3.0
341.27011	8.2
459.33212	4.4
503.32339	79.1
504.32535	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	503.3381
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
57.03436	1.6
59.01379	26.2
61.98831	4.5
71.01372	5.4
71.05038	1.3
71.51157	0.9
71.51563	1.4
73.02930	2.2
76.31615	0.8
83.05011	0.9
85.02938	0.9
89.02448	1.4
99.00920	0.8
99.04524	1.0
101.02454	2.5
101.46285	0.9
113.02432	1.9
116.92944	0.9
120.95967	0.8
125.02470	1.1
133.01416	1.0
137.02457	0.9
151.00429	0.9
161.04456	0.8
165.01898	0.9
167.03433	1.6
168.03870	1.1
196.95467	0.8
197.66241	0.9
211.03944	1.0
216.87854	0.7
379.29962	1.1
407.29761	1.0
421.31192	1.6
443.31409	1.4
453.30054	4.9
459.34656	1.1
485.32870	12.2
503.33789	100.0
504.34167	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	503.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.6
57.72718	0.9
59.01380	100.0
60.01715	1.5
61.08579	0.8
61.98815	2.2
62.70510	0.9
63.01858	0.8
65.00327	2.0
69.03448	1.4
71.01378	19.8
71.50778	1.4
72.01695	1.0
72.99307	1.9
73.02956	6.9
75.00880	1.0
79.61305	0.9
83.01402	2.7
83.05003	0.9
83.75537	1.0
85.02943	5.9
87.00842	1.2
87.04468	1.1
89.02447	6.7
90.98568	1.7
96.54202	0.9
96.95978	1.4
97.02976	2.5
97.06567	1.3
99.00852	1.5
99.04522	2.3
101.02448	9.5
101.06013	0.9
109.02964	1.7
109.95992	0.9
113.02459	8.8
115.00376	9.2
119.03489	2.8
125.02468	1.0
126.80330	0.8
131.03462	1.6
133.01433	17.9
135.04562	1.4
140.07167	1.0
143.03474	1.6
143.10818	1.0
155.10867	1.0
159.04500	1.5
161.02399	1.2
161.04546	2.6
165.01942	4.7
174.03189	4.7
177.01923	1.2
179.03625	1.1
179.05594	1.3
189.05608	5.4
193.04945	1.4
221.08180	3.7
233.04555	2.5
265.07056	1.3
277.07080	1.6
281.17593	1.4
283.02597	1.3
284.03125	3.0
299.02078	1.7
299.05496	12.3
341.02936	2.3
343.11795	1.0
367.47430	0.9
387.10641	1.9
399.23831	1.4
443.17157	1.5
459.22397	2.6
461.18381	1.4
503.19452	1.4
503.24823	12.1
524.26160	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	502.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88595	0.8
59.01379	1.3
61.98828	100.0
69.36374	7.3
74.74123	0.8
82.65517	0.7
90.93061	0.8
121.28575	0.8
171.81818	0.8
205.26445	0.8
209.22098	1.1
302.96240	0.8
387.04971	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.0
62.96396	0.2
71.01373	0.3
71.50553	0.1
78.95902	25.3
83.05017	0.1
94.46706	0.1
96.96969	0.4
97.06614	0.1
104.97492	0.1
120.00633	0.1
122.98502	0.2
127.07639	0.2
134.98544	0.2
141.09248	0.1
152.99582	3.0
166.68666	0.1
168.04301	3.8
168.05742	0.2
181.64981	0.1
194.05914	0.1
205.19626	0.2
205.58209	0.1
224.06918	11.3
225.07222	0.4
233.22667	0.4
242.07965	2.8
259.20621	0.5
275.20163	0.4
277.21701	100.0
278.22040	6.4
319.46878	0.1
408.86374	0.1
413.20645	0.2
459.92432	0.1
465.56015	0.1
502.29376	22.8
503.29587	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1199
Annotation	5,3',4'-Trihydroxy-7-methoxy-4-phenylcoumarin 5-O-(6''-acetyl)-galactoside
Peak:m/z	Relative Intensity
52.76326	0.2
53.20727	0.2
56.25291	0.1
58.99424	0.1
59.01376	1.7
63.02407	0.2
65.00327	13.6
66.00661	0.2
68.99815	0.3
69.23479	0.9
69.23901	0.6
71.01379	1.0
73.02943	0.3
83.01407	0.2
85.02961	0.4
89.00335	3.5
89.02454	0.3
89.04006	0.3
91.01896	2.5
93.03484	0.4
93.73385	0.2
97.02956	10.2
98.03223	0.2
98.20605	0.4
101.02454	0.4
106.00647	0.2
113.02467	0.4
113.73454	0.2
121.02956	4.6
133.01961	0.2
133.02969	3.7
147.00882	0.2
149.99600	4.2
152.35959	0.2
165.01944	47.7
166.02299	1.4
175.04004	0.4
178.02711	0.2
186.07790	0.2
196.05354	0.3
198.03133	0.2
199.04024	1.0
201.01941	0.9
212.04761	3.0
213.05516	0.3
214.02676	1.4
215.03398	0.2
223.04095	0.3
227.03503	0.3
228.04274	0.3
229.05072	3.3
231.06645	0.5
239.03490	0.7
240.04286	2.2
242.02223	0.5
243.06741	0.3
255.02979	0.4
255.06697	1.2
256.03757	1.7
257.04468	0.8
271.06104	3.1
283.02493	3.2
284.03259	5.1
299.05606	100.0
300.05942	6.6
503.19995	0.3
503.32590	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15041	0.6
57.03431	0.8
58.02976	10.4
59.01362	2.9
71.01383	3.3
74.02470	4.5
84.04542	12.3
87.00898	1.0
88.04037	32.4
88.63876	0.7
89.02425	2.0
98.02464	1.9
98.06113	3.1
99.00875	0.9
101.02449	1.4
112.21582	0.8
113.02401	1.1
114.05586	2.1
116.03521	1.5
118.05078	4.0
127.48666	0.8
128.03531	2.3
130.05087	11.2
135.04532	1.6
142.05045	1.1
159.02853	1.6
160.06139	100.0
161.00897	1.0
161.04541	1.2
161.06470	2.8
173.39233	0.7
173.81197	0.8
179.05617	1.9
201.49883	0.7
217.84151	0.8
220.03265	1.0
341.10898	1.7
503.15689	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
67.35963	0.9
71.48981	1.3
71.49304	0.9
82.90863	0.8
92.89507	0.8
120.58986	1.0
160.80991	1.0
165.63692	0.9
168.39230	0.9
177.64589	0.9
184.22882	0.8
277.21704	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.9
61.98829	100.0
63.99348	0.9
70.05404	1.7
70.05798	1.8
84.65781	0.8
253.21809	1.4
277.21719	1.8
277.29840	0.8
484.43478	0.9
503.28442	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	501.3592
Annotation	Quercinic acid C
Peak:m/z	Relative Intensity
51.35084	0.6
59.01369	2.7
66.94653	0.7
69.03457	2.6
71.50065	0.8
79.04715	0.7
85.13032	0.7
92.25412	0.6
96.14528	0.8
108.48962	0.7
129.24092	0.8
136.55052	0.7
170.01120	0.7
220.06390	0.7
276.59641	0.9
377.32816	0.7
381.31528	1.3
397.34790	2.7
425.30426	1.3
441.33618	8.7
442.33862	1.2
457.36856	21.6
458.37274	2.4
483.34738	2.7
501.35876	100.0
502.36218	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	502.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.6
58.02972	8.1
59.01376	6.6
69.69437	4.4
69.69840	2.0
71.01378	6.2
74.02457	3.8
84.04531	11.4
84.39620	1.1
84.93835	0.9
85.02931	2.2
85.74726	0.9
87.00887	1.8
88.03523	1.7
88.04041	27.1
89.02435	4.8
95.50375	1.1
98.06028	1.1
98.19998	2.1
99.00818	1.5
101.02426	3.8
112.04028	1.1
113.02388	1.9
116.03516	1.6
118.05097	4.3
119.03473	1.5
128.03542	2.1
130.05099	10.3
135.04460	2.1
142.05072	1.6
143.03445	1.2
159.02950	1.8
160.00752	1.4
160.06143	100.0
161.04518	3.0
161.06589	2.0
161.08139	4.4
179.05557	3.4
181.27078	1.1
185.37213	1.0
191.05595	10.7
192.05724	1.2
198.27335	1.2
219.02922	1.1
220.03300	2.1
221.06520	1.7
328.75854	1.0
338.29938	1.0
341.10803	2.5
350.56534	1.0
354.86880	1.0
378.03915	1.0
382.08563	1.1
456.88110	1.0
503.16122	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	501.3238
Annotation	CHEBI:67909
Peak:m/z	Relative Intensity
59.01381	68.0
61.98826	2.5
64.51669	0.9
69.00806	0.8
69.97361	2.0
69.97775	1.9
71.01383	4.3
73.02946	5.8
85.02968	1.9
87.04527	1.8
89.02450	1.7
99.04486	1.0
101.02474	2.2
108.02189	0.8
113.02422	1.5
119.76889	0.8
125.02471	1.2
152.01039	0.7
165.01865	0.8
167.03499	1.7
169.04660	1.0
184.06221	0.9
261.28024	0.9
321.24429	0.9
323.25974	1.9
391.26385	1.4
393.27997	1.3
407.29593	5.0
423.29211	3.0
425.26788	1.6
437.30856	1.6
439.28595	1.1
455.31650	65.7
456.32129	7.5
457.33130	2.9
458.33228	1.0
461.40536	0.8
501.32166	100.0
502.32529	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	501.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38908	0.6
57.03437	1.4
59.01377	100.0
59.55951	0.5
60.01721	0.8
61.98828	2.9
69.22305	4.9
71.01382	6.6
71.05001	0.6
73.02948	3.4
73.89599	0.6
81.87109	0.5
83.01389	1.0
83.05051	0.6
85.02950	3.2
89.02440	2.7
95.01417	0.7
99.04539	0.6
101.02461	4.2
106.15599	0.7
109.15284	0.6
113.02457	5.1
119.03514	1.2
135.04578	0.8
141.31248	0.5
143.03517	0.8
152.01128	1.1
159.04495	0.6
161.02562	0.8
161.04539	1.2
167.03427	1.2
215.17987	0.6
253.14278	0.6
296.09366	0.6
339.05231	0.7
369.06223	0.6
457.20676	0.8
501.10651	1.8
501.23700	2.5
501.30585	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	501.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36219	0.3
59.01379	100.0
60.01719	0.9
61.98828	0.6
65.08469	0.4
69.19521	0.4
69.21067	1.2
69.21489	2.8
71.01371	1.9
72.68913	0.4
73.02948	0.4
85.02977	0.6
89.02461	0.8
91.63541	0.4
98.20615	0.7
101.02449	1.7
113.02454	1.0
119.03548	0.5
121.41515	0.3
129.78836	0.4
131.75339	0.5
145.76277	0.4
161.04549	0.4
245.64046	0.4
281.57208	0.4
357.26361	0.8
399.23950	0.8
441.24854	0.8
477.00470	0.4
501.30820	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	501.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27217	0.4
59.01379	100.0
60.01711	0.9
70.57514	0.4
71.01392	1.2
71.05421	1.0
80.81738	0.5
85.02941	0.6
87.08659	0.5
89.02457	0.8
94.68048	0.4
101.02456	1.0
113.02579	0.5
117.38400	0.5
132.06250	0.4
151.60027	0.4
151.93961	0.5
162.09181	0.4
191.94443	0.5
247.02235	0.4
324.44690	0.5
357.26740	0.6
399.23993	1.2
414.04031	0.5
485.28989	0.6
501.31067	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	501.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02423	0.2
68.12521	0.3
69.23237	2.1
69.23627	0.6
80.02689	0.4
108.02172	33.3
109.02489	0.9
123.04522	13.4
124.04891	0.3
152.01146	72.8
153.01483	2.3
161.10001	0.2
167.03487	100.0
168.03828	4.0
275.69836	0.3
314.76715	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.0
55.96284	0.9
57.03431	3.4
58.00585	1.1
59.01379	76.7
61.98820	1.1
68.99801	1.6
69.03435	1.1
69.31098	1.3
69.31438	7.8
71.01383	30.9
72.01728	1.3
72.99297	5.5
73.02946	3.1
74.21764	0.9
75.00870	16.0
80.02688	2.9
83.01378	1.7
83.05003	0.9
85.02458	1.9
85.02946	26.7
85.33773	0.8
87.00877	8.6
89.02441	10.8
93.03498	1.2
95.01385	6.4
97.25285	1.1
99.00886	11.3
99.04504	4.5
101.02438	6.3
103.00354	3.2
111.04512	1.1
113.02450	33.3
115.00354	2.6
117.01885	2.4
119.03502	2.9
119.12621	0.9
121.06577	1.4
129.01933	2.5
130.27997	0.9
133.01433	1.4
135.04581	1.7
139.86557	1.1
143.03493	1.1
157.01447	1.0
175.02487	4.0
179.03477	1.0
189.12848	13.9
205.07195	1.6
207.05115	1.1
207.13928	7.5
231.05154	1.0
233.11794	3.6
249.06133	16.7
250.06543	1.3
251.12793	7.8
267.07187	53.5
268.07440	1.9
325.16556	5.5
329.83408	0.9
357.26321	1.2
384.95691	1.0
439.19757	5.5
457.20700	1.5
483.18768	4.5
501.19724	100.0
501.30283	8.8
502.20068	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	501.026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31311	0.5
59.01375	82.8
61.98831	1.2
69.42925	3.7
71.46373	0.5
72.99291	0.6
75.41452	0.5
77.29491	0.5
81.87253	0.5
85.99850	0.5
90.97126	1.0
103.29222	0.6
110.69082	0.6
128.47694	0.7
132.98187	1.7
157.03589	3.7
159.01460	0.9
174.99240	23.4
181.92264	0.5
187.22232	0.5
201.02533	34.7
202.02701	2.5
217.00281	100.0
218.00613	2.7
218.98372	0.6
221.19984	0.6
225.51833	0.6
343.03903	2.5
359.01447	61.8
360.01706	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	501.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23737	0.8
59.01371	1.3
67.50058	0.7
70.64194	1.2
70.64552	1.8
71.01373	1.7
71.41778	0.8
72.22833	0.8
89.02470	0.7
96.96025	1.7
113.02383	1.2
115.00386	1.5
115.05548	1.0
116.92851	2.8
117.07005	1.1
121.02959	0.9
123.04458	1.1
133.02937	1.3
133.06537	0.9
135.04510	3.1
145.06566	1.2
146.03654	1.4
147.04474	3.9
149.02393	1.8
159.04483	2.1
161.06073	8.7
161.83780	0.9
173.05975	1.5
174.03163	1.3
175.03944	1.6
177.01947	9.0
187.04002	0.9
189.01929	6.8
189.05547	2.2
190.02684	8.5
191.03491	9.3
201.01888	0.9
201.05605	0.9
202.02708	1.0
203.03477	15.0
204.04248	2.4
205.05040	9.4
208.03604	0.8
215.03500	2.4
217.01604	0.9
217.04994	2.9
218.02245	1.9
219.02956	26.4
220.03346	1.1
223.86140	0.8
229.01402	0.8
230.02150	1.6
231.02979	15.8
232.03479	0.8
233.04526	19.5
234.04903	1.7
243.03032	1.5
245.04529	13.4
249.04057	4.6
259.02435	0.9
261.04013	100.0
262.04236	5.1
273.04010	14.5
274.04456	1.0
275.05560	2.7
285.04175	1.1
289.03369	1.0
291.05093	39.8
292.05530	2.7
295.09686	2.9
303.05087	4.1
321.06058	4.6
323.49670	0.8
327.05051	0.8
333.06006	1.7
357.11874	1.0
363.07123	2.9
381.08243	23.5
382.08646	1.8
393.08038	1.7
411.09280	14.6
412.09753	1.7
483.11505	1.8
501.12534	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	501.1248
Annotation	Daphneside
Peak:m/z	Relative Intensity
59.36030	0.4
62.53217	0.3
65.00310	0.5
69.62324	0.4
71.22656	0.6
73.01955	0.4
95.52558	0.4
103.05553	2.1
105.03484	0.5
109.02942	1.0
119.05021	1.9
123.04501	1.5
133.02994	0.5
135.00923	0.4
135.04532	0.5
146.03622	0.5
146.82549	0.4
147.04514	17.3
148.01601	0.5
149.02368	0.5
159.04471	0.5
161.02386	0.9
163.04021	0.5
175.03958	0.6
176.01128	1.3
177.01913	7.4
189.01904	7.9
190.02716	8.0
191.03494	55.2
192.03847	1.7
201.01888	3.9
203.03500	4.7
215.03473	2.4
217.01428	0.6
218.02161	1.2
219.02966	100.0
220.03294	4.8
223.05898	0.4
229.01312	0.5
231.02931	4.8
233.04553	0.6
243.02989	4.2
249.03986	5.4
261.04031	1.1
273.03961	0.5
294.22784	0.4
321.06155	0.4
339.07227	1.8
381.08249	62.9
382.08670	4.0
411.09268	2.3
417.56033	0.5
433.03757	0.5
468.40933	0.5
501.12494	22.9
502.12796	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70845	9.9
59.01382	71.8
71.01373	28.8
71.07084	23.8
73.10610	11.9
113.02470	11.4
196.58888	10.5
277.21677	100.0
291.23178	51.7
349.23785	13.3
499.30508	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	499.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58305	1.5
59.01382	100.0
71.04758	2.4
74.70307	1.3
87.13962	1.3
91.03992	2.3
91.47324	1.5
103.59364	1.3
110.67290	1.4
315.85614	1.5
365.27109	9.3
366.27182	1.9
465.26373	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	499.3274
Annotation	Adouetine X
Peak:m/z	Relative Intensity
50.55894	0.5
50.99405	0.5
57.03446	1.7
58.99004	0.6
59.01376	80.9
61.98827	0.7
63.96292	0.6
64.97512	0.5
69.26849	1.9
69.27261	2.8
71.01384	3.2
73.02943	1.1
81.84309	0.7
89.02467	1.6
93.81733	0.6
97.06578	0.7
98.19777	0.6
99.04574	0.8
101.02457	1.5
113.02451	2.0
120.05800	9.7
123.04539	0.7
123.08180	1.2
125.06099	1.3
135.08156	56.7
136.08473	1.4
137.09708	1.5
151.07639	1.0
153.09209	2.6
155.10767	1.4
161.04478	0.7
167.10794	0.7
170.05876	0.6
183.10539	0.5
338.87729	0.7
343.24704	1.0
345.22806	18.4
346.23096	1.3
397.22327	0.7
419.31662	1.5
435.31107	1.5
437.32501	3.1
453.32349	5.4
463.30606	4.3
481.31696	9.2
482.31967	1.6
499.32791	100.0
500.33200	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	500.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04199	2.0
57.67153	1.9
58.71685	1.9
59.01391	2.4
68.40925	2.1
71.01376	8.3
71.49895	2.9
72.99323	2.6
77.21181	2.1
82.83378	2.3
91.92903	2.0
96.96006	3.4
97.12505	2.0
102.17240	1.9
103.05522	2.4
108.13799	2.1
109.02924	3.1
115.00362	30.3
119.05029	3.8
133.01430	91.3
133.02942	3.6
134.01814	2.8
134.03717	2.3
135.04515	22.6
147.04543	17.3
160.04091	15.2
160.63248	2.2
169.92003	2.5
177.01962	15.6
179.03499	23.0
189.01897	6.0
191.03493	40.1
195.23888	2.1
201.01878	3.3
203.03479	11.9
204.03001	7.5
219.02969	100.0
219.45512	2.4
225.45461	2.2
231.02957	8.3
249.04037	16.5
339.07172	18.6
346.61682	2.4
381.08258	7.0
414.91791	2.8
501.12592	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	499.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	3.4
59.01378	72.9
61.98817	2.4
69.21058	8.1
71.01374	5.5
73.02977	1.0
78.69661	0.6
85.02954	2.9
89.02444	3.0
95.01405	0.8
98.20697	1.7
99.04523	3.8
101.02440	3.1
103.16864	0.7
113.02433	3.6
115.00372	1.3
119.03492	1.3
122.03713	5.0
125.02429	1.6
133.01451	1.4
150.03220	100.0
151.03569	2.8
161.04536	1.4
165.05562	87.0
166.05879	1.9
179.47775	0.8
193.12308	1.2
234.13667	0.9
280.81372	1.0
394.21039	0.8
499.18839	1.0
499.29138	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01720	0.7
69.46555	2.4
69.74316	0.3
71.01385	1.3
83.01389	0.4
85.02979	0.6
89.02466	0.5
96.68635	0.4
98.19851	0.7
101.02477	1.0
113.02417	0.4
136.84262	0.3
161.04616	0.5
336.10022	0.7
397.22256	0.7
408.00900	0.4
439.23511	1.1
499.16171	0.8
499.29501	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	499.255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89622	0.4
57.03434	0.4
57.52889	0.4
59.01378	100.0
60.01691	0.9
67.79780	0.5
70.26030	1.7
70.26388	0.5
71.01382	3.6
73.02929	0.8
73.64185	0.4
85.02946	1.0
87.00885	0.6
89.02446	1.0
90.55373	0.4
90.62315	0.4
95.05010	0.6
101.02457	1.5
105.03468	1.7
113.02466	1.4
115.00391	1.4
120.05804	1.3
130.45998	0.5
133.01436	2.0
133.02950	10.1
134.03772	1.2
134.35878	0.4
134.91389	0.5
135.04543	0.5
135.08154	4.3
135.12462	0.5
137.02481	1.2
151.07655	0.6
153.09276	0.4
161.02466	1.0
161.04738	0.5
161.06056	6.3
176.04823	0.6
177.01913	6.5
178.02621	2.0
187.03932	0.7
205.05040	8.7
205.06822	0.7
220.03807	0.9
267.07318	1.2
315.21680	0.6
339.09052	1.2
345.22867	0.9
383.07709	7.8
384.08215	0.9
455.19473	0.7
463.31271	0.6
481.31790	2.2
499.32916	13.3
500.33401	1.6
521.82837	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	65.0
59.32688	10.1
71.01410	13.9
71.04591	17.6
71.04916	19.7
73.02972	15.1
85.02977	12.0
105.20574	12.3
154.99838	11.7
164.47641	11.6
167.24724	10.3
185.95076	10.4
277.21729	100.0
280.81686	12.3
291.23318	55.1
296.12491	11.6
319.22855	16.2
424.53806	14.2
457.85645	13.8
499.21375	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	499.1819
Annotation	Rolapitant
Peak:m/z	Relative Intensity
56.26616	0.3
57.03454	0.4
59.01376	1.2
68.69840	0.3
69.03472	0.8
69.18201	3.1
71.01363	0.7
73.02945	7.5
79.05531	0.6
87.04518	2.5
93.03457	6.8
95.05035	1.3
97.02970	0.9
97.06583	7.9
111.04523	1.0
113.02458	0.6
115.03978	0.5
119.05045	0.5
121.02957	8.1
121.06570	2.3
123.03626	0.6
123.04515	4.8
133.10199	0.3
134.03864	0.3
134.06081	0.4
139.04010	100.0
139.07555	1.6
140.04359	2.3
141.05556	6.8
153.09241	1.4
162.05608	0.6
165.01968	0.8
165.05606	1.0
167.10696	0.4
171.10260	0.4
175.06264	0.3
183.06612	1.0
188.87936	0.4
215.09224	3.4
236.28546	0.3
257.10324	0.5
280.48224	0.3
283.08072	0.4
299.11325	0.6
301.09247	1.0
359.13470	4.2
425.14468	3.4
426.14722	0.5
452.05679	0.4
469.63205	0.4
499.18167	26.0
500.18475	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	499.182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.9
58.00583	1.3
59.01378	100.0
60.01724	0.9
61.98825	1.3
67.01902	1.0
71.01381	19.9
71.50428	1.0
72.99300	3.9
73.02957	2.9
73.16649	0.6
75.00869	10.8
83.01396	1.6
85.02949	17.9
87.00859	6.3
89.02453	7.3
93.03462	1.0
95.01398	3.9
99.00881	7.3
99.04529	2.5
101.02415	3.2
103.00375	2.0
113.02446	27.7
115.00381	1.5
117.01933	1.6
119.03528	1.1
129.01974	2.2
131.03493	1.0
135.04544	1.1
135.08173	0.8
143.62088	0.7
153.17387	0.7
157.01445	1.1
161.04581	0.9
161.13354	7.9
172.97188	0.8
175.02544	1.6
179.05585	1.0
187.11267	1.5
205.07259	0.8
205.12329	5.3
210.14809	0.7
231.05173	1.7
249.06136	17.7
249.08440	1.1
267.07187	60.9
268.07654	2.1
293.14035	1.0
298.53970	0.7
308.70868	0.6
455.12863	1.2
455.19220	24.2
456.20038	1.9
499.18350	8.0
499.33728	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	499.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08390	1.7
53.67303	1.9
57.03445	100.0
58.56610	1.7
59.01069	4.3
59.01374	89.9
69.25859	16.4
71.01376	4.9
81.03456	2.3
85.02943	2.5
96.95975	3.2
99.04514	85.3
101.02438	17.2
113.02421	2.2
125.02431	34.2
143.03520	2.1
188.99467	1.9
254.08327	2.0
447.19675	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	92.5
59.01379	86.0
59.01690	1.9
61.71411	1.5
65.80670	1.5
69.21805	1.5
69.55920	10.6
71.01385	2.5
73.02940	1.9
81.03476	4.2
98.19930	3.7
99.04520	100.0
101.02446	13.1
108.33994	1.5
121.92316	1.7
125.02445	40.5
158.52544	1.7
269.10516	2.3
311.10938	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	499.182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15137	0.8
57.03441	3.3
58.00584	1.3
59.01380	100.0
61.98830	1.3
69.03442	1.9
71.01382	24.1
71.50780	1.0
72.99297	5.6
73.02942	2.9
75.00874	13.0
81.03456	1.5
81.91927	0.8
83.01382	1.8
83.05025	1.2
85.02950	20.5
87.00890	7.9
89.02442	8.8
91.01781	0.8
91.03981	0.9
95.01398	4.2
99.00887	8.0
99.04517	2.3
101.02450	4.8
103.00389	2.5
113.02448	29.9
114.02818	0.9
115.00367	1.7
117.01974	1.5
119.03472	2.6
125.84759	0.7
129.01918	1.9
131.03485	1.0
135.08151	2.1
143.03534	0.8
149.04504	1.4
152.69446	0.9
157.01395	0.9
159.03062	0.7
161.04524	1.4
161.13390	10.4
164.54138	0.7
175.02458	2.2
175.92525	0.8
182.84570	0.8
182.98288	0.7
183.02531	0.7
187.11276	1.5
205.07072	1.1
205.12308	7.1
231.05089	1.1
245.13655	1.1
249.06126	20.9
267.07199	68.1
268.07535	2.9
290.65909	0.8
293.13843	1.5
351.32062	0.8
455.19208	29.9
456.19577	2.6
499.18082	7.4
499.33917	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2754
Annotation	Simplexin I
Peak:m/z	Relative Intensity
55.01881	1.2
57.03451	0.7
58.00596	1.2
59.01380	51.4
60.13642	0.6
61.98820	1.4
69.03426	0.9
71.01382	31.2
71.28830	0.7
71.50616	1.2
71.57903	0.7
72.68218	0.6
72.99309	1.7
73.02946	30.6
75.00854	0.9
83.01386	8.2
85.02956	5.6
86.44300	0.8
87.00881	2.0
89.02446	7.7
95.01377	1.1
97.02979	0.6
99.00887	1.8
101.02441	25.3
109.73460	0.6
113.02441	8.0
119.03490	1.5
125.02465	0.9
129.58759	0.7
131.03493	1.0
143.03485	1.5
149.04532	0.7
161.04546	2.6
179.14412	0.7
205.15831	1.1
223.13449	1.9
247.61314	0.7
275.20129	13.4
276.20486	0.8
277.21716	2.4
293.21237	26.1
294.21500	2.1
387.91159	0.7
437.25494	6.5
455.26498	16.7
456.27271	0.8
497.27563	100.0
498.27872	10.4
523.51129	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1454
Annotation	kn-93
Peak:m/z	Relative Intensity
57.03438	1.3
59.01371	2.5
60.99298	3.6
61.98798	0.7
64.31659	0.7
67.01576	0.7
67.01889	9.7
69.03440	2.6
69.13045	1.9
69.13470	5.6
71.01377	5.0
79.29053	0.6
80.26075	0.6
80.98595	0.8
81.03432	2.0
81.70290	0.7
83.05015	2.0
85.02943	3.7
87.00877	15.3
91.79183	0.7
93.03457	74.8
94.03792	1.3
96.96008	4.8
99.00871	1.8
99.04508	0.9
109.02946	3.2
111.04520	9.9
113.02431	1.3
115.00376	0.8
118.37028	0.6
119.05022	33.8
120.05340	0.9
126.89544	0.8
127.04006	1.2
129.01927	2.7
133.01434	1.2
135.04518	2.9
145.02925	3.3
155.03471	1.7
163.04007	21.7
164.04405	0.8
167.13425	0.7
173.04538	19.6
179.03491	1.1
183.04445	1.1
185.00829	0.9
191.05609	80.1
192.05936	2.6
199.38356	0.6
280.87842	0.7
293.08185	2.9
337.09317	14.0
338.09451	0.8
379.10239	2.3
460.18311	0.8
499.14545	100.0
500.14832	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	497.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.5
57.55141	0.5
58.00597	1.3
59.01378	12.7
61.98833	1.0
64.83778	0.5
69.79002	2.3
69.79405	1.1
70.92802	0.6
71.01380	3.6
73.02937	2.0
79.50974	0.5
81.31489	0.5
83.01385	0.7
85.02944	3.5
87.04519	9.5
89.02459	0.7
89.82333	0.5
93.03453	0.9
95.04501	0.5
95.05034	1.2
95.72816	0.5
97.02942	1.3
97.06569	0.7
97.17699	0.6
99.04519	1.2
101.02451	3.1
109.06576	0.9
111.04488	1.1
113.02422	1.3
122.03730	1.5
123.04522	100.0
124.04863	3.2
125.02400	1.2
125.06059	1.1
133.01488	1.3
135.08136	1.4
137.06125	1.2
137.09723	7.3
138.02977	0.5
139.07625	1.3
151.11264	1.3
153.05573	92.3
154.05943	3.2
155.10774	36.1
155.12074	1.3
156.11119	1.7
163.07655	0.6
163.11287	0.7
167.10771	1.3
169.12321	1.6
177.09148	0.6
179.10770	3.3
181.08757	3.2
181.12230	0.6
183.97755	0.5
191.10805	2.8
193.12451	0.6
195.10239	2.1
199.09756	33.2
200.10036	0.9
213.11336	1.8
223.09648	0.7
225.11348	0.8
237.11244	1.0
241.10806	11.6
253.10806	2.9
255.12300	2.7
283.11853	18.0
284.12143	0.7
319.06024	0.7
343.13925	9.5
344.14325	1.2
497.20267	35.3
498.20358	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	497.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.5
57.03432	1.8
57.71851	1.0
58.59665	0.9
59.01379	86.4
60.01717	0.9
61.98823	4.7
64.09702	1.0
69.03431	2.1
71.01382	61.8
71.49815	1.6
72.99288	3.1
73.02946	63.8
83.00916	1.7
83.01386	20.1
85.02954	7.6
87.00874	2.6
89.02443	11.2
95.01354	2.4
97.02932	1.5
99.00887	1.7
99.04535	1.0
101.02441	52.3
109.16898	1.0
113.02453	14.1
119.03488	4.6
125.02429	2.9
131.03482	3.6
143.03499	4.4
149.04533	2.5
152.66444	1.0
155.03494	1.3
161.04573	7.0
161.07886	1.0
218.39601	1.1
231.21115	1.2
266.29492	1.1
275.20154	34.7
277.21646	1.8
293.21201	24.6
294.21469	2.0
437.25439	8.2
455.26489	19.3
456.26788	1.2
497.27545	100.0
498.27835	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	497.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	39.2
61.98832	7.1
69.03448	2.7
71.01382	14.3
71.50262	2.7
73.02959	5.6
77.16699	2.2
78.39237	1.8
81.05469	1.9
83.01353	1.8
85.02940	3.1
89.02379	2.2
97.97079	1.7
99.04569	2.2
109.02952	6.8
113.02457	3.8
115.00391	3.3
117.89095	2.0
121.02970	6.1
123.04488	2.6
127.21127	1.9
133.01421	6.2
134.03691	12.5
136.05283	5.7
137.06076	12.7
146.54941	2.1
149.06076	8.2
153.01947	7.4
153.05569	2.5
155.10811	2.8
161.02457	3.0
177.09189	41.8
180.04271	2.7
189.09204	41.4
190.09612	3.0
191.71565	2.5
203.10739	3.0
205.12331	60.1
206.12627	3.4
231.10269	7.8
249.11304	100.0
250.11661	7.4
275.09335	2.3
453.17618	49.3
454.18430	5.8
497.16315	3.7
497.24005	2.3
517.62927	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	496.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11563	3.5
51.76397	3.4
59.01379	96.8
60.69981	2.9
61.98818	12.7
67.60111	3.4
69.61303	6.7
69.61714	13.1
71.01380	11.6
73.02940	6.1
75.00826	3.4
83.01380	4.5
85.02928	4.7
92.67892	2.8
95.04990	4.9
100.90532	2.9
106.06597	5.5
110.06067	3.6
114.79132	3.1
115.00309	4.4
120.08225	5.1
122.06136	18.1
123.03236	4.0
123.04523	85.8
124.04861	35.7
124.07664	6.2
133.01416	6.0
136.04066	3.7
136.07669	12.8
138.05632	21.9
150.05634	6.1
153.05576	100.0
153.09093	3.4
154.05893	52.0
161.02415	5.7
161.04521	4.2
172.11243	5.1
188.10727	4.3
202.69746	3.0
215.11862	16.1
239.11879	5.4
241.09970	6.5
241.13422	9.7
242.11940	5.2
243.14941	8.7
266.10468	4.3
267.11356	6.3
269.12881	6.2
270.84311	3.5
287.13876	6.5
293.16656	7.3
305.16672	5.5
313.11865	13.2
319.06213	5.0
321.19724	14.8
336.05856	5.1
350.16174	4.4
357.10919	10.5
360.13654	6.2
365.18723	13.3
374.14890	4.9
390.18143	18.3
409.17679	43.6
434.17194	49.8
435.17224	5.4
452.18179	18.2
453.16647	20.6
478.16013	20.8
479.16779	3.8
496.17310	88.3
497.17133	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67479	0.5
53.28201	0.6
57.03444	0.9
59.01379	100.0
60.01703	1.1
61.98840	2.1
69.28326	4.4
71.01385	5.3
73.02946	4.3
83.01369	0.9
85.02962	2.1
87.04512	53.1
89.02453	2.1
95.01391	0.6
98.19860	1.1
99.04527	0.6
101.02454	3.4
103.04021	6.8
113.02435	4.3
119.03467	0.7
142.16386	0.7
151.07660	1.1
152.08438	2.9
161.04628	0.9
169.31844	0.6
305.16013	1.3
347.17175	0.7
373.17950	0.6
393.21512	0.7
435.23331	3.0
495.31110	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54968	0.8
57.03437	2.8
59.01377	66.7
61.84204	0.8
61.98821	3.2
63.34569	0.7
69.37406	7.1
71.01386	4.2
73.02956	1.6
74.98435	0.8
85.02968	1.2
85.58104	0.8
87.04510	100.0
87.22311	0.8
99.04497	2.5
101.02428	3.1
103.04005	8.1
117.17303	0.8
125.02425	1.2
135.04500	1.2
137.26294	0.8
147.04482	0.8
179.03421	0.8
321.07745	1.5
377.28159	2.4
393.20880	0.9
435.22226	1.2
495.23007	1.2
495.30331	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54968	0.8
57.03437	2.8
59.01377	66.7
61.84204	0.8
61.98821	3.2
63.34569	0.7
69.37406	7.1
71.01386	4.2
73.02956	1.6
74.98435	0.8
85.02968	1.2
85.58104	0.8
87.04510	100.0
87.22311	0.8
99.04497	2.5
101.02428	3.1
103.04005	8.1
117.17303	0.8
125.02425	1.2
135.04500	1.2
137.26294	0.8
147.04482	0.8
179.03421	0.8
321.07745	1.5
377.28159	2.4
393.20880	0.9
435.22226	1.2
495.23007	1.2
495.30331	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	20.3
59.82298	0.4
61.98816	1.1
71.01390	2.3
71.50120	0.6
71.70815	0.4
73.02948	1.3
75.00873	1.0
84.23812	0.4
85.02955	2.8
89.02446	0.5
89.92840	0.4
93.03448	0.6
94.15386	0.4
95.05019	1.3
97.02985	0.9
99.04532	1.5
101.02449	1.4
109.02924	0.6
112.29703	0.3
113.02412	0.9
113.03129	0.4
115.00349	0.4
115.52172	0.4
121.02987	0.8
122.03752	1.0
122.06137	0.7
123.04524	72.3
124.04856	2.7
125.02448	0.6
135.04509	0.4
136.07669	1.0
137.41257	0.4
138.05594	1.8
143.03508	0.4
143.27586	0.4
149.09671	0.6
153.05573	100.0
153.09065	3.1
154.05939	3.0
161.06020	0.5
177.09192	1.3
179.07120	0.4
193.08684	0.4
197.08205	1.0
198.12663	0.3
203.03517	0.4
215.11858	1.1
221.08163	1.6
230.02361	0.4
239.09329	0.7
241.09604	0.5
241.13615	0.6
243.15038	0.6
245.08115	0.5
258.96640	0.4
273.07758	1.3
281.10339	0.5
283.33826	0.5
287.13998	0.7
291.14639	0.7
307.05719	0.5
313.11765	0.5
315.10913	0.8
321.19803	0.9
335.05600	3.7
341.12350	1.0
357.10910	1.2
365.18866	0.8
390.18085	0.9
408.19742	0.5
408.25024	0.9
409.17615	3.2
434.16968	3.5
451.19781	1.6
452.18414	1.0
453.16443	1.5
478.16037	1.9
495.18881	8.4
495.31653	0.4
496.17297	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	495.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	3.5
59.01376	94.4
61.98815	7.9
69.03430	3.8
69.13999	2.3
70.80489	3.2
70.80814	5.8
71.01381	29.5
72.99313	5.3
73.02953	20.2
75.00868	40.0
77.17888	2.5
83.01397	5.2
83.05019	2.8
85.02959	2.3
87.00861	4.9
87.04517	37.5
89.02420	4.7
92.17184	2.3
92.93977	2.6
101.02481	15.0
102.00533	2.1
103.87974	2.4
109.02934	5.2
113.02446	5.1
135.04489	8.7
148.05319	7.3
153.01884	3.7
159.04468	3.9
174.03198	10.2
175.07603	4.4
179.03543	3.7
187.07658	7.3
189.05502	3.1
203.10759	87.3
203.12668	4.2
204.11076	3.8
229.08696	24.7
247.09703	35.6
315.17862	3.0
341.06644	6.7
349.00629	3.1
409.14951	15.5
451.16071	100.0
452.16275	7.3
495.24890	4.5
495.31659	46.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	3.4
58.02972	9.3
59.01381	71.6
61.98825	5.3
70.02972	3.3
71.01385	11.1
72.99306	3.8
73.02946	5.9
73.04073	22.4
75.00877	45.9
82.46169	2.1
83.07594	2.0
85.02953	4.8
85.04108	2.9
87.00855	4.6
89.02444	3.5
96.96037	2.8
97.04095	7.9
98.02481	8.2
99.04515	3.4
101.02463	6.7
102.03517	2.3
109.02899	3.0
111.31598	2.1
112.05175	4.3
112.49481	2.4
113.02450	6.4
113.03600	2.6
115.00394	3.7
115.05135	49.8
118.06648	2.5
125.02426	3.0
127.05115	5.4
129.10329	18.5
130.06227	7.9
133.01408	2.8
133.02939	2.4
134.03745	2.8
135.04535	10.1
139.59444	2.6
141.10390	3.4
142.06294	2.9
143.04539	2.5
145.06194	9.6
147.04526	25.8
151.08798	7.2
152.07120	2.6
154.06178	7.8
155.08252	7.4
161.02412	2.9
164.07172	52.6
165.10315	3.3
168.11470	14.3
169.09804	3.4
172.07332	7.6
177.01936	23.6
177.10265	3.0
179.03497	5.7
181.09912	5.6
186.12459	49.8
198.09085	2.7
200.07135	3.9
225.13496	11.0
233.16658	10.9
242.11972	3.2
243.14687	4.0
259.14569	4.8
267.14685	7.9
273.05505	2.4
277.15482	12.6
290.18866	9.2
303.13666	2.2
326.95010	2.3
334.17752	5.1
346.17642	5.2
347.20953	7.0
373.09232	3.0
373.22217	3.3
388.18640	3.5
433.20816	36.5
434.21173	4.5
445.21082	13.3
463.22000	87.0
464.22479	8.9
475.22195	11.0
493.23172	100.0
493.30338	29.2
494.23193	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	493.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.8
57.03441	2.5
58.00582	0.6
59.01379	31.7
61.98833	1.7
69.16770	4.0
69.17199	1.9
71.01382	12.3
72.99313	1.6
73.02956	3.9
75.00857	1.6
77.02754	0.5
83.01388	2.9
85.02946	4.5
87.00864	0.8
87.04527	1.1
89.02438	6.1
95.01399	0.7
97.02937	0.7
99.00875	0.8
99.04520	1.7
101.02436	7.7
113.02458	3.9
115.00363	0.8
119.03509	1.5
121.02970	1.5
125.02433	1.1
130.04155	0.7
133.01425	0.8
135.04523	4.3
149.06149	1.0
159.04489	2.9
171.10088	0.5
179.03534	4.3
180.04144	0.8
200.96494	0.5
202.02403	0.7
203.03491	3.0
257.17569	0.7
271.09506	1.4
285.24255	0.6
295.22943	0.6
311.22369	0.6
313.23837	12.9
314.24017	1.1
329.23468	1.8
331.24884	28.8
332.25320	2.1
344.23691	0.6
475.28979	0.9
493.30228	100.0
494.30591	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	495.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.3
61.98830	1.3
65.12399	0.6
70.99139	1.7
71.01379	9.2
72.99941	0.6
75.00858	2.5
84.40106	0.7
84.67236	0.6
89.02457	0.8
90.87000	0.6
99.57770	0.7
101.02457	1.1
115.00372	8.6
123.04409	0.7
130.04234	1.7
133.01454	4.7
146.03711	6.0
150.65485	0.8
159.04524	3.1
161.02472	4.2
173.02419	0.9
174.03232	9.8
179.87059	0.7
201.19606	0.7
206.02174	5.5
237.00397	0.7
277.05154	1.1
281.12482	0.6
291.06436	1.3
301.05103	1.0
302.05914	1.3
303.06555	2.5
319.06097	12.1
320.06827	4.7
335.09232	100.0
336.09613	9.1
343.05872	0.8
361.03323	1.2
370.44537	0.8
495.31464	2.5
521.98413	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49268	1.0
54.52985	1.0
57.03432	2.7
59.01376	34.7
61.98805	1.4
69.03471	1.7
70.69510	2.9
71.01377	11.6
72.99292	4.3
73.02958	2.4
75.00864	15.2
85.02950	9.1
87.00863	4.3
89.02424	2.4
89.79582	1.2
90.16422	1.0
95.01394	2.3
99.00878	6.6
99.04539	1.0
99.84566	1.1
101.02441	1.7
106.03564	1.0
113.02438	8.8
115.00344	1.4
117.01935	1.4
139.11255	12.1
181.12317	4.7
183.10229	9.5
225.11224	3.8
243.12318	5.3
249.06085	9.7
317.15921	6.1
400.83640	1.2
422.17212	1.0
431.19144	2.1
433.17102	3.2
433.24060	0.9
475.18127	4.4
493.19223	100.0
493.29828	9.7
494.19522	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	6.1
61.98833	3.6
62.02565	1.3
65.72105	1.3
69.16415	2.6
69.16818	13.2
71.01363	1.7
78.95902	34.0
78.96334	2.9
95.14848	1.5
104.61882	1.4
110.98533	24.4
111.49758	1.7
121.02947	4.3
122.03735	3.6
137.00111	1.5
164.08455	1.8
165.12907	2.4
167.01135	27.3
167.14441	3.9
185.02188	6.3
193.15947	3.4
202.98456	1.6
207.17549	4.6
208.93820	1.6
231.17526	2.3
247.17200	1.8
249.18611	44.6
250.18918	2.0
275.16531	25.6
276.16949	2.6
281.21237	5.1
293.17599	83.5
294.17953	5.4
307.19485	2.2
325.20206	100.0
326.20554	5.4
493.22116	62.0
493.27509	2.4
494.22195	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	493.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	2.5
57.03458	11.9
59.01381	100.0
61.98821	8.2
64.27511	2.2
69.03440	2.0
71.01386	28.6
71.50182	3.1
72.99306	4.3
73.02944	20.8
75.00874	50.2
83.01395	6.1
85.02953	5.4
87.00883	2.7
87.04507	3.1
89.02448	6.6
99.04509	8.5
101.02412	19.2
113.02446	8.2
115.00383	3.5
115.92105	4.3
116.92879	15.4
120.99669	4.8
125.02396	4.5
133.01396	6.2
135.04521	12.2
136.04858	3.7
151.00320	5.1
152.00809	2.9
161.04541	5.2
165.05618	2.6
191.05670	2.9
211.03998	21.8
212.04561	2.2
218.44388	2.4
227.07147	76.1
228.07483	5.2
269.92139	2.2
271.19183	3.2
287.05600	3.4
289.06268	4.9
433.24301	7.9
449.14450	7.1
475.28674	3.1
493.31003	48.5
494.30774	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	493.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.8
58.36056	0.6
59.01377	100.0
60.01706	1.3
61.98823	1.0
68.06686	0.6
70.81177	0.5
70.81550	1.2
71.01377	10.4
72.99297	3.5
73.02943	3.7
75.00871	19.6
80.71053	0.5
83.01396	1.6
84.52836	0.6
85.02950	7.8
87.00882	1.9
89.02444	3.4
95.01407	1.3
99.00880	3.7
99.04520	1.3
101.02433	5.2
103.00416	0.7
106.30285	0.6
109.02944	0.8
113.02435	8.4
113.03167	0.8
115.00348	2.1
119.03539	1.4
125.02401	1.5
128.03531	0.7
139.11296	8.5
147.04527	0.6
155.10826	0.9
157.01419	0.7
161.04625	1.1
175.02467	1.1
181.12320	4.4
183.10242	6.6
203.08417	0.6
211.38013	0.7
225.11234	1.7
243.12305	2.2
249.06056	2.8
289.20215	0.9
317.15955	2.2
320.17313	0.7
391.23279	1.2
431.19031	1.2
433.17035	1.7
433.24258	6.8
447.09317	0.6
451.25375	1.3
475.17496	2.8
475.28903	0.8
493.19073	54.6
493.29892	12.7
494.19342	5.0
494.30185	0.9
515.28650	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03410	2.0
59.01376	42.3
61.98830	10.5
66.08830	1.5
66.70146	1.5
69.59563	7.2
71.01384	13.4
72.99294	1.6
73.02942	9.6
80.74196	2.0
84.75964	1.7
85.02921	4.1
89.02424	6.5
98.20674	2.0
101.02428	7.4
113.02385	3.9
119.03496	2.4
135.04524	3.6
136.07617	1.8
141.01709	5.3
153.01643	1.8
190.02715	14.5
222.01636	5.0
230.05765	2.7
243.06558	6.7
244.07336	9.6
245.08153	100.0
246.08408	6.1
257.62460	1.8
296.11691	2.5
321.97247	1.8
331.24896	14.4
344.14316	2.2
346.15234	2.1
374.18744	10.8
405.12866	2.2
407.13324	21.3
408.13727	2.4
418.17554	10.9
449.14447	27.3
450.14502	2.7
493.30151	54.4
494.19177	2.7
494.30411	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	493.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	3.4
59.01378	41.4
61.98835	8.6
62.73661	1.7
69.13490	12.5
69.13895	5.2
71.01381	15.4
72.30727	2.0
72.99288	2.6
73.02941	19.4
75.00863	14.4
78.25180	1.9
83.01366	4.7
85.02946	2.6
87.00881	2.0
89.02445	3.2
99.04490	4.6
101.02439	12.4
107.65238	1.5
113.02448	5.0
115.64868	1.8
120.99657	4.9
125.02470	2.5
135.04475	3.8
152.41667	1.9
161.04559	2.6
211.03986	36.9
212.88312	2.2
227.07123	100.0
228.07434	5.8
241.74313	1.9
331.12817	6.2
360.64294	1.9
433.24109	4.2
449.14734	12.0
493.24966	1.8
493.29819	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	491.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.2
57.03444	0.1
58.00598	0.2
59.01379	4.4
61.98825	0.1
70.97601	0.3
71.01381	3.5
72.99316	0.2
73.02934	0.9
73.26800	0.1
79.26173	0.1
83.01368	0.5
85.02962	0.9
87.00389	0.1
87.00874	0.5
89.02445	2.9
95.01372	0.3
97.02932	0.2
99.00872	0.2
101.02440	3.8
106.02400	0.1
113.02438	1.8
115.03945	0.2
119.03508	1.1
128.17596	0.1
131.03462	0.2
133.05058	0.4
143.03476	0.3
157.05032	0.2
161.04539	1.5
179.05595	0.5
235.08253	1.3
237.22102	0.2
245.27087	0.1
253.09279	11.9
254.09581	0.4
255.23276	100.0
256.23630	7.2
375.58310	0.1
392.44913	0.1
454.92392	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	493.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.6
67.88980	0.3
69.28206	2.8
71.01385	3.2
73.02933	0.4
76.80107	0.3
88.98268	0.3
88.98823	0.9
89.02467	0.4
100.45485	0.3
107.05033	1.1
109.02952	1.9
115.00378	3.5
123.04521	1.5
133.01459	1.3
134.03726	3.4
135.04521	100.0
136.04860	3.0
137.02440	3.3
151.03967	0.6
153.05586	0.8
166.67615	0.3
179.03488	19.3
180.03748	0.3
203.07294	0.3
245.01047	0.7
260.58954	0.3
299.05826	0.4
315.08704	1.6
317.06741	0.8
333.09644	1.7
359.07687	1.3
377.08743	35.0
378.09378	2.3
399.39627	0.3
493.09674	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.3
59.01376	100.0
69.14830	0.9
69.15057	1.8
69.15471	6.3
70.50767	0.8
71.01378	5.5
72.99342	0.8
73.02938	1.4
85.02941	2.5
89.02427	2.4
99.04516	1.3
101.02433	3.9
113.02459	6.1
115.00334	1.0
119.03495	1.5
143.03407	1.3
154.20554	0.8
161.04536	1.7
222.91724	0.9
227.16557	1.6
264.19632	0.9
371.20660	12.2
389.21426	4.7
431.22733	9.7
432.23209	1.2
491.30829	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	491.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11399	0.7
57.03446	5.9
59.01379	100.0
60.01700	1.0
61.98841	2.6
64.30248	0.7
69.25720	5.3
69.26122	1.5
71.01376	13.5
72.73174	0.7
73.02947	7.1
75.00882	2.3
81.80486	0.9
83.01366	3.9
85.02956	4.4
89.02448	6.6
95.01365	0.8
98.20684	1.5
99.00880	1.1
99.04523	4.8
101.02437	11.4
104.71860	0.8
113.02439	9.4
115.00390	2.4
119.03522	3.0
125.02465	3.1
130.04655	0.7
130.08789	0.9
133.01440	1.7
135.04533	1.0
143.03511	1.8
143.11931	1.0
149.04520	1.2
159.04538	4.4
161.02449	1.8
161.04605	4.5
175.05560	1.3
179.05717	1.1
227.16591	2.6
232.61159	0.7
243.12706	0.8
253.07236	1.3
311.05627	1.7
319.44104	0.8
330.45065	0.8
331.11929	1.7
339.64282	0.8
371.20700	16.4
375.10931	1.7
389.21960	5.2
403.16629	3.1
428.53778	0.9
431.22818	9.8
432.23306	1.4
447.19284	1.3
449.23953	1.3
491.11993	1.0
491.28793	2.9
492.32144	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	3.7
59.01379	100.0
60.01709	2.5
61.01805	0.9
61.98833	1.8
68.99820	1.0
69.03430	1.2
71.01379	20.7
71.26318	1.7
72.99310	3.6
73.02946	25.8
75.00864	11.9
83.01364	2.4
84.02150	0.8
84.45341	0.9
85.02954	20.9
87.00874	6.3
89.02443	8.0
91.00961	0.8
93.03460	1.6
95.01377	4.3
99.00890	7.7
99.04533	1.1
101.02448	2.7
103.00382	2.0
105.07072	1.5
107.05029	2.1
113.02448	29.1
115.00362	3.2
116.92848	2.9
117.01930	1.4
119.03427	1.0
120.01277	2.3
121.06590	1.9
123.08161	13.3
125.02473	7.3
129.01971	1.4
133.01450	2.5
135.04489	3.3
135.08305	1.1
137.02478	1.2
137.09729	1.6
149.06084	3.6
151.00363	3.3
152.01186	1.0
161.02448	1.1
161.04611	1.3
161.09885	1.0
164.59404	0.9
167.07100	4.7
173.06064	2.4
175.02498	2.5
175.03996	1.6
178.99870	2.5
179.10751	1.3
194.26524	0.9
213.37527	0.9
215.07056	1.5
223.09679	4.6
241.10793	3.2
243.06607	1.4
249.06157	15.9
259.06107	16.2
260.06552	1.1
267.07208	42.4
268.07596	1.2
283.06201	2.1
287.05609	9.5
311.30188	1.0
315.14413	3.6
357.14462	1.0
389.41586	1.1
417.13977	9.2
429.17639	4.3
431.15350	1.2
431.22748	3.2
463.12204	1.9
466.51163	1.0
473.16550	1.9
491.17694	96.1
492.18176	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	491.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.4
59.01378	100.0
60.01723	0.8
61.98832	1.0
65.00313	0.5
71.01385	2.8
73.02954	1.0
75.00875	0.9
83.01391	0.4
85.02978	1.3
89.02436	1.9
99.04519	0.4
101.02441	1.8
107.01415	0.8
113.02428	1.8
119.03546	0.5
125.02457	0.5
133.01450	0.4
135.04506	4.5
136.04935	0.3
143.03503	0.3
145.07797	0.3
151.00348	3.9
161.04597	0.5
179.03510	1.1
286.04123	0.4
287.05640	2.4
371.20673	1.7
389.21826	2.0
397.54694	0.3
431.22464	1.6
491.12277	1.2
491.28909	1.0
492.14487	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1208
Annotation	Okanin 4'-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
57.03448	2.1
59.01379	16.6
60.01719	0.8
61.01805	0.4
61.57863	0.3
61.98822	1.1
63.02388	0.7
63.32412	0.3
65.00323	10.8
70.16943	1.4
71.01380	2.3
72.99313	0.6
73.02939	0.8
75.00873	1.8
79.01891	0.5
83.01382	5.5
85.02950	0.7
89.02444	1.3
93.03446	1.1
95.01376	0.5
97.02947	0.4
99.04528	1.4
101.02447	1.6
107.01388	18.3
107.05006	0.6
109.02943	3.3
111.00878	0.4
113.02440	1.6
116.92857	0.5
117.91195	0.4
120.20121	0.3
121.02964	1.0
125.02438	5.7
131.01369	1.2
133.01471	0.7
133.02943	0.8
134.03780	1.9
135.04523	75.8
136.04848	3.0
136.07597	0.4
137.02451	1.0
149.02408	0.7
151.00363	100.0
152.00705	2.5
159.04533	0.5
161.01303	0.3
161.02425	1.9
161.04541	0.9
164.41406	0.3
165.01921	1.7
166.37192	0.3
169.01366	0.6
175.00371	6.4
177.01944	0.8
179.05348	0.4
193.01392	2.8
203.53500	0.3
205.01395	0.7
213.98128	0.4
223.80269	0.4
256.03555	0.4
269.04510	0.7
269.08124	0.6
281.08240	0.7
283.09827	0.6
284.03299	3.0
285.03818	4.9
286.04056	6.8
287.05594	94.8
288.05963	6.3
293.10297	0.5
294.64517	0.3
311.05591	1.2
314.11523	0.7
329.06754	0.6
329.11362	1.0
355.06689	1.5
382.69513	0.3
400.46729	0.4
431.22729	0.6
476.16974	0.7
491.11185	13.4
491.19232	4.9
491.28415	1.1
492.11673	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60812	1.1
57.03431	1.4
59.01380	58.4
60.01707	1.0
61.98825	6.5
71.01372	7.8
71.50615	1.5
72.99315	1.3
73.02956	2.1
85.02958	2.9
87.00890	1.6
88.08335	1.1
89.02425	1.2
89.79668	1.2
101.02487	2.1
113.02445	2.2
115.00336	1.9
116.92876	3.5
121.02941	1.7
135.04515	1.8
137.02455	2.6
150.59363	1.2
177.47617	1.3
205.65518	1.1
209.06094	1.5
210.06825	9.3
211.04027	2.0
211.17194	1.6
225.05618	2.3
226.06332	1.6
227.07048	7.7
240.22301	1.2
254.05820	16.0
269.08173	100.0
270.08463	6.7
287.22272	1.7
375.12650	1.2
428.16028	2.3
449.27786	1.3
491.21567	2.4
491.28366	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	491.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80437	0.8
59.01363	4.1
71.01369	5.4
71.48911	1.8
73.02942	4.9
75.00867	3.9
85.02946	0.8
87.00854	1.5
89.02437	19.6
101.02443	0.8
103.04022	2.9
109.34136	0.8
131.03499	5.4
149.04546	100.0
150.04875	1.8
409.15817	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	489.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.9
57.03441	2.2
59.01384	91.0
60.01691	1.3
61.98826	2.3
62.05672	0.9
69.03455	1.2
71.01026	1.5
71.01390	25.0
71.50607	1.3
72.99292	3.2
72.99655	0.9
73.02958	5.5
74.81206	0.9
75.00887	5.1
83.01369	2.9
83.05026	1.9
85.02464	1.2
85.02952	14.3
87.00866	3.4
87.04490	0.8
89.02448	13.1
95.01382	2.1
95.04990	2.9
97.02977	1.3
99.00872	3.5
101.02446	14.8
107.04977	1.2
113.02460	12.9
115.00340	1.1
117.01904	1.0
119.03481	4.0
125.02389	2.2
127.11268	0.8
133.01424	1.3
135.04521	1.2
139.03973	0.8
143.03476	1.3
155.10774	2.9
159.04486	2.6
161.04530	1.3
163.10191	0.8
163.11324	6.1
165.12798	2.0
169.07101	0.9
171.10292	7.6
175.02403	1.4
177.01985	1.8
181.12279	1.9
201.01839	1.3
201.11230	2.2
203.03493	1.2
207.10208	1.0
211.13338	3.8
225.11348	5.9
225.14969	1.2
227.03532	1.9
229.14500	8.8
231.61972	0.9
239.12903	1.6
247.20531	1.2
249.06155	2.5
255.03085	4.3
284.03302	4.5
285.04019	5.6
285.16925	2.4
285.20367	1.5
291.19662	8.3
292.19846	1.3
309.20663	8.3
327.04950	1.8
327.21783	6.5
369.18842	1.4
387.19955	0.9
413.17972	2.3
429.24850	3.2
447.26276	2.1
489.11038	2.3
489.19754	12.2
489.26862	100.0
490.27075	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	489.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36825	0.4
56.39725	0.4
59.01383	100.0
60.01714	0.9
60.80182	0.4
63.67288	0.4
71.01387	2.4
73.02960	0.5
83.90390	0.4
85.02950	1.0
89.02463	1.1
89.71777	0.4
98.19838	0.7
101.02479	1.2
109.02992	0.9
109.48115	0.4
109.91917	0.5
113.02470	1.5
115.00433	0.9
133.01385	0.5
133.03003	1.3
135.04604	0.6
138.06917	0.9
145.02911	0.7
146.17354	0.4
153.09227	2.9
161.04663	0.5
179.03534	0.8
187.04062	1.6
214.68181	0.4
225.14963	6.3
225.16835	0.5
263.05725	1.3
284.03369	1.0
285.03976	0.6
292.56561	0.5
297.04016	1.0
299.05722	1.8
327.05139	9.2
327.08984	0.6
328.05664	0.8
351.30716	0.4
357.06284	1.5
369.19131	9.2
370.19855	0.6
372.20322	0.4
373.09372	1.9
387.20239	4.1
407.91663	0.5
429.21259	6.9
430.22086	0.6
478.75699	0.5
489.10983	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
60.01703	1.1
61.45526	0.5
70.31448	1.9
71.01397	1.6
81.17186	0.5
83.01411	0.6
85.02938	1.0
89.02397	0.6
94.46339	0.5
97.03002	0.7
99.39768	0.5
101.02442	1.1
109.02940	3.0
115.00389	1.3
120.82710	0.5
121.02921	0.7
126.05686	0.7
127.77467	0.5
133.01407	0.7
133.02945	4.5
135.04524	1.6
138.06935	0.7
145.02968	0.8
147.04411	0.6
153.09189	1.4
161.02431	0.6
163.04013	1.2
173.32787	0.6
175.04071	0.9
179.03400	0.7
187.03958	2.7
193.05054	0.6
199.03964	0.5
219.06664	0.9
225.14978	3.7
241.05031	0.7
263.05667	2.0
284.03192	2.6
285.04065	1.8
297.04041	4.7
297.07239	1.0
298.04797	3.1
299.05597	7.7
300.05896	0.7
309.04413	0.7
327.05032	32.5
328.05215	2.4
329.10324	1.6
339.05228	1.0
357.06189	5.9
369.06470	0.7
369.19016	2.8
373.09412	2.4
387.20221	1.7
393.06467	0.9
426.66473	0.5
429.08643	0.9
429.21439	3.2
432.03851	0.5
489.10446	5.8
490.10770	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83249	0.4
59.01383	100.0
60.01724	0.9
69.49745	2.2
71.01385	3.4
73.02957	1.4
73.92800	0.4
79.34081	0.4
89.02442	0.7
101.02428	1.9
109.02956	2.0
110.45196	0.4
113.02486	1.2
115.00407	1.7
123.36012	0.3
128.68880	0.4
133.01424	2.5
133.02905	1.8
135.04578	2.4
136.12573	0.4
143.03488	0.5
145.03036	0.4
147.04555	0.6
149.04546	0.6
161.02490	0.8
161.04578	1.1
161.05960	0.5
175.03975	0.6
177.01840	0.5
179.03537	1.9
181.17055	0.4
187.04076	1.2
193.05040	0.4
219.06714	1.1
243.06561	0.7
255.06744	0.5
284.03412	0.9
285.04099	0.5
285.11337	0.5
297.04163	1.3
297.07486	0.7
298.04868	0.5
299.02496	0.4
299.05731	1.5
309.04163	0.7
311.05527	0.8
325.03564	0.6
327.05096	5.9
329.10291	2.6
339.05240	1.1
341.06769	0.5
357.06223	0.6
369.06287	1.0
369.19037	0.6
373.09592	1.1
373.33002	0.4
387.20651	0.5
393.05957	0.9
429.08084	1.9
429.21384	0.6
464.49597	0.4
489.10272	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	3.3
57.88683	1.4
58.00583	1.7
58.85061	1.3
59.01378	100.0
61.98828	2.2
62.45864	1.2
64.13452	1.4
67.29409	1.6
68.67085	1.4
69.03448	1.8
69.40572	9.8
71.01382	25.8
73.02949	38.3
83.01402	9.2
85.02956	5.8
87.00837	1.6
89.02444	7.5
101.02441	32.8
105.19534	1.5
109.99274	1.3
113.02442	11.7
115.00351	4.7
119.03489	4.7
123.04483	2.3
131.03476	1.9
133.01411	3.1
135.04549	5.5
143.03456	2.1
148.04092	1.5
149.04564	3.7
161.04533	9.0
179.03421	3.6
211.05914	2.0
227.03506	2.5
255.03014	4.4
284.03275	7.0
285.04013	13.9
297.12531	1.8
309.04022	1.8
327.05026	4.0
355.12827	3.1
489.10413	5.4
489.26703	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	489.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.4
57.03445	5.2
58.00583	1.4
59.01380	55.0
61.98832	1.4
68.99831	2.8
69.03442	1.6
69.65768	7.3
71.01379	25.5
72.99300	8.6
73.02948	7.0
75.00869	26.6
80.02676	3.4
81.03461	2.2
83.01376	1.9
83.05045	2.1
85.02953	30.0
87.00878	11.0
89.02443	9.1
93.03468	1.8
95.01395	8.2
95.05025	22.2
99.00888	15.1
101.02446	4.0
103.00375	3.2
103.55759	1.2
106.06611	3.2
107.05052	2.5
107.08632	1.5
109.06577	2.6
111.00869	2.5
113.02446	36.5
115.00375	4.1
115.03996	1.1
115.70394	1.1
117.01926	3.4
121.06577	2.0
129.02005	1.5
139.00333	1.5
145.10239	1.5
148.08847	1.3
160.03963	1.5
161.04515	1.4
161.09683	2.5
163.09923	1.9
163.11285	37.6
164.11617	1.4
175.02443	4.7
181.12320	12.4
207.10275	9.5
225.11308	56.8
226.11725	1.7
227.64601	1.2
231.05115	4.1
239.12856	11.8
249.06140	44.6
250.06514	1.4
267.07297	2.1
284.03271	2.7
285.03979	2.0
313.11990	2.7
328.62964	1.3
330.15253	1.3
410.05045	1.2
413.18201	18.4
414.18280	2.3
446.16754	1.2
457.17014	3.1
462.34625	1.2
471.18546	3.5
488.32364	1.5
489.19727	100.0
489.26892	21.3
490.19946	8.1
490.27319	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	489.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73226	1.0
57.03442	6.4
59.01380	63.7
61.88135	1.0
61.98829	1.8
67.01895	1.2
68.99816	3.8
69.03487	2.0
69.68991	6.2
69.89809	1.1
71.01381	17.9
71.49663	1.1
72.99326	2.1
73.02947	8.1
75.00882	1.6
83.01388	3.4
85.02953	17.2
87.00850	7.3
89.02447	6.2
91.84534	1.0
95.01401	3.2
95.05029	1.2
95.98711	1.1
99.00858	1.6
99.04530	2.3
101.02459	7.3
111.00893	4.0
113.02446	17.8
115.00368	3.7
115.25970	1.1
119.03500	2.4
119.44754	1.0
121.02982	1.5
125.02465	1.9
129.01913	2.7
130.08725	1.7
133.01430	2.7
135.04550	2.1
143.00136	1.1
143.03641	1.4
145.17445	1.0
149.02419	2.6
157.01427	2.9
159.04486	4.1
161.04553	3.0
163.11296	4.2
164.07178	1.6
175.03882	1.2
179.03511	2.2
181.12332	70.3
182.12778	2.5
189.04094	2.2
203.03490	2.7
207.10303	2.0
224.65062	1.1
225.05594	1.6
225.11316	22.4
225.14816	2.3
227.03545	3.3
231.05092	1.7
254.29523	1.1
255.03058	6.3
263.07715	16.9
267.06537	1.6
284.03198	8.4
285.04041	12.7
285.17203	1.4
286.04504	1.4
295.06119	1.8
299.15060	13.0
309.20871	1.5
327.05212	1.9
327.08771	3.0
337.67438	1.1
413.18155	5.8
445.20718	2.2
457.17093	13.2
471.18900	6.1
489.11728	3.2
489.19864	100.0
489.27008	16.6
490.20151	10.2
490.26813	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	489.1037
Annotation	6''-O-Acetylastragalin
Peak:m/z	Relative Intensity
51.17442	0.4
59.01365	0.6
61.11079	0.3
63.02389	0.5
65.00311	0.5
67.27277	0.4
69.30094	3.2
69.30490	0.8
93.03453	1.3
101.13047	0.4
107.01402	2.7
109.02972	0.7
111.86844	0.4
115.00369	0.6
117.03430	0.5
132.02170	2.0
133.01396	0.6
135.00928	2.5
137.02382	0.5
143.05040	1.1
151.00357	2.1
153.22284	0.4
157.06546	0.7
159.04488	1.7
163.00391	2.5
164.01118	1.3
167.05037	0.8
167.50003	0.4
169.02853	0.4
169.06638	1.0
171.04555	0.7
183.04489	0.9
184.05318	0.4
185.02446	0.8
185.06017	2.2
186.32565	0.4
187.03967	3.8
189.05595	1.1
190.99951	0.5
195.04474	1.0
197.06032	1.2
199.03983	1.3
200.04692	0.7
201.05528	0.7
211.03958	3.9
213.01987	0.5
213.05550	1.6
223.03943	0.6
227.03479	39.3
228.03857	2.4
229.05022	12.2
230.05392	1.0
239.03369	2.1
240.04156	0.5
241.04984	1.2
255.02969	78.4
256.03445	7.2
257.04517	6.3
259.41019	0.4
267.03012	1.1
283.02454	1.2
284.03241	80.4
285.03995	100.0
286.04395	7.8
327.04865	0.6
489.10352	33.9
490.10797	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	489.1034
Annotation	6''-O-Acetylastragalin
Peak:m/z	Relative Intensity
52.47015	0.3
54.92041	0.4
57.03423	0.8
59.01376	13.9
61.98817	0.9
63.45765	0.3
65.00324	0.5
68.58283	0.3
70.81075	0.7
73.02950	1.3
73.92847	0.3
75.00876	0.5
83.01406	0.7
85.02953	1.1
89.02443	0.7
93.03463	1.2
95.01388	0.4
96.00904	1.7
99.00874	0.4
99.04504	0.5
100.74126	0.3
101.02430	1.3
107.01363	2.1
109.02955	0.7
113.02446	1.5
114.01973	0.5
117.03438	0.6
125.02451	0.4
132.02167	1.1
133.01347	0.4
133.02931	0.6
135.00905	1.8
135.04536	0.7
136.07677	0.6
143.05008	0.6
151.00381	2.5
154.04190	0.3
155.10855	0.4
157.06534	0.6
159.04500	1.0
161.04539	0.5
163.00343	2.3
164.01149	1.0
165.01941	0.3
167.04967	0.5
169.06644	0.4
171.04475	0.7
173.17352	0.3
174.91071	0.3
183.04530	0.9
184.05225	0.4
185.02400	0.7
185.06056	1.7
187.03946	2.8
189.05609	0.4
195.04477	0.6
197.06070	1.0
199.04039	1.1
200.04791	0.5
211.03981	2.7
213.02046	0.5
213.05571	1.4
215.03729	0.3
227.03476	27.9
228.03831	1.8
229.05019	9.2
230.05348	0.7
239.03506	1.4
240.04178	0.6
241.05049	1.2
255.02968	51.4
256.03473	5.5
257.04507	5.5
267.03076	0.7
267.07101	0.4
283.02533	1.4
284.03238	68.6
285.03998	100.0
286.04352	6.0
297.12540	0.5
355.12970	0.4
375.08029	0.3
429.08228	3.2
444.35428	0.3
447.09244	0.8
471.30646	0.4
489.10324	28.6
489.31891	1.3
490.10733	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	488.162
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	4.1
69.50201	7.5
71.01360	3.6
74.02453	2.5
84.04504	1.4
85.02952	1.5
87.00866	2.6
89.02448	3.9
98.20569	2.0
99.00840	2.0
100.01193	1.6
101.02415	2.4
102.05607	38.3
103.05940	1.2
116.03519	1.5
122.49709	1.0
127.05138	2.0
128.02583	1.7
128.03537	27.9
129.01956	1.2
141.16899	1.0
145.01405	3.0
145.06181	8.4
146.04588	100.0
146.06487	4.4
146.08195	3.1
147.02951	2.1
147.04930	1.6
179.05592	1.7
191.05577	1.2
266.19046	1.2
341.10767	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	488.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41256	1.1
54.43682	1.2
59.01377	3.5
65.09419	1.3
69.45570	1.1
71.01369	4.0
71.48911	2.4
85.02916	1.2
87.00858	1.9
100.58801	1.5
102.05602	34.9
103.06001	1.4
107.79419	1.1
115.00382	1.7
128.03540	32.0
133.01381	2.4
134.01717	1.3
135.04556	2.5
145.06172	3.8
146.04584	100.0
147.04916	2.2
147.06610	9.8
149.04530	1.1
179.03497	1.8
190.81721	1.1
204.93489	1.2
277.86685	1.2
310.79669	1.1
327.13135	1.2
341.10199	1.1
397.82489	1.4
402.14282	1.4
484.76810	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	488.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	7.3
61.98827	100.0
69.49357	12.0
71.01386	2.1
87.71557	1.9
88.22729	1.6
91.43919	1.7
98.20690	1.7
99.58817	1.8
156.82996	1.8
253.21700	3.3
346.39032	1.8
386.35535	1.9
486.96893	2.0
488.34143	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	487.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	0.7
59.01347	0.6
61.98810	0.7
70.98254	0.9
71.05012	0.8
75.86640	0.5
82.16373	0.4
111.08339	0.5
117.95027	0.5
122.02581	0.5
211.04007	2.1
227.07072	2.8
272.34357	0.6
393.31717	0.9
403.30179	0.7
423.32599	2.0
427.31955	1.6
443.18832	0.8
443.35269	0.8
467.31696	3.0
469.33167	12.6
470.33505	1.6
487.34265	100.0
488.34637	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3427
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
55.11043	0.5
57.03443	5.0
57.58398	0.6
59.01376	5.0
63.98626	0.5
70.97440	0.7
70.97788	1.2
95.05072	0.6
96.36805	0.5
121.44675	0.6
375.29272	0.8
383.33066	0.8
409.31104	1.8
427.32031	2.8
428.44110	0.6
440.07571	0.6
443.35275	26.3
444.35562	3.4
468.58194	0.7
469.33133	6.4
482.05615	0.6
487.34274	100.0
488.34689	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	487.2551
Annotation	MR 387B
Peak:m/z	Relative Intensity
53.92137	0.7
55.01855	0.7
57.03438	2.4
58.00594	1.1
59.01383	100.0
60.01706	1.2
61.98829	4.7
62.01440	0.7
69.03449	1.2
71.01383	24.2
71.05003	1.4
71.50397	1.4
72.99302	2.5
73.02971	5.0
75.00887	1.0
81.03457	1.2
83.01373	2.5
83.05006	1.6
85.02953	8.5
87.00867	2.8
87.04485	1.2
88.61519	0.7
89.02448	13.7
90.80915	0.7
93.03439	1.0
95.01402	1.6
99.00865	1.2
99.04534	1.6
101.02450	11.4
102.87321	0.8
109.06676	0.9
111.04507	1.7
113.02449	7.8
115.00360	2.3
115.03922	0.9
118.73877	0.8
119.03517	5.3
125.02402	1.0
128.03560	4.2
129.10344	1.4
133.01413	3.0
133.02928	1.7
135.04526	3.1
137.09720	1.1
139.04004	1.5
148.22371	0.8
161.02473	1.9
161.04579	1.6
175.02505	1.4
179.03477	3.1
179.05579	0.8
183.62926	0.8
193.05035	2.2
221.15410	3.0
224.09294	0.8
268.03751	1.1
283.15637	1.6
283.19046	2.1
307.19180	5.1
338.11517	1.1
353.13986	2.5
358.17712	1.0
427.23193	3.1
443.19208	0.9
445.24460	5.2
469.24118	4.6
487.25394	91.1
488.25610	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	487.3424
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
50.90777	0.1
57.04707	0.2
58.22506	0.2
58.73994	0.2
59.01371	0.3
61.57598	0.2
70.36436	0.6
70.36794	0.2
74.19853	0.2
74.93380	0.2
94.77741	0.2
95.92365	0.2
137.80566	0.2
363.26904	0.3
374.63235	0.2
379.29935	0.5
391.29932	0.3
407.29697	0.3
408.73080	0.2
409.31137	1.1
410.31897	0.2
421.30972	0.5
487.34247	100.0
488.34604	12.9
488.44986	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98822	2.5
64.49821	1.0
65.67926	1.0
71.01382	9.2
71.19431	2.4
73.02934	3.5
83.01387	1.5
85.02937	4.5
87.00871	1.4
89.02431	2.5
99.00894	1.7
101.01877	1.1
101.02429	6.1
112.88156	1.0
113.02420	3.7
125.46165	0.9
135.04457	1.2
149.97487	1.0
157.83315	0.9
161.04524	3.9
184.72336	1.0
229.08577	2.2
264.54907	1.2
364.00003	1.0
367.21091	2.4
385.22308	12.7
427.23358	4.9
454.86676	1.0
487.34454	10.6
488.35458	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	487.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.1
58.08241	0.7
59.01374	100.0
60.01689	1.1
61.98825	11.1
71.01374	11.4
71.50410	1.1
71.59037	0.9
73.02948	7.5
83.01366	2.1
85.02948	3.9
85.98903	1.0
89.02445	2.9
95.01386	1.0
96.96014	1.9
99.00901	1.2
101.02438	5.7
102.73273	0.7
109.02946	2.0
113.02432	5.3
115.00385	1.6
115.92049	2.3
116.92831	1.2
119.03452	1.1
121.02932	1.1
123.04503	1.8
133.01413	2.5
137.06044	3.6
138.06854	1.4
139.07654	1.0
143.03621	1.0
151.03964	1.4
151.07632	2.7
152.08394	6.9
153.05548	0.8
153.09203	17.5
161.04582	3.8
163.03981	1.5
181.05013	1.1
205.12343	8.6
205.69455	0.8
221.66902	0.8
223.13326	3.4
240.99023	0.7
253.04959	2.5
265.27536	0.9
288.95874	0.9
297.03992	3.6
327.08688	3.0
367.17542	22.4
368.17938	2.0
385.18610	3.9
427.19656	8.0
436.29346	0.8
436.84430	0.8
451.10742	1.1
487.18173	2.5
488.18564	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	487.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	3.6
59.01380	100.0
61.98838	1.4
67.01887	3.6
68.99827	5.0
69.03462	3.7
69.32708	4.0
69.33115	3.3
71.01006	1.7
71.01385	24.3
72.66171	0.9
72.99307	2.5
73.02956	5.1
81.41927	1.1
83.01390	3.7
85.02950	18.5
86.45635	0.9
87.00874	8.1
88.50048	0.9
89.02446	8.9
91.04011	2.7
92.08022	1.0
95.01382	4.7
96.00890	1.2
97.02956	1.3
97.06583	1.1
99.00860	1.0
99.04502	1.5
101.02435	9.2
103.82136	1.0
109.02950	1.2
111.00868	3.3
113.02448	17.3
119.03506	2.5
121.02908	1.3
123.08160	1.2
129.01958	1.9
133.10242	2.4
135.04491	1.7
135.11816	15.7
139.00317	2.2
139.04018	1.1
157.01408	2.2
161.04507	1.6
161.09662	1.2
163.03961	1.3
177.01886	1.9
179.03574	1.4
179.10777	60.3
180.11095	2.6
191.05554	1.5
205.07103	3.5
223.09692	1.5
231.05238	2.4
249.06165	1.8
263.07697	34.2
276.07166	1.4
281.08755	8.1
283.15591	1.0
285.32227	1.1
307.19110	14.0
308.19540	1.2
411.16428	3.1
427.23456	1.6
443.19199	42.1
444.19501	4.8
445.24289	3.2
446.24741	1.2
469.23984	1.4
487.18124	25.4
487.25415	43.1
488.19260	1.9
488.25607	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	487.161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14116	4.0
53.20443	3.6
55.98304	3.7
57.03447	4.8
59.01381	71.9
61.98812	10.7
69.03458	4.7
69.63927	7.8
69.64341	12.8
71.01380	23.3
72.99284	5.3
73.02957	4.1
74.35345	4.0
81.03473	12.6
83.01392	19.2
85.02935	5.3
87.00893	9.9
98.19950	5.1
99.00867	4.7
105.01957	11.0
107.01337	9.3
113.02437	8.2
115.00414	8.0
121.43699	3.5
123.04527	29.0
125.02397	20.0
133.03003	3.9
135.04466	4.6
137.02434	12.2
145.01442	11.8
149.02435	4.4
151.00366	11.2
151.03966	5.4
160.80063	4.2
161.04570	3.6
161.09723	9.4
163.00404	4.3
165.01994	5.4
167.03494	73.2
167.04904	3.6
176.11133	3.9
177.01880	4.4
178.99925	5.7
179.03497	44.5
186.06709	4.8
187.11263	15.3
192.00575	21.8
193.01425	64.8
195.02957	32.4
205.01431	11.1
207.02948	62.5
214.06400	6.6
219.02954	8.3
229.08656	10.9
234.68837	3.6
257.11807	10.0
277.12424	4.5
288.62817	3.8
341.13913	35.8
367.07697	3.8
367.11819	100.0
368.12173	11.0
369.13434	35.7
371.14932	5.6
381.13388	26.9
385.13004	8.0
397.12946	20.5
399.14355	34.9
427.13672	8.1
469.14890	8.5
487.16125	50.8
487.33499	17.7
488.16431	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	487.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98829	30.9
66.66531	2.9
67.18916	2.6
70.25415	11.3
71.01379	46.7
72.90618	2.7
73.02938	42.0
83.01377	15.2
85.02943	11.6
86.15805	3.1
87.00871	2.9
88.04014	3.4
89.02444	22.1
98.20534	3.5
98.50079	2.8
101.02444	41.5
109.02938	13.7
109.41799	2.8
113.02431	14.3
115.00366	6.8
115.55176	2.6
119.03494	6.5
119.05064	4.2
120.01227	5.1
121.02953	4.9
123.04534	3.0
125.02478	4.8
128.03513	4.5
131.03532	4.6
133.01416	10.3
135.04523	4.0
137.06090	7.8
143.03490	3.9
151.07791	3.6
153.01947	7.8
153.09178	5.6
161.04556	9.1
163.04030	3.9
177.01880	26.3
191.03201	3.2
191.05585	3.9
206.09415	5.6
217.04974	4.6
221.09987	4.5
221.11900	7.2
253.05112	3.8
267.06653	5.4
283.15613	4.0
327.08719	12.7
353.06818	5.3
381.08286	5.4
383.16928	3.9
427.19666	11.4
445.20825	4.7
469.18015	3.6
487.19086	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	487.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96677	6.0
70.61655	8.8
70.61993	17.3
71.01385	16.7
87.00877	7.9
98.37708	7.9
102.05592	17.5
115.00334	37.7
128.03574	14.6
133.01425	100.0
135.04503	22.3
145.06087	9.3
146.04594	37.7
176.52838	8.3
179.03468	17.7
212.42368	7.4
225.24261	6.7
232.36746	7.3
263.68829	6.8
293.37299	8.0
321.23773	7.2
349.95047	6.6
382.30008	7.2
415.09625	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	487.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11351	0.9
59.01375	28.9
59.55512	0.8
61.98833	3.2
69.13533	9.5
71.01378	20.6
72.99309	3.1
73.02959	3.5
83.01398	1.5
83.71440	1.2
85.02979	0.9
89.02459	3.9
96.95988	1.1
98.19917	1.7
99.04515	75.4
100.04886	1.5
101.02423	3.7
109.02957	2.5
113.02438	2.9
115.00374	35.7
133.01424	65.1
134.01730	1.0
145.02943	1.3
146.03769	2.3
147.04514	5.0
149.04492	0.9
159.04568	1.1
160.45024	0.9
161.04524	3.6
163.11319	2.6
166.21553	0.8
167.05022	1.0
169.06540	1.4
175.11194	1.4
177.38519	0.9
181.06587	2.5
183.04517	2.8
197.06041	3.6
205.12280	12.5
209.06049	1.0
209.11789	0.9
225.05531	6.8
225.14926	2.7
235.04057	2.2
236.04639	1.8
251.03429	1.1
252.04245	21.7
253.05028	78.0
254.05341	4.3
263.07785	1.1
267.06711	1.3
268.07452	1.1
283.09692	1.9
295.06000	3.0
297.04025	100.0
298.04346	8.0
327.08722	5.4
353.06522	1.7
371.07733	9.7
372.08115	0.9
387.20181	3.5
401.15274	1.2
443.15625	2.0
457.11877	1.0
487.34149	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	486.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.2
61.98829	100.0
62.48449	0.3
63.64608	0.3
66.21030	0.3
68.04327	0.3
69.47422	2.1
71.01391	0.5
73.02973	0.3
78.95950	0.3
96.96002	0.3
109.02962	0.3
133.01422	0.5
135.04524	0.3
169.23323	0.3
226.71039	0.3
253.05119	0.5
297.04117	0.7
317.27988	0.3
409.18359	0.3
426.98544	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.268
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65969	0.3
58.82911	0.4
60.25024	0.3
61.98816	0.9
62.33851	0.3
63.79971	0.4
64.51952	0.4
69.18979	3.6
88.04035	55.4
95.09103	0.4
96.96040	0.5
98.20699	0.6
98.56318	0.4
113.25916	0.4
116.31995	0.3
146.96568	0.5
147.08131	2.0
149.09692	1.9
161.09709	1.1
163.11272	3.1
187.11230	2.3
191.33713	0.4
279.13751	0.4
280.14664	1.4
285.02249	0.4
307.16934	0.8
309.22098	2.4
322.19269	0.8
327.59824	0.4
337.21701	100.0
338.21973	9.0
382.27383	0.7
486.26794	12.1
486.33691	0.8
487.27246	1.7
487.34009	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01710	1.3
61.98832	9.0
71.01369	3.7
73.02942	0.7
83.01390	0.7
85.02950	1.5
87.00893	0.7
98.20694	1.0
101.02457	2.3
104.09138	0.6
113.02442	1.9
121.02924	3.5
130.08768	0.6
161.04623	1.1
162.02338	0.9
177.03479	1.1
401.08936	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	485.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01710	1.3
61.98832	9.0
71.01369	3.7
73.02942	0.7
83.01390	0.7
85.02950	1.5
87.00893	0.7
98.20694	1.0
101.02457	2.3
104.09138	0.6
113.02442	1.9
121.02924	3.5
130.08768	0.6
161.04623	1.1
162.02338	0.9
177.03479	1.1
401.08936	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	486.125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	0.6
59.01378	2.5
61.98830	100.0
71.01398	1.5
73.02956	0.5
87.76488	0.3
99.04520	0.6
101.02452	0.6
103.73662	0.3
109.02982	0.9
113.02514	0.5
115.00398	0.9
116.54266	0.3
116.92879	0.4
119.03538	0.4
120.48322	0.3
128.03625	0.3
133.01483	0.3
135.04521	0.6
137.06020	0.4
144.55264	0.3
153.01967	0.7
179.50311	0.3
189.18726	0.3
193.05154	0.4
194.05562	0.4
252.69180	0.3
254.05933	0.3
260.09946	0.4
261.07648	0.6
264.91534	0.3
306.85812	0.3
327.08884	0.6
328.86462	0.3
366.28482	0.4
445.17389	0.4
468.17892	0.8
470.49875	0.4
486.19003	0.6
486.26154	0.6
487.18530	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.7
59.01380	3.6
61.98828	100.0
71.01389	1.2
71.49955	0.4
73.02956	0.6
80.96503	0.5
85.02946	0.3
99.04482	0.4
101.02433	0.6
113.02466	0.6
115.00362	0.4
128.03511	0.6
229.06114	0.3
271.10883	0.4
302.00647	0.3
349.98370	0.3
357.21539	0.5
375.75372	0.5
443.08649	0.3
486.18832	1.2
486.25360	0.5
487.14902	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2029
Annotation	DHP-mOx-NS-DHB
Peak:m/z	Relative Intensity
55.01880	0.8
57.03448	1.1
58.00577	0.3
59.01379	34.3
60.01714	0.3
61.98825	1.0
68.08008	0.2
69.03450	0.6
71.01380	17.0
71.05028	0.9
71.50798	0.3
72.99308	1.0
73.02942	9.6
75.00842	0.3
81.03463	0.4
83.01382	4.2
83.05009	0.2
85.02950	6.7
85.06601	1.1
86.03286	0.3
87.00866	1.6
89.02454	3.4
95.01392	1.6
97.02948	0.8
99.00890	4.2
101.02441	10.8
104.48399	0.2
111.00868	0.3
112.01650	0.4
113.02453	9.1
115.03992	0.3
119.03492	0.7
124.01660	0.3
125.02418	0.8
125.09753	0.6
129.02005	0.3
130.08704	1.6
131.03496	0.7
139.04022	0.3
142.02725	0.3
143.03505	1.4
149.09714	100.0
150.10057	3.9
151.03984	0.4
159.03018	0.9
161.04546	5.2
164.04820	0.3
179.03572	0.3
183.13976	0.3
191.05605	0.5
203.05537	0.8
211.17044	1.2
233.45631	0.2
249.18576	0.5
263.16516	5.2
264.16754	0.3
311.14978	0.7
323.25931	1.9
341.26740	1.4
353.16013	1.8
369.15598	0.4
375.00476	0.3
425.22092	0.4
443.18948	10.5
444.19604	1.0
455.29483	0.4
467.23068	0.4
467.29971	1.4
468.29419	0.3
485.19882	7.5
485.24066	9.4
485.31186	5.2
486.20691	1.1
486.26663	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2402
Annotation	Taxuyunnanine P
Peak:m/z	Relative Intensity
55.01880	1.2
57.03449	1.2
58.00586	0.5
59.01379	100.0
60.01709	0.6
61.98838	1.1
69.03457	1.7
71.01382	24.3
71.05005	0.5
72.01720	0.7
72.99330	0.8
73.02948	22.4
81.03460	0.5
83.01389	6.4
83.05036	0.7
85.02953	6.0
85.06599	0.7
87.00873	2.0
89.02440	8.2
89.02946	0.8
95.01392	1.7
97.01682	0.5
97.02986	0.9
97.06573	0.5
99.00901	1.7
100.98812	0.6
101.02441	18.0
101.06110	0.4
113.02438	10.8
115.00390	0.6
119.03518	2.2
124.07683	5.8
125.02437	1.1
131.03535	1.3
134.06129	0.7
143.03513	1.7
143.10831	0.4
147.11749	0.4
149.04552	0.7
149.09715	13.7
151.07565	0.4
155.03503	0.7
161.04568	3.5
162.05598	1.3
163.06389	1.3
178.05101	1.3
179.05623	0.5
194.04442	0.4
201.16541	0.8
229.14635	0.6
243.15036	0.9
245.15436	0.6
261.25833	0.4
263.16507	20.3
264.16901	1.3
281.17612	0.6
283.13800	0.5
287.13983	21.5
288.14279	1.6
298.44147	0.5
301.15845	0.5
323.25812	1.0
329.14896	2.1
341.27011	0.5
421.42548	0.5
425.21860	1.9
443.23730	2.3
449.19229	7.5
467.22879	4.2
485.23975	61.2
486.24408	6.2
494.18350	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	4.0
59.01379	61.5
61.98825	3.8
63.23188	1.8
65.00308	3.3
68.99814	2.9
71.01384	28.9
71.50124	1.6
72.99313	5.8
73.02943	2.9
81.03468	10.4
83.01392	19.4
85.02957	5.4
87.00880	5.3
89.02438	6.9
93.03473	3.7
95.01383	4.4
95.05024	2.3
97.02971	2.6
99.00879	4.7
101.02420	10.0
103.45534	2.0
105.01934	9.6
105.03442	3.4
107.01408	11.3
109.02951	5.0
111.00848	3.6
113.02456	7.6
115.00384	9.5
119.03474	3.3
121.02982	3.0
123.04526	41.5
125.02451	22.9
133.01466	2.3
133.02982	3.2
135.04530	5.9
136.01743	1.9
137.02458	9.9
143.05038	3.4
145.01392	20.8
149.02454	10.4
151.00385	8.2
151.04042	10.3
153.01979	3.3
159.08144	16.0
161.02388	2.9
161.04710	3.5
163.00362	4.5
163.03961	5.4
165.01917	4.4
167.03484	87.7
168.03825	2.6
177.01936	3.5
178.99873	7.2
179.03494	49.3
181.05057	3.4
185.09698	12.8
186.10077	2.0
190.99908	3.6
191.03535	4.6
192.00648	18.3
193.01399	75.7
194.01817	3.5
195.02989	29.1
201.01929	2.9
205.01440	8.1
206.02190	2.3
207.02965	72.2
207.04875	4.2
208.03229	4.0
219.03027	7.1
220.03543	1.8
221.04663	3.2
223.02365	2.8
235.02487	3.7
247.02451	4.2
255.10306	8.5
265.03601	2.3
282.85446	2.0
311.05460	2.7
325.07208	2.2
339.12344	42.1
339.16156	3.1
340.12650	5.2
365.10278	100.0
366.10583	11.2
367.11826	53.4
368.12137	5.0
377.10468	5.8
378.11023	3.2
379.11819	27.3
383.11310	7.4
395.11295	17.8
397.12839	40.1
398.13541	2.9
407.11142	2.6
419.11411	6.3
425.12390	13.4
437.12280	6.1
449.12350	5.4
467.13522	8.3
485.14554	60.8
485.32156	7.4
486.14984	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	483.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01675	1.0
61.98828	2.7
71.01393	1.7
71.50220	1.2
95.32424	1.0
101.02448	1.4
117.03492	1.3
134.16133	1.0
150.88452	1.0
163.99649	1.0
170.47107	1.0
193.01546	1.2
233.31682	1.0
242.70523	0.9
367.15451	2.6
483.30640	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	483.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26616	0.4
58.55857	0.5
60.41954	0.4
65.12459	0.4
70.00349	2.1
78.95902	17.8
96.96947	1.4
129.54445	0.4
150.35492	0.4
152.99579	28.7
153.99988	0.5
171.00659	1.7
196.64908	0.4
227.03252	4.9
245.04189	1.0
255.23289	100.0
256.23645	6.1
391.22601	1.0
409.23840	0.7
483.27271	52.1
484.27701	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	485.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36105	3.5
53.07143	3.4
54.38182	3.7
57.03447	8.9
59.01372	58.4
60.99305	5.2
61.98816	9.6
69.03444	3.8
69.38206	28.1
71.01382	24.9
72.99294	3.2
73.02946	13.1
85.02920	6.8
86.87486	3.3
88.98808	47.6
89.02433	7.6
99.04514	11.7
101.02454	12.2
113.02401	8.8
115.00375	9.9
119.03530	5.2
119.68792	3.3
125.02458	5.3
128.83174	3.4
135.04523	8.9
143.03566	4.2
161.02428	6.8
161.04552	4.0
161.09682	4.1
173.63507	3.4
174.03143	3.7
174.04758	3.4
175.07561	3.2
177.01901	4.6
179.03511	6.0
179.10768	14.6
183.21162	3.7
189.56000	4.2
191.05589	9.1
219.06590	7.4
219.10374	4.7
221.06023	6.7
237.05537	15.2
237.20329	3.8
251.03477	4.9
252.04218	8.9
265.04968	20.8
266.05692	4.9
293.04501	100.0
294.04819	4.5
325.06940	18.2
337.03439	40.8
338.04135	3.9
369.06122	64.8
370.06250	4.6
441.13797	13.5
448.06726	4.5
467.15588	5.1
467.50638	4.0
485.10703	5.7
485.16953	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	483.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59565	0.3
56.70748	0.3
57.03447	0.6
58.00595	0.6
59.01379	6.1
61.98832	1.1
67.01899	0.4
69.03462	0.5
69.30489	2.8
71.01379	2.4
72.99298	0.4
73.02608	0.3
73.02946	1.9
83.01356	0.4
83.05014	0.7
85.02943	1.9
87.00870	0.3
87.04513	5.5
91.77794	0.3
93.03457	8.2
94.03806	0.5
97.02950	1.5
97.06576	0.6
99.04523	0.7
101.02435	2.3
108.85309	0.3
109.02960	0.4
109.06557	0.5
113.02451	0.9
115.04010	0.3
119.18168	0.3
121.02950	10.6
122.03255	0.4
125.02487	0.5
125.06042	0.4
135.08099	0.8
137.02429	0.4
137.06075	0.4
137.09726	3.9
139.04008	100.0
139.11360	0.4
140.04332	3.5
141.04465	0.4
151.11290	0.7
155.10776	20.5
156.11134	0.8
165.01933	1.3
167.10817	0.5
169.12296	1.0
175.11375	0.4
179.10768	2.4
181.08733	1.8
191.10672	1.6
193.12410	0.5
195.10283	1.7
197.11807	0.5
199.09737	22.9
200.10117	1.6
212.94092	0.3
213.11302	0.5
223.09692	0.5
225.03503	0.3
225.11151	0.3
235.13440	0.4
237.11595	0.5
241.10788	5.5
253.10724	2.2
255.12375	1.9
279.12619	0.4
283.11832	12.3
284.12109	0.7
325.12848	0.7
343.13898	6.8
343.17767	0.6
483.18628	18.2
484.19080	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	483.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13686	0.9
57.03444	1.2
58.00596	1.6
59.01382	21.1
61.98826	5.2
67.01894	1.1
69.03436	1.0
71.01379	4.8
73.02953	3.7
81.03484	0.8
83.01424	1.0
83.28804	0.8
85.02948	3.4
87.00883	2.0
87.04527	11.9
89.02448	1.3
93.03464	22.1
94.03777	1.1
97.02941	2.3
97.06591	0.9
99.04528	1.6
101.02446	3.4
109.02961	3.6
113.02449	2.0
115.97476	0.8
116.92857	1.4
121.02962	100.0
122.03303	2.7
123.08178	1.0
125.02443	1.3
125.06099	0.9
135.08081	1.3
137.09756	9.0
139.04018	67.3
139.07648	1.6
140.04391	2.0
147.04501	0.9
151.11214	1.1
155.10786	42.5
156.11133	1.7
163.11313	1.5
164.07166	1.7
167.10712	1.1
169.12338	2.1
173.04654	1.3
179.10767	5.6
181.08682	3.8
185.00833	0.8
189.12769	1.0
191.10712	2.5
193.12358	1.8
195.10263	2.8
199.09752	41.0
200.10124	2.9
213.11322	1.9
219.13901	3.3
223.09790	1.6
241.10832	13.0
253.10771	4.7
255.12364	2.4
261.11325	1.2
283.11887	22.0
284.12198	1.2
295.11938	1.1
343.13983	22.8
344.14249	1.5
376.18704	1.8
420.21231	2.3
453.17810	1.3
465.17685	25.3
466.18060	2.5
483.18341	7.5
484.18274	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	483.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	14.6
57.45597	2.7
59.01377	26.6
69.17646	8.8
69.18067	18.6
71.01385	9.4
71.13165	2.3
73.02965	3.1
89.02442	5.8
99.04510	5.1
101.02431	8.1
117.17667	2.5
119.03359	2.6
133.02931	3.2
135.84157	2.8
158.56859	2.6
161.04515	5.3
174.03177	3.7
175.03996	8.3
176.01134	9.1
176.05914	3.0
177.01921	100.0
177.06686	3.3
187.03925	8.6
191.08238	9.0
198.03162	2.8
199.04022	3.0
201.05640	4.0
203.08310	3.2
205.06175	14.2
215.07112	6.5
219.07787	16.3
242.05763	9.8
243.06561	26.5
251.83411	2.8
261.07761	3.5
312.59061	3.5
321.10706	10.0
339.07224	27.7
339.11945	29.3
381.08075	8.1
381.13022	13.3
405.11868	2.7
408.04828	2.9
421.16183	3.8
423.12970	77.7
423.18121	2.7
424.13351	9.5
450.88464	2.6
483.11197	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1872
Annotation	Sachalinoside A
Peak:m/z	Relative Intensity
55.01888	1.6
57.03439	1.4
58.00582	1.1
59.01378	100.0
60.01690	0.9
61.98848	1.1
69.03468	1.3
71.01381	38.8
71.50368	0.7
72.01739	0.7
72.99319	1.6
73.02946	52.4
75.00841	1.1
79.30127	0.5
81.03452	0.8
83.01386	14.3
83.05020	0.7
85.02953	6.3
87.00867	2.0
89.02441	14.5
95.01399	1.5
97.02952	1.2
99.00889	1.4
99.04512	0.7
101.02439	39.6
102.02806	0.7
107.05020	1.3
108.02191	0.6
109.02944	9.4
109.06606	1.2
111.04547	1.4
113.02445	15.1
114.02810	0.8
119.03500	5.8
121.06600	0.8
122.03760	1.7
123.04509	1.7
124.05299	2.1
125.02444	1.8
125.06100	0.7
128.03557	1.1
131.03540	2.9
131.04343	0.5
133.06586	12.7
133.07542	0.9
135.04518	0.8
135.08150	0.7
136.05302	0.6
137.06081	4.0
139.07652	14.0
143.03496	3.2
145.05095	0.8
149.04593	2.6
149.05981	3.4
150.06873	0.9
151.07658	1.3
155.03479	0.5
159.04494	0.5
161.02457	1.2
161.04550	7.6
163.07661	0.9
167.03560	0.5
169.08730	1.7
174.03267	0.5
178.23242	0.5
179.03412	0.6
179.05577	1.2
187.11243	1.2
193.08665	0.8
199.11308	0.7
199.48793	0.5
202.10031	1.4
203.05553	1.3
204.11499	1.2
205.12329	5.0
217.12280	4.1
231.73924	0.5
235.13313	2.4
236.40616	0.5
257.57413	0.5
261.11298	2.1
261.14871	0.8
289.07132	1.4
313.12897	8.9
331.13959	10.4
372.14230	27.1
373.14926	5.8
379.17654	1.5
397.18521	2.5
398.18973	0.6
404.13574	0.8
439.19772	4.1
441.17377	1.2
452.17999	1.3
464.59897	0.5
483.18683	54.8
484.19019	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	481.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75342	0.4
55.01866	1.2
57.03444	1.6
58.00594	1.4
59.01379	100.0
60.01718	1.2
60.44915	0.5
61.98836	6.5
69.03456	1.6
69.27831	3.8
71.01382	42.4
72.99307	2.1
73.02945	39.5
74.03288	0.8
75.00867	1.1
81.03449	0.9
83.01383	12.6
85.02953	7.8
87.00874	2.7
87.04488	0.5
89.02446	17.0
93.03443	0.5
95.01414	2.3
97.02982	1.2
99.00897	1.9
99.04541	0.8
101.02438	40.8
102.02778	0.7
109.02941	0.6
113.02451	12.8
113.61765	0.5
119.03521	6.4
119.04958	0.5
125.02451	2.1
125.04013	0.5
131.03531	2.9
133.01434	0.5
133.02977	1.0
135.04533	0.5
136.01660	0.9
137.02441	47.6
137.09677	0.5
138.02762	1.3
143.03474	3.0
144.05026	0.5
149.04544	2.1
155.03493	1.8
155.10785	0.5
161.02460	17.6
161.04507	6.1
179.05597	1.7
199.07651	2.3
199.09586	0.8
203.05597	0.6
227.07124	1.3
259.09732	1.3
275.07651	0.5
301.03329	0.7
309.87939	0.5
322.08270	0.5
421.14951	0.9
439.16083	2.9
449.14465	0.7
481.17105	42.7
482.17535	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	481.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80639	1.0
56.03023	1.1
68.77844	0.9
69.83955	3.1
69.84373	2.0
78.95906	55.9
80.38493	0.9
96.96953	4.5
98.20536	1.5
127.43622	1.0
129.02200	1.0
152.99590	82.2
171.00645	16.7
210.52791	1.0
227.03311	5.7
245.04305	100.0
246.04662	2.6
253.21721	64.0
254.22079	3.9
376.61850	1.2
481.25720	67.2
482.26001	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	481.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
70.81750	1.5
70.82067	1.6
78.95907	65.4
93.11102	1.0
96.96965	4.6
110.79340	1.1
129.05515	1.0
134.98582	1.1
137.21495	1.2
150.95262	0.9
150.97954	1.1
152.74748	1.1
152.99586	99.8
170.87189	1.1
171.00639	14.8
227.03236	9.4
245.04309	75.9
246.04655	2.0
253.21730	55.9
254.22110	4.0
336.47025	1.1
365.27374	1.1
481.25726	100.0
482.26019	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1145
Annotation	Esculetin 6-O-brta-D-[6'(3-hydroxy-3-methylglutaryl)]glucoside
Peak:m/z	Relative Intensity
57.03452	5.0
59.01382	5.2
61.27685	0.4
61.98844	0.5
62.17085	0.3
66.28588	0.4
69.70095	1.8
71.01382	1.2
73.02965	0.7
75.00837	0.4
78.32974	0.3
84.37638	0.4
85.02949	0.4
89.02458	0.5
93.03465	0.5
96.95973	0.6
98.19844	0.4
99.04516	2.4
101.02449	1.9
105.03474	0.9
108.02171	0.6
109.02960	0.4
113.02514	0.5
121.02955	1.5
123.04553	0.9
125.02404	0.9
132.02179	0.5
133.02960	2.9
135.04530	0.5
143.34152	0.4
147.04475	0.7
148.01628	0.6
149.02448	1.5
159.04529	0.4
161.04552	1.6
171.86768	0.4
174.03250	0.5
175.04015	1.7
176.01160	7.0
176.05911	0.4
177.01936	100.0
178.02269	3.9
187.04036	0.5
187.15892	0.4
191.08278	0.7
201.05597	0.6
204.36305	0.3
205.06238	1.0
213.05640	0.6
215.07248	0.9
219.07770	1.8
242.05739	0.6
243.06551	3.0
249.50645	0.4
285.04044	0.5
297.03763	0.6
298.04807	0.6
299.05563	1.0
321.06546	0.4
327.05173	5.7
339.07239	27.0
339.11841	2.3
340.07535	1.6
357.06165	1.5
361.93597	0.4
381.08322	11.6
381.12845	0.9
382.08752	0.6
421.11411	1.7
423.13043	6.3
424.13370	0.6
438.81683	0.4
447.09402	4.4
448.09573	0.5
483.11307	5.8
483.17041	0.4
484.11664	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.156
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	72.4
59.01378	100.0
61.98822	2.3
71.01390	10.3
71.16448	3.5
75.39605	1.6
81.03451	3.2
85.02972	3.2
87.11333	1.6
88.53548	1.6
89.02432	7.4
91.11620	1.8
96.96043	2.6
99.04519	80.0
101.02441	19.9
113.02418	2.3
115.00334	1.8
119.03503	1.9
119.59615	1.5
125.02444	33.8
133.06607	2.5
135.04550	1.9
136.01622	1.9
143.03346	1.9
151.03984	5.1
161.04529	2.3
191.05573	2.6
221.10089	2.2
237.05527	3.6
251.11253	6.3
252.08060	3.6
253.05159	3.5
283.09671	5.9
293.12390	8.9
417.24539	1.8
481.19382	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	481.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30215	0.9
59.01383	100.0
60.01702	1.3
61.98821	1.8
65.83630	0.9
71.01383	10.5
73.02951	1.7
73.05664	0.9
77.41546	0.8
83.01408	0.9
85.02943	5.0
89.02450	3.1
101.02452	3.5
101.05260	0.9
109.02932	1.2
113.02471	8.8
119.03543	1.9
151.07655	1.0
154.06572	0.9
161.04588	1.2
181.84276	0.9
199.07645	18.3
200.08070	1.3
211.03992	11.6
212.04678	3.9
227.07155	39.7
228.07460	1.9
259.09753	50.7
260.10098	3.0
286.01816	1.1
301.10931	1.3
426.17105	1.1
481.07928	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49771	0.4
51.68387	0.4
59.01377	100.0
60.01700	0.8
61.98815	0.9
69.26740	1.1
69.27149	3.2
70.72321	0.4
71.01395	2.4
85.02946	0.9
89.02441	0.6
91.31290	0.5
98.19936	0.8
101.02457	1.1
113.02432	2.3
121.02933	0.6
132.05800	0.9
161.04572	0.9
164.04778	0.6
169.06633	0.8
170.07376	0.8
172.05276	0.5
178.33018	0.4
185.09686	2.5
187.11298	1.1
189.09227	0.5
199.07660	1.0
200.08415	0.8
215.10779	1.3
238.89392	0.5
250.68512	0.4
259.09726	33.3
260.10168	1.5
301.10809	0.5
408.14359	0.4
449.15274	0.6
463.74295	0.5
477.43057	0.4
481.14914	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.9
57.03437	1.4
58.00594	1.8
59.01377	100.0
60.01719	0.6
61.98833	5.0
68.23391	0.8
69.03456	1.7
69.32526	4.2
69.32929	1.3
71.01379	42.0
72.01695	1.1
72.99349	1.3
73.02942	43.8
75.00863	1.2
81.03457	1.6
83.01380	14.1
85.02942	9.0
87.00886	2.3
89.02441	15.8
95.01376	2.3
97.02868	0.7
98.19916	1.5
99.00883	1.8
99.04523	1.2
101.02438	40.4
102.02778	0.7
108.02177	1.0
113.02448	14.0
119.03500	7.8
125.02435	1.2
131.03511	2.5
132.02180	0.8
133.02979	0.8
134.03760	1.0
136.01701	1.1
137.02437	76.9
138.02780	2.2
143.03517	3.5
145.02859	0.6
149.04526	2.0
151.45494	0.7
155.03484	0.8
155.10765	1.4
161.02437	17.0
161.04475	7.5
162.02719	1.0
179.05609	1.9
191.05533	0.7
199.07704	1.6
199.09691	1.6
203.05682	0.8
227.07196	1.6
277.10574	0.8
343.14020	0.8
391.61417	0.7
421.14886	1.2
439.16016	2.6
449.14621	0.9
481.17096	42.7
482.17694	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	480.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13140	0.1
58.00609	0.1
58.09923	0.1
62.96426	0.1
71.07173	0.1
78.95899	20.9
96.96938	0.3
104.97502	0.1
106.10273	0.1
121.92020	0.1
122.98550	0.2
134.98529	0.1
152.99582	2.6
153.00832	0.1
153.99927	0.1
168.04297	2.9
169.99789	0.1
171.00589	0.1
194.05870	0.1
224.06915	9.0
225.07315	0.3
237.22250	0.2
242.07962	1.8
245.04305	0.2
253.21837	0.3
255.23270	100.0
256.23611	7.3
291.17557	0.1
368.92816	0.1
455.91571	0.1
480.30890	20.8
481.25497	0.1
481.31219	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	481.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77258	0.7
65.01808	0.7
71.01388	6.7
86.01123	0.7
94.49735	0.7
115.00367	7.7
119.05047	1.0
123.04543	0.9
129.03465	2.2
130.04253	1.8
133.01440	5.8
133.02933	2.6
135.04488	0.9
145.02954	1.6
146.03731	5.3
147.04517	23.6
159.04482	3.6
161.02441	42.3
162.02704	1.4
173.02452	2.0
173.06090	1.3
174.03189	13.3
175.03906	1.2
201.30359	0.7
206.02173	7.0
211.41783	0.7
217.00903	0.7
224.47241	0.8
250.06293	3.1
251.06926	0.8
265.08713	0.8
275.07150	1.4
277.05045	1.0
289.04987	1.1
303.06607	9.6
304.06888	0.8
305.65482	0.7
306.05334	11.7
319.06097	2.2
321.07651	100.0
322.07990	8.3
347.05649	1.4
365.06491	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	481.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.3
61.98827	1.2
69.50562	1.0
69.50964	2.8
71.01382	5.7
75.00870	1.2
77.66861	0.5
85.02940	0.5
109.02955	1.0
115.00379	5.6
119.05067	0.7
119.10305	0.6
123.04456	0.6
129.03485	1.7
130.04225	2.0
133.01422	4.0
133.02948	2.4
135.04541	1.4
145.02937	1.6
146.03725	5.5
147.04526	22.6
148.04781	0.9
159.04489	3.4
161.02435	40.9
162.02777	1.5
173.02428	1.3
173.06007	0.7
174.01773	1.0
174.03200	10.5
175.03844	1.0
199.03903	0.6
206.02191	6.2
217.30557	0.5
227.03571	0.6
233.06158	0.8
250.06355	2.5
251.07059	0.9
255.03014	1.0
256.03876	0.6
275.07141	1.5
277.05035	1.2
278.05771	1.2
288.04153	0.7
289.05164	1.1
291.06577	1.0
302.05408	0.7
303.06577	9.5
304.06915	1.0
305.04465	1.0
306.05313	8.5
319.06082	1.8
321.07645	100.0
322.08008	8.5
347.05444	1.1
349.12866	0.5
353.98346	0.5
365.06644	1.4
407.07706	4.2
416.12576	0.6
480.32492	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	479.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.2
59.01157	1.0
59.01380	10.9
61.98832	5.3
71.01383	32.0
71.51096	1.0
73.02932	1.5
75.00865	4.0
77.03962	1.8
89.02487	1.0
89.03965	4.4
93.03470	1.2
95.05019	3.4
99.04523	1.3
101.02454	2.2
105.03465	8.3
112.69629	1.2
113.02452	1.7
115.00372	11.1
117.03456	8.9
119.03484	1.1
123.04585	1.1
133.02953	53.0
134.03290	2.1
135.04518	1.2
161.02428	3.0
177.01926	13.1
179.03442	1.4
189.82379	1.2
201.01939	5.1
219.08125	3.3
219.74620	1.2
221.06009	2.3
227.01628	1.1
245.06094	3.0
247.07610	27.6
248.07950	2.6
249.05464	2.4
272.04782	1.7
272.63733	1.0
273.05649	4.6
274.06378	3.2
275.07065	3.2
277.05023	2.9
287.48941	1.2
291.06549	2.9
304.03732	1.3
319.06030	2.4
363.05081	100.0
364.05453	10.0
374.18607	1.6
444.54089	1.1
479.31879	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	480.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	75.5
59.37027	1.5
60.01716	4.0
61.98831	100.0
70.51619	3.4
71.01377	18.5
72.99303	7.4
73.02950	8.8
75.00869	65.8
76.01204	2.9
83.01387	2.5
85.02930	5.1
85.43623	1.7
89.02467	7.8
96.96007	3.2
99.00857	6.0
99.04513	2.0
101.02460	7.6
109.02930	3.1
113.02442	5.5
115.00375	5.9
119.03480	2.7
119.04971	1.6
131.03543	1.8
133.01434	9.3
133.02914	3.3
135.04535	4.8
146.03654	2.8
147.04555	10.6
159.04488	4.8
161.02434	24.5
161.04514	1.9
174.03178	5.9
177.01968	2.5
179.03366	1.9
185.00912	1.6
206.02150	2.3
231.06528	3.8
232.06909	4.6
235.29639	1.5
263.73950	1.8
303.06583	5.1
305.04678	2.0
306.05240	6.7
315.52673	1.8
321.07657	67.3
356.55493	1.8
369.06812	1.9
436.17059	3.8
479.32373	29.1
480.25458	5.2
480.32742	43.2
481.22430	3.4
481.29172	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.8
55.92278	0.5
57.03451	2.1
58.36371	0.6
59.01380	100.0
60.01725	1.3
61.98831	2.9
69.03465	0.7
71.01380	16.0
71.05032	0.8
71.50268	0.6
72.99308	1.6
73.02942	5.7
75.00871	12.3
83.01393	2.1
83.05040	2.2
85.02950	8.7
87.00902	1.1
87.04543	0.7
89.02452	8.9
95.01397	1.6
97.02946	1.0
99.00893	1.1
99.04524	1.0
101.02451	11.4
101.06053	0.9
109.02955	1.1
109.06599	0.7
113.02453	11.9
115.00449	0.6
119.03511	4.0
125.02453	0.9
134.06137	1.0
135.04536	2.0
136.07635	0.7
140.47025	0.7
143.03493	1.4
145.08679	2.9
151.00331	0.9
152.07185	1.2
153.02000	0.9
155.10774	4.8
159.03014	1.0
161.04541	5.3
179.03511	0.8
179.05579	1.1
180.06636	0.6
199.09802	3.1
215.03326	0.6
255.02974	0.8
271.02463	12.7
272.02878	1.5
273.20728	1.6
299.01956	21.9
300.02542	3.7
301.03271	0.8
314.04364	5.3
315.17908	0.6
417.24969	28.2
418.25317	2.6
435.26114	6.5
450.20609	0.9
477.10471	18.9
477.17938	1.4
477.23663	3.7
477.30759	12.4
478.10580	2.1
478.19873	6.5
478.30984	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	477.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	11.2
58.00582	2.8
59.01377	100.0
60.99307	7.5
61.98814	5.7
71.01379	31.6
72.01713	1.5
72.99303	3.9
73.02933	6.9
75.00864	4.1
78.01855	1.5
79.29498	1.7
81.72469	1.4
83.01371	3.6
83.05027	2.7
85.02942	7.7
87.00851	4.3
88.00393	2.3
88.98797	47.0
89.02441	28.0
93.03439	1.6
93.78445	1.4
95.01361	2.5
98.19957	3.8
99.04498	8.5
101.02444	16.7
105.87500	1.4
109.02939	4.8
113.02444	14.0
115.00355	17.2
119.03473	5.2
125.02440	4.0
128.03516	2.5
133.01421	21.2
134.01767	3.4
134.03749	2.8
135.01881	1.9
135.04515	36.6
136.04829	9.8
137.02458	1.8
137.05051	4.5
149.62886	1.4
155.10748	2.0
161.04530	6.0
179.03500	22.5
179.05110	2.6
179.05611	2.4
180.03835	9.8
181.03934	4.8
185.11841	1.5
187.03934	1.7
191.05576	4.1
198.06763	2.1
199.09703	3.3
205.01378	1.6
213.09189	7.6
213.11284	3.7
213.14948	23.1
223.13332	6.5
229.12254	3.1
229.42345	1.8
241.14438	76.4
242.14783	3.9
253.09203	9.0
254.75121	1.7
273.11331	7.3
315.08545	1.6
315.24432	1.6
317.10065	9.4
348.16107	1.8
359.07559	2.1
360.07733	2.0
361.08646	9.9
417.20694	2.6
417.25473	2.8
435.21774	3.0
477.23392	30.3
478.23972	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	477.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37873	0.6
55.01872	2.4
57.03439	3.4
59.01376	94.4
60.01733	1.4
61.98825	4.0
66.05929	0.8
71.01378	22.5
71.50546	0.9
72.99322	0.8
73.02946	10.0
75.00875	1.3
77.30401	0.7
83.01370	5.1
85.02945	69.6
86.00111	1.0
86.03288	1.5
87.00893	2.3
89.02444	4.6
95.01389	1.5
97.02975	1.2
99.00879	2.9
99.04517	1.3
101.02428	18.0
109.02916	1.5
111.00877	1.3
113.02441	9.8
114.05707	0.8
115.00340	1.1
119.03492	2.3
125.02401	1.3
129.01968	1.0
133.01428	1.0
135.04543	2.2
153.01927	1.3
155.10785	3.1
159.03062	1.3
159.04408	0.8
161.04539	3.5
187.13428	1.9
199.09720	1.3
211.17043	2.6
227.11975	0.7
273.20764	2.4
331.17590	3.5
349.18616	4.8
373.22397	3.4
384.53363	0.7
391.19107	0.9
391.23410	3.0
417.20728	2.7
417.25739	6.5
435.21381	4.2
459.22278	5.6
477.23373	100.0
478.17340	0.8
478.23764	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	477.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83245	1.4
55.96315	1.5
57.03448	100.0
57.20840	1.4
58.03802	1.6
59.01378	87.8
69.40079	9.4
71.01385	11.1
71.01717	1.7
73.02944	8.5
74.02463	1.8
75.00887	2.4
81.03448	3.2
83.01395	3.3
85.02946	6.2
89.02434	6.2
98.19935	3.8
99.04515	73.5
100.04816	2.2
101.02443	19.8
112.75410	1.6
113.02470	3.1
115.00344	1.6
119.03462	1.7
125.02445	26.8
135.04480	4.6
143.03447	2.3
149.05980	2.2
150.23593	1.7
161.04564	1.7
166.83511	1.6
169.36066	1.7
197.41667	1.5
435.22394	2.8
477.23196	9.9
488.65857	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	477.1644
Annotation	nonacene
Peak:m/z	Relative Intensity
57.03426	4.8
59.01380	46.4
60.89613	1.2
61.98815	4.8
71.01392	11.9
72.99297	2.9
73.02931	3.5
85.02930	4.0
87.00838	1.7
88.98812	5.8
89.02453	5.9
93.03459	1.7
99.00878	1.6
99.04520	6.5
101.02426	5.4
113.02443	2.9
115.00357	6.4
119.03522	1.3
122.49300	1.2
123.04524	1.7
125.02409	1.6
133.01460	8.0
134.01715	1.8
135.01866	1.7
135.04532	9.6
136.04857	2.8
137.04921	1.3
161.04517	2.7
172.08754	3.5
179.03450	3.2
191.05630	3.8
198.06725	7.5
200.11902	1.7
213.14890	2.3
214.09851	3.3
239.09401	2.0
241.01173	1.2
241.04816	1.9
241.07300	41.7
241.14400	5.1
242.08076	47.7
243.08833	34.4
244.09235	1.6
257.10352	5.4
311.11423	7.7
317.09735	2.7
359.13589	4.4
361.08902	2.4
377.14621	100.0
378.15039	8.7
466.58987	1.5
477.16187	59.3
477.23053	4.5
478.16739	9.8
478.22815	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	11.2
58.00582	2.8
59.01377	100.0
60.99307	7.5
61.98814	5.7
71.01379	31.6
72.01713	1.5
72.99303	3.9
73.02933	6.9
75.00864	4.1
78.01855	1.5
79.29498	1.7
81.72469	1.4
83.01371	3.6
83.05027	2.7
85.02942	7.7
87.00851	4.3
88.00393	2.3
88.98797	47.0
89.02441	28.0
93.03439	1.6
93.78445	1.4
95.01361	2.5
98.19957	3.8
99.04498	8.5
101.02444	16.7
105.87500	1.4
109.02939	4.8
113.02444	14.0
115.00355	17.2
119.03473	5.2
125.02440	4.0
128.03516	2.5
133.01421	21.2
134.01767	3.4
134.03749	2.8
135.01881	1.9
135.04515	36.6
136.04829	9.8
137.02458	1.8
137.05051	4.5
149.62886	1.4
155.10748	2.0
161.04530	6.0
179.03500	22.5
179.05110	2.6
179.05611	2.4
180.03835	9.8
181.03934	4.8
185.11841	1.5
187.03934	1.7
191.05576	4.1
198.06763	2.1
199.09703	3.3
205.01378	1.6
213.09189	7.6
213.11284	3.7
213.14948	23.1
223.13332	6.5
229.12254	3.1
229.42345	1.8
241.14438	76.4
242.14783	3.9
253.09203	9.0
254.75121	1.7
273.11331	7.3
315.08545	1.6
315.24432	1.6
317.10065	9.4
348.16107	1.8
359.07559	2.1
360.07733	2.0
361.08646	9.9
417.20694	2.6
417.25473	2.8
435.21774	3.0
477.23392	30.3
478.23972	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	477.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.3
59.01377	19.0
61.98825	2.6
62.94558	0.4
63.47449	0.4
65.03965	5.0
67.01889	2.0
69.03456	0.5
69.31358	0.4
71.01376	3.6
71.40257	0.4
71.46027	0.9
72.99283	0.8
73.02950	1.4
75.00870	4.4
83.01415	0.4
85.02946	1.7
87.00893	0.5
87.04531	0.5
87.67616	0.5
88.98745	0.4
89.02452	0.9
91.01897	11.8
92.02272	0.5
92.10246	0.4
99.04514	0.6
101.02451	2.5
109.02946	63.7
110.03281	1.8
110.04597	0.4
113.02460	1.8
119.03534	0.7
121.02934	0.5
123.04571	0.5
124.01730	0.4
125.02439	0.6
133.02945	0.5
135.00880	33.9
135.04456	0.6
136.01257	1.3
137.02458	0.9
153.01929	100.0
154.02286	3.1
161.02434	0.4
161.04568	0.7
173.04581	0.4
177.01941	0.8
203.03470	0.4
219.51347	0.4
236.82372	0.4
278.81360	0.5
279.05182	1.3
281.97861	0.4
295.02441	0.8
297.06146	0.6
315.04977	0.5
339.07169	28.0
340.07568	1.8
354.18713	0.4
357.08261	15.5
358.08716	1.7
417.24890	3.7
435.26028	1.4
453.85782	0.5
477.23776	1.3
477.30457	4.4
478.24188	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56684	0.6
59.01383	3.6
68.93176	0.6
69.84927	1.3
69.85339	2.5
71.01376	6.4
85.02968	1.0
93.03477	1.5
94.65792	0.7
97.87619	0.6
100.37958	0.6
107.05021	1.3
108.02191	1.3
109.02947	18.0
115.00358	6.0
119.05012	1.6
121.02946	2.2
122.03724	2.3
123.04520	11.2
123.08175	0.9
129.62291	0.7
133.01416	2.1
133.06564	1.1
134.03745	1.4
135.04520	72.0
136.04834	3.1
137.02390	0.9
137.06090	5.3
139.03993	1.0
149.02434	2.1
149.06049	1.9
150.03223	0.8
151.07660	4.8
154.02780	0.9
161.02449	1.1
161.06058	0.9
163.04002	2.0
163.07632	1.6
171.08804	0.7
179.03484	23.7
181.05029	3.5
187.07629	2.6
187.64749	0.7
237.09177	1.2
245.11932	0.7
255.10303	4.6
257.08249	1.2
271.45135	0.8
273.11292	11.3
299.09378	4.0
317.10266	4.1
343.08301	2.1
361.09262	100.0
362.09531	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	477.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.9
59.01381	23.5
61.98821	3.3
69.13945	3.9
69.14355	0.9
71.01072	0.4
71.01383	5.6
72.99303	1.3
73.02962	2.3
75.00869	4.8
83.01388	1.2
85.02966	3.5
87.00884	1.1
89.02434	2.1
99.04530	1.0
101.02443	4.0
107.01365	0.5
109.02967	0.7
110.51830	0.5
113.02476	2.4
115.00373	1.1
125.02454	0.9
133.02893	0.6
135.04535	0.7
141.43663	0.5
147.04474	0.6
148.99742	0.5
151.00375	2.0
155.10771	2.0
157.47327	0.5
161.04559	1.4
171.04469	0.6
175.02417	1.2
175.03900	0.5
187.03995	0.6
199.03993	2.1
199.09758	1.7
201.01910	0.9
203.03482	0.7
203.79616	0.5
215.03404	1.3
227.03543	2.8
243.02963	4.0
252.35307	0.4
255.02931	0.8
271.02475	50.5
272.02734	3.6
285.04111	0.8
299.01956	100.0
300.02505	11.3
301.12790	0.5
314.04306	18.0
315.04993	3.7
333.15552	0.7
339.24368	0.5
357.06223	0.8
417.25064	3.5
424.53815	0.5
433.20682	0.9
435.26114	1.4
462.08026	0.7
477.10358	88.1
477.23917	2.2
477.30396	3.1
478.10675	9.1
478.18716	0.6
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
54.42240	0.3
59.01369	0.6
63.52533	0.3
71.43692	0.3
78.95911	28.9
84.84673	0.3
92.24556	0.3
96.96979	2.1
113.02378	0.3
122.00072	0.3
131.67984	0.3
140.01192	2.2
152.99594	4.5
171.00635	4.4
186.63010	0.3
189.93163	0.4
196.03809	1.4
214.04858	2.9
227.20152	0.6
232.19528	0.3
233.65236	0.3
279.23297	100.0
280.23621	9.0
318.44489	0.4
380.91315	0.3
402.24561	0.4
476.27835	20.0
477.27853	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	477.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83860	0.4
57.03441	2.3
59.01377	30.1
61.98822	3.2
69.35793	3.3
71.01372	6.0
72.99294	1.0
73.02937	3.1
75.00864	5.7
83.01372	1.2
84.52410	0.4
85.02948	2.9
87.00857	1.4
89.02434	1.8
93.03441	0.5
99.04511	2.0
99.32650	0.4
101.02435	3.4
102.84357	0.4
107.01405	0.7
108.67688	0.5
109.02977	0.4
113.02430	2.9
115.00387	1.0
119.03460	0.8
122.06065	0.5
125.02466	0.7
135.04529	1.1
137.09683	0.5
145.08775	0.5
151.00354	1.9
155.10837	2.5
161.02448	0.5
161.04491	1.3
171.04591	0.5
175.02432	1.4
175.03864	0.6
181.12201	0.4
197.04295	0.5
199.03986	3.7
199.09694	1.8
201.01891	0.9
215.03447	1.1
227.03464	2.3
242.02258	0.7
243.02982	4.5
243.09937	0.5
249.56432	0.4
255.02893	0.7
271.02451	54.0
272.02768	4.5
285.03922	1.3
299.01929	100.0
300.02512	12.5
301.13181	0.7
314.04272	19.2
315.04935	4.3
333.15329	0.8
333.33890	0.5
334.36688	0.5
342.03796	0.6
357.06094	0.8
417.25064	4.3
433.20758	0.7
435.26166	1.0
463.75085	0.5
477.10336	90.0
477.23831	2.5
477.30173	4.9
478.10648	10.2
478.20151	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78381	35.8
59.01381	93.4
61.88272	34.8
61.98821	52.0
62.36737	43.2
64.25089	39.9
78.95901	88.7
82.53355	35.2
98.19772	68.0
135.04517	100.0
152.74742	42.1
179.03529	47.5
277.21811	56.5
279.23190	42.8
359.07159	41.3
475.30417	83.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64081	0.3
65.59447	0.3
71.26679	0.7
71.27023	0.4
77.81294	0.3
77.86700	0.3
78.95899	100.0
90.08463	0.4
96.96955	8.2
96.97594	0.4
133.40208	0.4
133.45476	0.3
140.01170	0.4
152.99579	17.7
171.00627	16.9
190.37862	0.4
214.04781	0.3
216.22188	0.4
279.23337	0.7
330.38748	0.4
402.24100	1.2
405.40475	0.4
443.49261	0.4
476.27786	53.3
477.28162	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	476.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.8
62.96404	0.3
70.16683	1.1
70.17099	0.7
78.95901	45.9
93.42027	0.3
96.96964	2.0
122.00132	1.1
140.01180	6.0
152.99574	5.3
171.00624	5.2
196.03783	11.9
214.04875	2.8
261.22195	0.4
279.23267	100.0
280.23624	8.6
402.24384	0.7
476.27795	37.9
477.28088	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	475.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19857	0.7
57.03445	3.9
59.01374	74.6
60.01708	5.6
61.01799	4.3
69.03425	0.9
69.33060	3.5
69.33488	3.2
71.01017	1.0
71.01382	15.3
72.99294	5.4
73.02941	5.6
75.00855	13.0
75.51315	0.8
75.75623	0.7
83.01375	1.4
85.02938	15.2
85.94987	0.8
86.28037	0.7
87.00875	6.7
89.02444	4.5
95.01379	4.1
99.00877	9.3
101.02407	2.8
103.00346	1.7
109.02905	0.9
111.00871	1.0
113.02451	13.5
115.00344	2.6
117.01920	2.1
119.03471	0.9
127.17400	0.7
135.73985	0.7
150.71399	0.8
157.01384	1.7
161.04565	1.3
163.11272	2.2
175.02490	2.2
179.10699	2.3
181.12329	34.1
182.12592	2.0
225.11287	7.6
238.44131	0.8
242.45830	0.9
249.06145	7.4
250.06476	1.0
251.06702	1.1
267.07104	1.8
299.14990	5.5
413.18109	7.5
415.23215	1.9
431.18164	2.3
433.23987	1.2
457.17035	3.3
458.17953	1.0
475.18103	100.0
476.18378	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	475.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	55.1
61.70755	16.1
61.98829	17.7
69.31853	100.0
69.32279	54.0
78.95913	42.2
91.37001	16.2
125.07101	15.5
135.04512	23.2
166.44374	16.3
166.56601	18.6
279.23285	28.9
470.89938	17.0
474.35968	50.5
475.29898	21.4
475.36279	80.2
476.27484	19.8
488.91156	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	475.182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.9
57.03432	1.5
58.00573	0.7
58.54831	0.5
59.01379	17.2
63.02380	2.0
65.00320	3.6
67.01910	0.5
68.99808	0.7
69.03451	0.9
69.59375	0.4
70.80147	1.4
71.01013	0.9
71.01383	13.2
72.99310	4.7
73.02948	5.7
75.00468	0.9
75.00872	11.4
76.31966	0.5
78.96607	0.5
83.01376	3.1
85.02951	15.4
87.00872	5.4
89.02451	3.3
91.03966	0.7
93.03449	5.1
95.01393	4.1
95.05057	0.9
97.02935	0.7
99.00880	8.3
101.02426	1.2
103.00362	1.1
107.01395	7.9
109.02944	0.6
111.00879	0.9
113.02450	13.7
115.00365	2.8
117.01947	1.4
119.05025	20.7
120.05328	0.6
121.70331	0.5
125.02445	1.1
129.01894	1.5
132.36395	0.5
133.01424	0.5
135.04553	0.8
151.00363	24.6
152.00635	0.7
157.01376	1.8
163.11301	2.7
165.01941	0.8
166.43108	0.5
175.00340	0.7
175.02440	3.1
177.01906	4.0
181.12334	37.3
182.12671	2.3
225.11316	9.5
231.05086	1.8
249.06146	17.4
250.06464	0.9
271.06100	58.3
272.06470	4.2
299.14941	7.0
300.15445	0.6
313.07196	1.5
323.05588	1.5
413.18155	7.9
414.18454	0.6
415.15939	0.8
415.23300	0.9
431.18915	1.0
443.09906	1.0
450.20316	0.6
457.16974	3.4
475.18170	100.0
476.18530	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	475.182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	6.6
59.01379	100.0
60.87926	2.1
61.98812	6.2
70.36443	6.4
71.01389	15.2
73.02941	10.1
75.00869	4.1
83.45564	2.0
85.02933	5.5
89.02428	6.3
91.64784	1.7
99.00889	2.3
101.02428	14.1
103.58730	2.1
111.51141	2.0
113.02448	7.1
115.00346	4.9
116.48659	1.8
118.40099	1.8
119.05015	2.8
125.02396	2.5
133.01474	5.0
135.04536	9.4
143.72725	1.8
151.04007	2.7
161.04559	2.5
165.12842	19.4
179.03459	4.7
183.13907	43.0
184.14322	2.5
195.13898	15.8
207.13797	2.6
227.12857	63.2
251.12865	4.9
269.14233	3.5
271.09628	2.4
271.19299	2.4
283.02573	2.1
312.02628	2.1
315.08624	2.3
415.23264	4.8
468.41980	1.9
475.21509	3.5
475.26376	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	475.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35502	0.6
57.03436	2.2
59.01379	1.6
60.99302	1.9
70.35310	2.3
70.35735	0.5
71.01385	11.8
72.01760	0.7
72.99306	14.8
75.00881	1.0
87.00875	7.4
87.04509	2.1
89.02447	5.5
104.41346	0.6
109.02957	1.3
113.27762	0.6
115.00359	2.2
117.97555	0.5
122.39939	0.6
133.01436	14.2
133.05066	100.0
134.05424	2.3
135.04546	3.7
149.06042	0.7
179.03519	2.6
219.02065	0.6
271.09750	2.3
341.10995	1.3
359.07840	2.7
360.07913	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.7
57.03431	2.3
58.00613	0.6
59.01377	16.2
59.44967	0.6
63.02384	1.3
65.00325	2.7
67.01919	0.6
68.99796	1.2
69.03444	1.0
69.38910	1.4
69.39330	2.9
71.01373	14.0
72.99299	4.5
73.02940	4.0
75.00470	1.0
75.00864	13.0
83.01365	2.9
85.02457	1.1
85.02946	14.2
87.00873	5.7
89.02444	3.0
93.03458	4.4
95.01380	3.2
95.05016	1.1
99.00875	8.8
101.02396	0.9
103.00375	1.2
104.14223	0.6
107.01375	6.3
109.02933	0.7
111.00913	1.0
113.02445	13.8
115.00357	1.7
117.01913	1.9
119.05021	15.1
120.05315	1.0
129.01935	1.4
151.00359	20.1
157.01379	1.5
161.02338	0.7
163.11272	2.8
165.01952	0.9
175.02435	2.5
177.01875	1.9
181.12334	36.5
182.12672	2.2
193.01416	0.7
207.10239	0.7
225.11316	9.9
226.11746	1.0
231.05113	0.9
249.06134	16.3
250.06387	0.7
271.06094	49.0
272.06406	4.5
295.06128	0.6
299.14957	6.7
300.14954	0.6
313.07233	1.3
316.24512	0.5
323.05505	0.9
374.76563	0.6
382.83081	0.5
413.18195	6.2
415.23672	1.0
431.19220	0.9
457.17194	4.7
475.18143	100.0
476.18518	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	475.182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.9
57.03444	2.7
59.01379	46.8
61.98812	1.0
64.77474	0.8
68.99817	1.1
69.03441	1.7
70.51286	2.6
71.01374	17.6
72.99302	4.3
73.02949	7.0
75.00877	14.3
81.03484	0.9
83.01393	1.9
85.02946	15.8
87.00875	5.8
89.02451	5.2
93.03431	1.1
95.01393	4.6
95.05039	1.5
99.00883	8.2
99.04509	2.4
101.02448	3.4
103.00352	1.2
113.02447	13.8
115.00352	3.2
117.01924	2.6
125.02459	0.9
127.94437	0.8
129.01942	1.3
133.01436	1.4
135.04517	2.1
139.00240	0.9
156.84456	0.9
157.01396	1.1
161.04539	1.4
163.11250	4.0
170.00253	0.8
175.02473	1.5
179.03514	1.9
179.05515	0.9
181.12340	26.1
182.12686	1.4
207.10255	1.5
219.85684	0.9
225.11331	16.9
226.11613	1.0
231.05070	1.2
249.06131	17.9
257.81293	1.0
267.07184	1.2
299.15002	6.3
315.09018	0.8
413.17944	2.5
415.23380	2.4
457.17142	3.0
475.18179	100.0
476.18524	10.6
476.25610	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	475.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02018	0.7
59.01376	4.7
70.49258	2.1
70.49664	1.4
71.01377	13.2
72.01657	0.9
72.99297	1.9
77.27557	0.7
87.00884	0.9
89.02435	1.5
101.02465	0.8
107.05000	1.3
109.02950	6.4
115.00362	37.7
116.00768	1.1
117.03444	5.5
121.02968	5.5
123.04494	3.9
133.01422	62.3
134.03749	4.2
135.04512	100.0
136.04839	3.8
147.04529	1.8
149.06064	17.9
161.02478	4.1
161.06061	0.9
175.03958	1.6
179.03479	65.6
180.03755	2.5
193.05055	2.0
205.01427	3.3
211.07571	1.1
251.92412	0.8
269.87421	0.8
271.09714	15.7
297.07770	1.0
315.08710	34.7
316.09012	2.4
341.06595	2.0
359.07681	23.4
360.08026	2.1
475.08777	1.4
480.47424	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1253
Annotation	Naringenin 7-O-beta-D-glucoside 6''-acetate
Peak:m/z	Relative Intensity
52.14331	0.3
55.01877	0.4
57.03450	2.0
57.99308	0.4
59.01375	23.1
60.01706	0.6
61.98811	0.9
63.02405	2.6
65.00321	6.4
68.99827	0.9
69.03434	0.7
70.80774	0.8
70.81129	0.5
71.01376	11.5
72.99308	3.7
73.02943	4.9
75.00871	9.4
79.88712	0.4
83.01385	5.4
83.05008	0.5
85.02944	8.8
87.00862	3.6
89.02441	2.9
93.03453	8.4
95.01388	2.9
97.02934	0.6
99.00879	5.8
99.04536	0.4
101.02427	2.3
103.00320	0.9
107.01387	12.3
109.02949	0.7
111.00895	0.6
113.02454	9.6
115.00383	2.0
117.01929	1.0
117.03469	0.5
119.05021	38.1
120.05363	1.5
121.02977	0.5
125.02439	1.6
129.01942	1.1
131.01402	0.5
133.02881	0.5
135.04500	1.1
137.02496	0.4
143.03577	0.5
143.04959	0.4
145.02945	0.6
151.00360	40.2
152.00687	1.2
157.01399	1.6
161.02422	0.9
161.04550	0.9
163.11267	2.0
164.01166	0.6
165.00655	0.4
165.01868	1.8
165.75693	0.4
167.05031	0.4
169.01413	0.4
175.00349	1.4
175.02475	1.8
177.01921	7.0
178.02109	0.4
179.03497	0.8
181.01823	0.4
181.12331	23.8
182.12718	1.0
185.06094	0.5
187.04022	0.7
193.01443	0.8
205.01639	0.4
207.10233	0.9
207.17815	0.4
225.11328	5.4
226.11217	0.5
227.07152	0.5
231.05070	0.7
249.06128	10.3
267.07086	0.8
271.06094	100.0
272.06433	7.3
286.91229	0.4
295.06085	1.3
299.14905	4.2
313.07190	2.1
315.08646	0.4
323.05536	3.8
355.08084	0.8
413.18069	4.0
415.15921	0.4
415.23404	2.1
433.24133	0.6
443.09854	1.1
457.17108	2.8
475.12662	2.9
475.18155	62.1
475.29300	1.6
476.18570	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	475.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.0
66.55511	0.3
69.69952	1.9
71.01379	12.6
72.99312	1.0
89.02425	0.7
89.39460	0.3
92.14540	0.3
98.20567	0.6
105.07065	0.3
107.05049	0.5
108.02168	6.9
109.02949	19.5
110.03262	0.7
111.36741	0.4
111.37595	0.3
115.00370	23.0
117.03524	0.4
121.02949	2.8
122.03725	1.4
123.04523	2.7
128.09810	0.3
133.01427	17.9
133.02998	1.4
134.03761	2.4
135.04518	100.0
136.04875	4.1
137.02496	0.5
145.02890	0.7
146.03772	0.8
146.59833	0.4
147.04510	1.3
148.05318	1.2
149.06070	26.9
150.06407	1.0
159.04486	0.7
159.23941	0.4
161.02426	0.7
161.06065	10.9
162.06564	0.8
163.07642	0.5
175.04005	2.0
177.05605	0.6
179.03485	92.1
180.03827	4.2
193.04985	0.5
205.05096	1.7
213.05550	1.1
226.06371	0.5
241.05023	2.1
242.05836	17.0
243.06476	4.3
253.08727	0.7
253.24469	0.4
255.06615	4.6
269.08188	1.8
271.09726	38.6
272.10062	2.2
281.23288	0.4
297.07651	1.3
304.96512	0.3
309.26376	0.4
315.08716	9.6
316.09140	0.7
341.06528	0.7
356.20914	0.4
359.07684	33.2
360.08087	2.8
475.08707	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73919	0.7
59.01380	7.4
71.01383	14.7
71.26909	1.5
72.99313	2.2
87.00884	0.9
89.02444	2.5
101.02453	1.4
107.05035	1.4
109.02940	1.0
109.84740	0.8
115.00378	33.3
117.03477	9.2
122.40815	0.7
133.01439	63.6
133.03020	2.4
134.01788	0.9
134.03725	1.8
135.04530	100.0
136.03918	0.9
136.04794	3.8
161.02414	8.0
179.03506	52.5
180.03889	1.6
205.01405	6.4
241.87553	0.8
315.08752	42.1
316.08981	3.5
341.06732	3.1
359.07608	10.9
360.08121	1.0
453.78409	0.8
475.21918	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	475.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54296	0.7
56.66776	0.7
58.73692	0.7
59.01379	15.8
59.76674	0.7
61.98833	1.0
69.66324	3.6
71.01381	18.3
72.99296	3.2
73.02942	4.1
83.31056	0.8
85.02950	1.3
87.00885	1.5
89.02438	3.4
89.03945	1.4
98.20718	0.9
101.02451	3.7
107.05041	1.7
108.34167	0.8
109.02969	3.2
112.48696	0.7
113.02430	2.4
115.00371	39.5
117.03479	7.1
119.03484	1.0
133.01427	74.2
133.03021	2.1
134.03751	2.3
135.04517	100.0
136.04825	4.5
146.07925	0.8
147.04544	1.3
161.02406	4.1
161.04497	1.4
178.02684	1.1
179.03485	58.1
179.07005	1.8
180.03876	2.5
197.04579	2.5
205.01427	6.7
227.10741	0.8
276.35397	0.7
277.03439	1.8
295.10831	1.0
315.08722	44.8
316.09100	3.4
341.06497	3.0
359.07596	12.4
360.07968	1.2
402.77637	0.9
422.37500	1.0
475.08530	0.9
475.21686	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	475.088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38338	0.5
56.08196	0.6
57.47980	0.5
59.01377	19.2
69.32559	4.3
71.01384	16.6
72.99313	2.8
73.02947	2.2
83.01411	0.6
85.02947	1.7
87.00883	1.0
89.02450	3.1
89.03975	1.6
101.02442	3.6
107.05033	1.0
113.02442	1.7
115.00372	36.8
117.03465	10.0
119.05017	0.7
119.64060	0.6
133.01430	57.5
133.03011	2.3
134.01762	0.8
134.03728	2.6
135.04524	100.0
136.04846	3.9
136.68050	0.7
147.04390	0.7
149.02423	0.6
149.06013	1.1
161.02444	6.4
161.04584	2.0
179.03497	50.0
180.03793	2.6
205.01395	7.7
306.09607	0.6
313.07162	1.1
315.08734	47.7
316.09073	3.8
341.06601	3.9
359.07724	12.3
360.08188	0.7
415.09634	0.8
415.23434	1.9
475.21616	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38044	0.5
59.01378	100.0
60.01733	0.6
61.69944	0.5
61.80161	0.5
70.80437	0.5
71.01407	3.2
71.01746	0.5
71.20959	1.2
72.99319	1.1
73.02958	1.0
75.00884	2.0
85.02938	2.9
87.00881	0.7
89.02502	0.7
95.01381	0.7
99.00883	1.8
101.02450	1.6
111.54039	0.5
113.02446	3.6
135.11777	0.6
139.07188	0.5
174.65038	0.5
179.10774	5.6
233.52039	0.6
249.06033	4.0
267.07281	1.2
271.90775	0.6
297.13525	1.1
339.85190	0.5
343.64923	0.6
355.40939	0.6
429.17688	2.4
473.16525	8.4
474.17343	1.3
494.70398	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
70.50676	24.8
71.01399	49.5
78.95894	16.7
85.02984	11.8
89.02444	63.1
101.02423	17.7
113.02457	22.3
116.82298	8.9
118.77187	8.1
137.51184	8.4
161.31726	8.2
171.10274	25.0
179.03535	9.9
179.05646	20.1
218.99878	7.6
275.20197	45.0
277.21814	11.2
293.21194	38.0
357.70071	8.6
383.87527	9.0
473.28864	19.6
473.35587	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	473.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91028	1.2
57.03434	1.9
58.00618	2.0
58.17709	1.2
59.01376	51.4
61.98829	1.8
66.20016	1.1
66.52367	1.2
70.74519	2.4
71.01382	19.3
72.99301	2.1
73.02918	3.6
83.01388	2.1
85.02942	5.5
85.25385	1.2
87.04498	1.3
89.02444	14.5
90.45710	1.4
91.69862	1.2
95.01337	1.5
98.20538	1.4
101.02428	11.7
106.89789	1.2
113.02446	9.0
119.03506	5.8
121.02955	12.1
135.77321	1.4
183.13857	3.1
223.16988	7.1
235.17010	3.2
275.20197	5.4
283.06064	1.9
293.21176	10.0
311.05655	3.2
311.22391	8.3
313.07266	2.9
401.08719	5.9
439.72717	1.2
473.27499	100.0
474.27911	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	4.9
61.98799	2.8
69.14979	18.0
69.15392	2.8
69.46558	1.7
127.67089	2.0
145.32866	1.9
153.66902	2.3
205.15953	3.5
279.23267	100.0
280.23642	8.0
473.22928	2.1
473.28275	16.4
473.37302	2.9
474.28729	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	474.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36754	1.5
56.56786	1.6
56.85541	1.6
59.01378	7.1
61.98829	100.0
71.50598	3.2
78.58947	1.7
103.78154	1.7
135.04547	3.6
179.03546	2.3
230.08847	1.8
457.26691	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	474.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.8
60.36744	0.6
61.98820	1.2
69.17268	4.1
69.17691	1.7
71.01393	1.7
78.95908	100.0
81.44417	0.6
83.13201	0.5
90.70551	0.6
96.96958	8.4
96.97530	1.0
112.63407	0.6
114.50248	0.5
119.75220	0.5
131.79825	0.5
134.86691	0.6
140.01237	1.9
152.99590	15.5
171.00665	18.2
185.79665	0.6
196.03792	0.8
214.04893	1.3
259.13107	0.6
277.21719	49.1
278.22131	5.2
283.06720	0.7
399.00388	0.7
400.22589	1.2
474.26260	59.9
475.26154	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	474.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17905	0.5
59.01379	1.5
67.19867	0.5
69.16860	1.2
69.17276	3.8
75.44032	0.5
78.95902	56.9
91.23679	0.6
96.96964	2.9
97.83212	0.5
121.15183	0.6
140.01187	5.7
149.46457	0.5
152.99588	7.8
166.58038	0.5
171.00616	6.9
187.30737	0.6
196.03809	12.2
197.03949	0.5
214.04826	3.2
235.43901	0.6
275.20340	0.6
277.21701	100.0
278.22046	9.0
308.35294	0.6
400.22473	0.8
463.95367	0.5
474.26221	45.3
475.26791	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
59.63448	3.4
69.18559	39.7
71.01367	28.3
71.51179	4.0
73.02922	9.5
85.02952	8.8
87.00826	4.8
87.15373	4.2
89.02434	8.7
101.02433	11.5
109.02949	6.0
113.02422	11.6
115.00346	12.3
133.01392	16.4
133.02917	8.4
135.04523	8.0
138.06717	3.9
147.04437	10.9
149.02400	9.4
153.09198	7.1
159.04494	4.3
161.04633	4.1
177.01837	5.3
177.06131	3.8
179.03511	4.7
180.25334	3.7
225.14859	11.2
268.00079	4.1
283.05829	7.3
295.05969	7.5
311.05582	12.5
339.04938	4.4
343.59436	3.8
369.18997	14.4
375.07910	4.0
387.20020	12.8
400.24533	4.0
412.99286	3.8
428.16473	4.1
468.31470	4.3
473.10883	4.8
473.18869	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	473.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
59.24909	0.9
61.98811	1.9
64.76943	0.9
70.25011	0.8
71.50510	1.1
110.80180	1.0
116.43742	1.0
135.04495	1.0
189.04605	1.1
415.11786	2.2
473.15790	2.8
473.28802	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.7
58.00607	0.4
59.01377	100.0
60.01707	1.3
61.98830	2.1
69.03455	1.5
71.01379	10.0
71.05041	0.9
71.50816	0.4
72.99303	1.4
73.02943	2.3
75.00876	1.5
83.01379	0.8
83.05022	0.8
85.02949	2.9
87.00884	0.9
89.02448	2.9
91.56409	0.4
93.03489	0.8
95.01386	0.7
97.02929	0.7
97.06577	0.5
98.86039	0.4
99.00908	1.3
99.04552	0.4
101.02426	3.4
105.03527	0.7
109.02954	0.6
111.08183	0.8
111.09366	0.4
113.02449	3.4
115.00395	1.5
115.04055	0.8
117.03469	0.9
119.03522	1.6
121.02962	1.0
125.02467	1.2
130.04251	0.6
133.01430	1.0
133.02977	2.1
134.03737	0.7
135.04529	2.4
137.02484	0.5
139.04289	0.4
147.04518	1.3
149.06021	0.5
159.04485	2.4
161.04594	1.4
165.12846	5.9
173.02406	1.0
177.01912	14.6
178.02341	1.3
179.03467	1.3
179.05618	0.4
181.12372	0.4
183.13968	1.6
191.03624	0.5
191.14528	0.7
211.13416	0.7
213.09297	0.6
251.16705	0.8
268.03821	0.5
269.04855	0.4
269.08160	0.5
275.09320	0.9
281.04721	0.7
283.06143	2.5
293.18048	0.5
293.21222	0.9
306.07755	0.7
311.05536	4.5
311.22363	0.5
313.07260	0.5
335.05994	0.4
341.06802	0.7
347.40607	0.5
351.31506	0.5
370.10794	0.5
375.16263	0.4
392.09940	3.3
392.60135	2.5
393.10846	0.6
413.08875	1.2
413.21680	0.8
473.11206	1.5
473.27658	13.0
474.27859	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	473.239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25184	0.8
55.01865	1.1
57.03430	2.3
59.01380	72.1
60.01702	1.4
63.11831	1.0
64.06346	1.0
65.49831	1.0
67.01888	1.1
68.99820	2.7
69.03446	1.4
71.01386	18.3
72.99316	4.8
73.02940	4.2
75.00877	18.9
76.68287	1.2
83.01405	1.0
85.02951	19.7
87.00887	6.4
89.02444	4.4
91.03956	1.1
92.03426	0.9
95.01384	5.6
98.25128	1.0
98.90725	1.0
99.00873	10.2
101.02433	2.6
102.42668	1.2
103.00365	2.5
109.02929	1.6
111.04478	1.3
113.02448	23.0
114.56061	1.1
115.00393	2.7
117.01944	2.8
129.01942	2.1
135.11789	7.2
157.01431	1.5
161.09740	2.4
175.02435	2.8
179.10783	27.2
180.10947	1.4
189.03877	1.2
223.09737	3.5
231.05119	2.8
232.50847	0.9
249.06134	33.0
250.06464	2.2
267.07184	6.9
297.13409	10.2
411.16827	2.1
429.17645	24.4
430.17847	1.6
455.15396	1.6
473.16632	100.0
474.16937	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	473.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.4
57.03437	5.1
59.01377	47.5
65.82942	1.4
67.01884	2.4
68.99818	3.0
69.03445	3.5
71.01377	43.9
72.99300	14.3
73.02933	5.6
75.00872	37.8
81.03396	1.6
83.01379	3.0
85.02944	47.8
87.00877	16.7
89.02452	10.4
91.03998	2.7
93.03436	2.7
95.01383	13.0
97.02933	2.6
99.00884	25.0
101.02454	1.7
101.37602	1.3
103.00367	4.5
109.02953	1.8
111.00865	3.0
111.04515	2.8
113.02447	54.1
115.00347	5.4
117.01942	4.8
129.01926	4.3
135.11800	16.9
157.01399	3.1
161.09695	2.7
175.02454	6.9
179.09166	3.1
179.10760	57.6
180.11147	2.1
185.52126	1.8
189.03906	2.8
196.40524	1.5
197.75272	1.5
223.09843	2.7
231.05089	8.8
249.06134	90.9
250.06525	5.2
267.07190	32.5
363.01407	1.5
372.65106	1.6
411.16821	7.5
429.17624	99.2
430.17950	12.2
473.16580	100.0
474.16864	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	473.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.1
57.03434	5.1
58.00584	2.7
59.01379	52.6
67.01897	1.8
68.99812	4.1
69.03446	2.2
70.80957	3.2
71.01379	40.3
72.99300	13.8
73.02938	9.4
75.00472	2.5
75.00871	39.6
75.79186	1.3
82.57774	1.5
83.01396	2.2
85.02948	38.9
87.00875	16.7
87.04515	2.5
89.02453	9.1
91.03986	4.7
93.03441	2.0
95.01370	10.1
99.00877	19.6
101.72934	1.4
103.00362	5.2
108.41387	1.3
110.96465	1.3
111.00840	3.1
111.04483	1.4
113.02447	55.9
115.00340	3.2
117.01933	4.6
129.01917	2.1
135.11778	6.1
157.01479	2.8
159.08148	2.1
161.09680	7.3
175.02518	7.0
179.10768	77.5
180.11115	3.5
205.07147	2.2
211.13120	1.5
223.09874	2.1
231.04987	7.1
247.89780	1.7
249.06142	58.9
250.06528	3.3
267.07236	20.9
268.07657	1.6
297.13455	6.9
306.51892	1.6
408.49756	1.7
411.16547	4.1
429.17636	39.7
429.23138	3.1
430.18100	3.1
455.15695	3.6
473.16608	100.0
474.16840	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	3.5
59.01376	23.9
67.01894	1.3
68.99807	1.6
69.42731	2.8
69.43146	7.2
71.01383	21.5
72.99302	5.4
73.02935	2.9
75.00864	18.6
85.02942	22.2
87.00880	9.5
89.02438	5.2
89.35076	1.3
95.01363	5.8
99.00880	12.7
101.02411	1.8
103.00385	3.0
113.02449	24.5
113.82245	1.3
115.00375	3.7
117.01930	2.5
135.11809	7.3
140.47400	1.4
157.01440	1.5
159.08128	1.3
161.09767	2.2
174.06676	1.3
175.02509	4.1
179.10780	26.0
223.09756	2.4
229.71620	1.1
231.05104	3.5
249.06136	32.3
267.07217	10.6
295.94955	1.3
297.13361	10.9
411.16284	3.3
429.17667	19.0
430.18042	1.6
431.28113	1.2
437.35098	1.3
450.73990	1.5
455.15689	1.8
473.16583	100.0
474.17014	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	473.1605
Annotation	Neocalyxin A
Peak:m/z	Relative Intensity
59.01378	9.1
61.98240	1.2
61.98823	1.3
67.00362	1.1
69.51726	8.4
109.02995	1.2
121.02952	1.6
133.03026	1.3
135.04535	2.2
147.04350	1.2
149.00955	1.9
161.02467	1.7
173.02417	1.4
174.03185	3.3
183.04448	2.7
201.01874	3.7
225.01968	2.4
227.03426	2.4
229.08690	5.7
230.92996	1.2
239.03477	3.3
249.30287	1.1
274.06177	1.8
283.06119	1.3
289.86002	1.3
315.06613	2.2
331.06192	3.4
332.06827	1.8
343.06143	2.5
345.04117	7.5
346.04672	2.0
355.09888	1.5
359.05716	7.8
360.06314	8.4
371.05704	8.1
371.12842	11.5
372.12927	1.5
392.05457	3.7
397.11014	2.1
399.08466	1.9
414.11163	3.5
415.11877	95.6
416.12231	13.3
455.14673	7.0
456.15085	1.7
473.16068	100.0
474.16492	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	473.1602
Annotation	Neocalyxin A
Peak:m/z	Relative Intensity
59.01375	4.7
61.98830	8.9
64.07302	0.7
66.94040	0.6
69.28928	0.7
70.48376	0.7
70.98361	1.5
81.37553	0.6
97.02958	1.9
130.04245	1.1
133.02946	0.8
135.95624	0.8
147.04523	1.3
157.02939	0.6
161.02426	17.7
173.02376	1.4
174.03210	9.7
185.02435	12.5
186.03168	0.8
186.47710	0.7
198.03143	0.9
199.04105	1.1
206.02155	6.5
211.03949	1.1
220.74684	0.7
225.05545	3.0
226.06314	0.7
227.07030	0.9
229.06424	1.0
229.08694	21.6
230.08894	0.9
253.08612	2.1
258.05295	1.0
272.04565	1.1
281.04840	0.6
283.06046	0.9
309.20651	1.4
311.05646	1.0
315.06644	0.8
316.07193	0.9
328.07135	0.8
331.18976	0.8
341.08029	1.8
341.11874	0.8
342.08542	0.7
348.06378	1.9
355.09674	2.4
356.10376	3.2
359.05655	1.5
360.06485	1.1
371.12918	14.1
372.13162	1.7
385.06876	0.6
385.10864	4.4
391.20673	0.7
395.12912	1.5
397.07123	1.0
399.08554	0.8
410.14984	2.2
411.16202	1.0
415.11841	76.0
416.12149	8.2
455.14969	33.7
455.21481	1.5
456.15210	4.9
473.16019	100.0
474.16449	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	473.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.3
57.03435	2.6
59.01378	36.9
61.98824	1.2
62.70469	0.8
63.03694	0.8
67.01892	1.0
68.99801	2.8
69.03453	2.3
70.31373	0.9
70.31712	3.0
71.01012	1.5
71.01384	22.8
72.99304	5.7
73.02950	4.3
75.00471	1.5
75.00869	20.9
81.03463	1.6
83.01371	1.8
83.05022	1.2
85.02456	1.6
85.02950	24.2
87.00873	6.5
89.02444	5.5
91.03999	1.7
93.03463	1.2
95.01385	6.4
98.20573	1.1
99.00276	1.0
99.00883	11.3
101.02427	1.7
103.00365	2.3
109.02979	1.4
109.91900	0.9
111.00890	0.9
113.02451	24.5
115.00371	2.5
117.01936	2.6
129.01930	1.5
132.17032	0.8
133.01402	2.2
135.11807	7.9
157.01418	2.6
161.09645	1.6
172.82846	0.7
175.02420	3.9
176.57689	1.0
178.73152	0.8
179.10770	31.1
180.11148	2.1
189.04008	1.0
205.07155	1.0
231.05060	4.3
249.06143	41.5
250.06458	2.8
267.07196	10.9
268.03720	2.3
297.13376	2.5
311.05746	1.2
411.16599	2.7
413.21561	1.4
429.17606	31.5
430.17862	1.9
455.15219	2.1
473.16574	100.0
474.16898	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	473.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
57.03433	2.2
59.01382	30.3
61.98832	0.8
64.76055	0.6
65.00329	1.0
67.01898	1.2
69.03449	1.3
70.61005	1.9
71.01384	13.6
72.99313	3.8
73.02950	4.1
75.00872	6.4
77.03983	3.0
77.38609	0.6
79.01902	2.4
83.01382	0.9
85.02954	11.1
87.00880	4.0
89.02428	3.9
90.63329	0.7
92.40119	0.6
92.59946	0.6
93.03453	3.9
95.01398	2.8
97.02966	1.0
99.00884	5.4
99.04474	0.8
101.02444	3.8
103.00344	1.0
105.03469	1.5
109.02965	5.9
112.01699	1.2
113.02452	14.4
113.03242	0.7
115.00378	3.9
117.01957	1.6
117.03473	14.6
119.05033	2.3
121.02933	2.7
123.04526	0.9
129.01939	1.5
133.01396	1.8
133.02951	1.4
134.03766	0.7
135.04530	5.5
135.11800	2.3
137.02379	0.7
145.02910	1.2
147.04492	2.3
149.02441	1.4
154.71378	0.7
157.01425	0.6
159.04489	4.7
161.02449	8.1
161.04448	1.2
161.09750	1.0
163.00397	1.3
163.04044	4.3
165.01927	1.4
171.04506	2.2
173.02448	1.0
175.00282	0.6
175.02449	2.4
175.03893	0.8
177.01962	1.0
179.03513	2.3
179.05318	0.6
179.10773	11.8
182.03738	0.7
183.04512	1.3
183.08174	1.0
185.00943	0.7
185.02444	0.9
187.04012	1.1
188.03871	0.6
189.01936	0.8
191.03468	1.2
193.01443	0.6
193.06567	0.9
195.04543	0.6
195.08162	0.7
196.05324	0.8
197.06108	0.8
203.03520	1.5
205.07211	1.1
209.06180	0.7
211.07715	1.3
212.38589	0.6
213.59128	0.6
221.06024	0.7
223.07675	0.9
223.09790	1.2
224.04803	1.1
225.05643	0.7
225.14906	0.9
227.07080	2.7
231.05060	1.1
237.05592	1.2
238.06380	1.2
239.07097	3.0
249.06125	7.1
253.05049	1.5
253.08755	1.2
254.05756	0.7
259.80591	0.8
263.07382	0.8
267.03000	0.8
267.07126	5.7
268.03766	2.9
268.06705	0.7
269.04541	5.2
281.04547	10.7
281.08145	5.0
282.05249	4.0
283.06122	56.2
284.06454	5.2
293.04532	4.2
295.06100	8.1
296.06363	0.9
297.13452	3.0
308.03458	1.0
309.04105	1.9
311.05615	100.0
312.05994	8.8
313.07431	1.2
313.10794	6.4
314.04391	1.8
321.04095	1.3
323.05597	14.0
324.05911	1.3
335.05338	0.7
341.06644	19.7
342.07135	1.5
353.06714	2.1
357.09811	1.7
395.07523	1.2
411.16946	0.7
413.08789	15.5
413.21817	2.2
414.09113	1.6
429.17612	10.1
430.18030	1.1
431.22711	1.4
473.10748	27.0
473.16745	37.2
474.11139	3.9
474.17096	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	473.1088
Annotation	Germanaism B
Peak:m/z	Relative Intensity
59.01377	10.8
67.54784	0.6
68.42162	0.6
68.58834	0.7
69.28394	5.4
69.28794	1.6
71.01386	5.4
72.99329	0.8
73.02936	1.3
75.00864	2.8
76.72626	0.7
77.03960	2.9
79.01871	2.4
80.64327	0.6
85.02941	3.6
89.02407	1.6
93.03449	3.5
95.01398	1.1
98.20689	1.1
99.00867	2.0
99.89564	0.7
101.02430	1.2
105.03481	1.2
107.73720	0.6
109.57581	0.6
111.47423	0.6
113.02439	5.0
115.00368	0.7
117.03455	11.3
119.04987	1.5
121.02920	2.4
129.02002	0.8
135.04503	2.9
145.02937	1.3
147.04463	0.7
149.02403	0.7
159.04472	2.6
161.02428	4.8
162.03069	0.7
163.00314	1.4
163.03961	1.9
165.01900	2.0
169.41525	0.7
175.02458	1.0
177.02008	0.8
179.10767	4.3
183.04517	1.4
183.08241	1.1
187.03940	1.4
193.05087	0.7
196.64574	0.6
197.06067	1.5
209.06015	0.9
210.06810	0.8
211.07599	1.3
223.09711	0.9
224.04741	0.8
227.07133	2.0
237.05528	0.7
239.07166	3.5
240.35956	0.7
249.06065	2.9
253.05017	1.5
267.07098	1.9
268.03870	0.7
269.04562	6.5
279.06439	0.9
281.04532	10.0
281.07556	1.2
282.05365	4.4
283.06107	56.1
284.06406	4.7
293.04617	4.2
295.06024	9.2
309.03961	1.3
311.05582	100.0
312.05933	7.9
314.04294	2.0
321.04071	2.1
323.05560	15.8
323.09357	1.0
325.07434	0.7
341.06641	25.6
342.06958	1.9
353.06625	1.3
357.09796	1.6
377.06488	0.9
395.07571	2.4
413.08725	9.3
414.08978	1.6
429.17755	4.2
473.10803	32.6
473.16772	14.3
474.11060	3.6
474.17166	2.1
481.62555	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1085
Annotation	Germanaism B
Peak:m/z	Relative Intensity
55.23940	0.5
59.01383	6.3
65.00306	0.5
70.25376	0.9
71.01369	0.9
73.02924	0.8
77.03960	2.2
79.01902	1.3
85.02953	0.7
93.03465	3.0
95.01363	0.6
95.05005	0.6
99.51620	0.6
105.03448	1.7
107.01375	0.7
109.02932	0.9
112.03458	0.6
113.02433	0.7
115.00333	0.7
117.03464	19.3
119.04979	1.6
120.60676	0.7
121.02957	3.2
125.02470	1.2
133.02963	1.1
135.00954	0.6
135.04510	3.9
137.02460	0.8
145.02946	1.0
146.03749	0.7
147.04507	2.7
148.01646	0.7
149.02444	3.2
159.04480	4.1
161.02440	11.3
162.02924	0.8
163.00360	2.1
163.04005	5.8
165.01909	1.1
169.06485	0.7
173.02493	0.8
175.00298	0.7
175.03989	1.6
177.01892	1.2
179.03456	0.8
183.04550	0.7
185.02415	0.7
191.03526	2.9
193.06541	0.6
197.06062	0.9
203.03438	2.4
210.06836	0.6
211.07571	1.1
215.03540	1.2
215.07137	0.9
224.04909	0.9
225.05557	0.9
229.01357	0.7
237.05588	1.3
239.03464	1.3
239.07112	1.6
253.05078	1.6
254.05716	0.9
257.04416	1.0
267.06708	0.9
268.03702	4.4
269.04541	10.1
279.06570	1.3
281.04550	12.3
281.07590	0.5
282.05249	5.9
283.06104	53.7
284.06482	3.5
293.04507	8.2
295.06076	6.9
296.06262	0.8
297.03955	1.5
307.06021	0.8
308.03174	1.3
309.04044	2.5
309.07370	0.7
311.05594	100.0
312.05939	9.3
314.04391	2.1
321.04022	1.3
321.07712	0.6
323.05606	15.2
324.05981	1.5
325.07083	1.3
335.05652	1.0
339.05035	0.9
341.06659	15.8
342.06912	1.0
349.07169	1.3
353.06705	2.8
377.06650	1.6
395.07782	1.3
413.08746	31.6
414.08951	2.5
431.09738	1.1
473.10883	37.1
474.11343	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	473.1085
Annotation	Germanaism B
Peak:m/z	Relative Intensity
59.01376	3.9
69.59265	1.2
69.59676	2.2
71.01367	0.8
77.03966	3.0
79.01896	1.9
93.03472	2.8
105.03450	1.2
107.01377	1.2
117.02657	1.1
117.03458	17.6
119.00389	0.6
119.05032	1.3
121.02928	3.6
125.02465	0.6
133.02968	1.0
135.04509	3.4
145.02950	1.1
147.04530	1.4
148.01633	0.8
149.02408	2.1
151.00273	0.6
159.04500	3.6
161.02446	8.0
163.00385	2.6
163.04013	5.1
165.01930	0.7
171.08096	0.8
173.02399	0.6
175.00456	0.8
175.04056	1.0
177.01857	0.5
179.03493	1.0
183.08122	0.6
185.02466	1.0
191.03461	1.8
193.01408	0.9
195.04391	0.8
196.05339	0.6
197.06084	1.3
203.03415	1.9
205.39276	0.5
211.07660	1.2
215.07106	1.4
225.05563	1.0
239.07079	2.3
241.05066	0.6
243.06499	0.6
253.05043	0.6
267.06750	0.9
268.03723	3.8
269.04562	5.8
281.04547	6.5
282.05353	5.0
283.06104	54.7
284.06482	3.8
293.04538	3.4
295.06052	4.2
309.03946	1.0
311.05597	100.0
312.05954	8.2
314.04269	1.2
321.04089	0.9
323.05594	9.5
324.05789	0.7
339.04868	0.7
341.06674	12.7
342.06985	1.2
353.06592	1.4
377.06662	0.9
395.07971	0.7
413.08765	18.6
414.09158	1.6
429.18222	0.7
463.58157	0.6
473.10889	32.0
474.11124	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	4.3
69.18216	5.6
69.18648	5.7
81.37510	1.5
112.99222	1.1
119.77986	1.0
146.86571	1.2
193.07063	1.4
277.21707	100.0
278.22034	11.5
286.51089	1.3
471.34448	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	471.3477
Annotation	Corosolic acid
Peak:m/z	Relative Intensity
58.00584	0.2
58.14162	0.1
59.01358	0.1
60.91149	0.1
60.96514	0.1
65.26332	0.1
70.90845	0.3
71.99354	0.1
99.20837	0.1
151.48119	0.2
166.65152	0.1
166.73320	0.1
230.42354	0.1
245.43956	0.1
264.83102	0.1
296.57367	0.1
377.28253	0.3
393.31516	0.6
415.25592	0.1
423.32748	1.1
424.33200	0.2
471.34753	100.0
472.35101	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42292	0.2
59.01369	0.9
59.01867	0.2
61.98821	0.5
69.83038	0.4
69.83446	0.9
71.01387	0.5
71.06074	0.3
75.89265	0.2
89.02444	0.4
105.28665	0.2
113.27129	0.3
148.48859	0.3
192.11292	0.2
196.33070	0.2
206.10361	0.2
291.19849	0.6
363.96640	0.2
368.56033	0.2
471.34772	100.0
472.35129	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	473.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	6.5
61.98822	0.5
65.86824	0.5
70.19505	0.6
70.19849	1.8
71.01386	17.3
72.99294	0.5
73.02935	0.6
83.01416	0.5
85.02946	0.8
89.02457	1.4
93.03442	0.9
101.02471	1.8
101.03970	0.6
103.92558	0.5
108.02174	1.0
109.02962	17.7
113.02454	1.3
115.00384	35.8
116.00684	0.5
117.03419	0.8
119.05042	4.6
121.02972	2.5
123.04499	1.2
129.03491	9.1
130.04276	0.8
131.05019	0.6
133.01445	5.8
135.04541	1.7
145.02966	5.1
146.03746	6.0
147.04530	100.0
148.04854	4.8
157.02957	0.8
157.80341	0.5
158.03757	0.9
159.04514	12.0
160.04811	0.5
161.02441	0.7
161.04460	0.5
163.03859	0.5
173.02460	1.2
185.02466	0.6
201.92224	0.5
225.05524	0.8
229.01393	3.8
232.09424	0.5
239.07117	0.5
249.05592	1.5
250.06273	0.6
251.07121	0.7
252.04381	0.6
252.07921	1.1
253.05061	4.1
254.05423	0.6
266.05814	0.8
266.54999	0.6
267.06580	2.7
269.08194	31.8
270.08456	2.4
276.03680	0.5
277.05054	2.3
283.06091	0.8
293.04541	1.2
294.05420	0.8
295.06097	3.5
297.04080	1.8
311.05710	1.1
313.07184	26.1
313.10861	1.3
314.07468	2.6
326.63168	0.6
339.05121	6.5
340.05606	0.6
357.06177	0.9
393.17230	0.5
413.08789	0.6
431.15686	1.1
469.55661	0.5
473.06927	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58057	0.9
59.01384	13.9
70.71329	2.5
71.01382	21.6
73.02939	1.8
83.01408	1.6
85.02956	2.3
89.02465	2.7
101.02467	4.9
106.28008	0.8
109.02959	17.8
110.99572	0.9
113.02441	3.2
115.00378	37.9
116.00719	1.2
119.05048	5.4
121.02955	2.8
123.04510	1.5
129.03479	9.1
130.04272	0.9
133.01437	6.9
138.99829	0.9
140.83258	0.8
145.02977	6.1
146.03745	5.6
147.04524	100.0
148.04936	4.1
157.02895	1.4
158.03714	1.1
159.04532	14.4
160.04839	0.8
161.04605	1.5
228.46942	1.0
229.01413	3.6
239.07138	1.0
249.05499	1.7
252.04248	2.3
253.05087	13.9
267.06580	3.0
269.08160	33.2
269.10974	1.7
270.08450	3.2
277.05026	1.7
293.04596	1.8
295.06104	3.8
297.04001	4.9
313.07199	34.4
314.07526	2.6
339.04999	4.4
357.06207	1.8
365.57199	0.8
431.15506	4.4
434.64999	1.0
473.07401	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	470.13
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01115	3.5
59.01379	49.9
61.46895	2.6
61.98829	72.7
64.69538	2.5
70.25308	6.4
70.25695	4.7
71.01385	18.0
71.12598	2.5
72.99300	5.0
78.40234	2.6
80.41081	2.6
85.02941	4.0
89.02439	12.2
101.02438	10.6
113.02430	7.1
115.00357	5.1
115.12522	2.5
119.03510	4.1
124.46163	2.4
133.01340	5.8
135.04462	3.9
150.04073	2.7
152.04553	2.8
177.01956	3.6
203.60687	2.8
211.03983	26.3
227.07123	100.0
228.07455	7.4
254.05885	5.0
269.08163	3.9
311.09204	11.3
407.13480	53.5
408.13315	5.8
471.22449	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	471.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69694	0.4
59.01376	1.1
63.38578	0.3
71.01381	6.5
88.83244	0.3
93.03458	10.1
109.02955	0.6
111.00834	0.4
115.00378	6.9
121.02959	1.3
133.01425	1.3
133.02977	1.2
134.03740	36.0
135.04150	1.1
137.02446	17.4
139.04054	1.7
149.02415	0.3
149.06075	12.7
150.03241	0.6
150.06422	0.6
161.02411	0.8
174.08699	0.3
177.01999	0.6
178.02705	25.7
179.03302	2.0
193.05049	100.0
194.05367	5.1
204.04218	0.5
219.06639	0.5
249.07819	0.5
265.04959	0.5
267.06638	1.8
280.56906	0.4
293.04611	0.4
311.05447	0.9
329.98932	0.4
337.03348	0.5
338.92465	0.4
355.04321	0.6
355.05118	0.7
355.10294	13.9
356.10559	1.1
411.64383	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72929	0.5
59.01365	1.5
61.98827	1.8
71.01384	16.5
71.16544	0.6
72.99314	1.9
78.17485	0.3
79.76494	0.4
109.02955	0.9
115.00392	5.5
121.02946	0.5
127.64983	0.4
129.01935	0.5
133.01398	1.1
133.02957	1.0
134.03745	42.1
135.04257	1.5
137.02443	3.3
139.04044	1.3
147.04471	0.6
149.06085	15.1
150.06412	0.6
159.04468	0.4
161.02429	1.8
177.01976	0.9
178.02711	19.6
179.03333	1.8
193.05055	100.0
194.05379	4.9
203.03503	0.5
211.07855	0.4
249.07779	0.5
267.06470	1.8
311.05582	1.0
355.04657	1.0
355.10306	3.2
356.10321	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.7
61.98817	0.4
65.03957	0.4
71.01378	0.7
73.02959	0.4
85.02987	0.3
93.03456	82.6
94.03777	2.5
98.19843	0.3
101.02438	0.4
109.02940	0.4
115.00388	0.4
121.02943	0.5
128.03511	0.2
133.01436	0.5
133.02963	0.4
134.03812	0.3
135.04550	0.6
137.02441	100.0
138.02779	3.5
145.02928	0.2
149.06021	0.3
161.02437	0.5
176.01201	0.2
177.01987	0.6
179.03490	0.6
189.01921	0.6
193.05110	0.3
193.77852	0.2
229.12617	0.2
237.05580	0.3
265.05072	0.3
267.06650	0.7
293.04654	0.4
309.04163	0.3
311.05643	1.8
312.05820	0.2
328.78220	0.2
337.03540	2.2
355.04581	0.4
411.19873	0.2
429.14203	0.6
471.15213	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.2
57.79932	0.3
59.01377	100.0
60.01715	1.1
61.98824	1.4
69.03481	0.4
71.01383	4.9
72.99313	0.9
73.02949	2.5
83.01385	0.5
83.05030	0.4
85.02952	1.5
87.00900	0.3
89.02434	1.3
96.36533	0.2
97.02863	0.3
97.06649	0.4
98.20680	0.5
99.04516	0.7
101.02427	2.7
109.02980	1.1
113.02460	1.7
115.00395	0.3
119.03474	0.5
121.02966	0.3
125.02422	0.4
130.08755	0.3
133.01450	0.3
135.04570	0.3
137.06136	0.7
150.97922	0.3
151.07626	0.3
153.02000	0.4
161.04631	0.8
163.04083	0.5
170.12421	0.2
179.05678	0.3
192.11574	0.7
203.05698	1.4
207.13870	5.4
249.14951	1.1
267.16116	0.5
337.10071	0.3
411.20303	1.0
471.22766	3.7
471.29092	0.6
472.23181	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
60.46859	0.7
61.98828	8.5
64.69511	0.7
69.45630	3.7
69.46044	1.6
71.01376	10.3
72.33505	0.6
72.99312	3.0
84.04587	0.7
89.02434	1.0
92.67890	0.6
96.96031	1.4
107.05023	0.7
114.43857	0.6
114.99567	1.5
115.00371	24.0
133.01427	100.0
134.01707	2.1
134.03758	1.8
135.04517	32.1
136.04893	1.1
146.89839	0.7
156.07381	0.7
160.01627	0.6
169.00800	0.7
179.03493	30.9
180.03891	2.2
191.00240	1.1
207.43697	0.7
223.30296	0.7
283.43201	0.6
295.04596	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	469.1704
Annotation	13-O-Methylvernojalcanolide 8-O-acetate
Peak:m/z	Relative Intensity
55.01861	1.0
57.03439	2.9
58.00603	0.7
59.01377	65.1
61.98825	4.0
69.03443	1.6
69.48422	4.6
71.01377	24.4
71.39857	0.7
72.99309	1.7
73.02554	1.2
73.02939	11.5
83.01378	4.0
83.05061	0.7
83.22601	0.5
83.88998	0.7
85.02940	5.9
87.00867	2.1
89.02440	13.0
95.01362	1.9
98.19836	1.4
99.00843	1.0
99.04504	2.4
101.02431	19.9
113.02441	11.4
115.92039	0.6
119.03508	4.3
119.04198	0.8
121.02940	1.4
125.02425	2.4
131.03464	1.0
135.04518	0.9
136.05307	3.3
137.06081	7.7
143.03508	1.5
161.02417	1.1
161.04509	1.8
163.03981	2.1
173.09715	2.9
179.05661	0.7
187.83786	0.7
190.38040	0.6
191.10735	0.8
200.64120	0.6
203.10764	12.0
221.11800	9.8
229.08728	0.7
232.38043	0.6
240.08408	0.8
247.09782	1.2
265.10733	1.3
336.90509	0.6
365.15869	1.4
383.17126	3.2
391.13837	1.0
407.17929	1.5
409.15002	10.7
410.15735	0.9
427.15967	9.0
428.16327	1.0
438.54910	0.7
451.16794	10.7
452.16867	1.1
469.17114	100.0
470.17358	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	469.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	100.0
58.03802	1.8
59.01378	74.5
60.01720	1.0
61.98831	6.5
69.03456	2.1
69.14026	6.6
71.01382	12.5
73.02947	15.2
75.00883	0.6
81.03450	3.9
83.01396	3.8
85.02940	2.2
87.00877	0.6
89.02441	2.6
98.20697	0.8
99.04517	90.9
100.04862	2.1
100.36879	0.7
101.02437	23.9
109.02948	1.9
111.04536	0.7
113.02448	5.6
125.02443	39.1
125.20369	0.6
126.02742	1.0
131.03485	1.4
134.31621	0.7
143.03484	3.9
155.03444	1.7
161.02388	2.7
161.04500	2.8
166.11217	0.6
185.00813	0.8
203.05566	1.9
247.13477	1.1
258.18491	0.7
277.16385	1.0
304.00897	0.6
376.25815	0.7
406.19522	1.0
407.17905	1.5
409.20639	1.2
425.69165	0.7
451.16980	3.0
469.17419	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	470.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.9
59.01387	12.6
60.01709	1.0
61.98836	100.0
71.01388	4.4
73.02952	0.9
74.41040	0.7
83.01396	1.6
85.02979	1.4
86.02493	0.9
89.02452	2.0
99.04527	28.8
100.04871	4.8
101.02468	2.1
107.65100	0.6
108.02196	0.6
113.02480	2.2
115.00433	0.7
119.03521	0.7
119.05029	1.2
123.04440	0.8
133.01422	0.7
135.04536	1.4
145.02997	1.5
153.09273	1.8
161.04581	1.1
176.00212	0.9
177.01964	0.7
179.03462	1.4
225.15054	2.5
226.15471	1.1
227.07214	3.2
228.07446	1.3
229.08060	0.6
247.27229	0.6
254.05908	1.1
269.08289	1.5
275.08182	0.6
311.06244	0.7
311.09073	3.2
366.78836	0.6
387.20374	0.9
388.20532	0.9
407.13724	3.1
470.19684	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	468.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	20.1
59.01379	28.3
61.98832	26.4
69.03447	1.8
69.41881	6.8
71.01387	5.9
73.02950	3.8
81.99833	1.0
85.02946	1.9
87.00881	1.3
89.02444	1.5
93.03451	3.1
94.03799	1.3
97.06585	1.1
98.20577	2.4
99.04511	21.3
101.02458	5.9
104.05048	1.2
104.79658	0.9
106.06623	1.6
113.02446	2.0
119.03484	1.2
120.04661	0.9
122.06136	4.9
124.07678	4.0
125.02439	8.1
132.04565	12.4
133.05376	4.7
134.06139	5.8
135.04535	1.3
136.07692	1.1
138.05603	3.4
140.07130	2.5
148.04053	2.2
152.07176	1.2
161.04698	1.5
162.05612	3.0
165.04305	6.0
173.04614	1.5
191.05626	2.4
193.03795	2.3
198.09244	2.5
200.07153	2.4
202.08696	1.6
212.10789	4.1
213.06572	6.4
214.04953	1.1
214.08780	2.0
214.12283	5.5
215.11919	2.2
225.06639	1.5
227.08189	9.0
228.06654	9.8
228.10416	2.0
230.11829	2.0
239.08232	20.6
240.10545	1.1
241.09799	7.6
242.08179	5.8
253.05957	1.6
253.09816	4.5
254.10599	5.8
255.11339	8.4
256.09833	8.7
257.05579	1.5
257.10593	1.8
257.12836	5.7
258.11267	12.9
267.07721	7.6
267.11322	3.3
269.09308	2.4
271.07330	2.1
281.09244	6.5
282.10034	3.7
283.10855	6.1
285.12411	1.3
294.18610	2.5
301.11960	1.7
314.09161	5.9
321.16162	1.8
337.19122	3.9
345.10852	1.7
363.16928	2.3
364.17044	1.3
372.62527	1.0
376.13193	2.2
381.13937	1.2
381.18069	5.4
391.15262	2.7
406.17636	22.8
407.17743	3.0
418.63986	1.0
424.19003	1.7
425.17145	12.3
426.17227	2.3
432.15994	2.0
450.16675	100.0
451.17139	12.4
468.17743	71.9
469.17880	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	467.167
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	38.2
59.01111	1.8
59.01381	25.6
61.98797	1.3
69.15184	13.4
71.01372	8.0
89.02441	5.0
97.02968	1.9
99.04516	17.7
101.02444	12.2
109.02904	2.5
115.81578	1.3
125.02438	8.4
143.03476	1.7
145.07689	5.3
160.05518	1.2
160.06442	13.0
161.02464	1.9
161.04570	11.5
161.07201	47.4
173.10748	1.9
175.08769	29.2
187.08762	4.4
189.06689	77.7
190.07027	3.3
201.10347	7.6
203.08266	34.7
203.11890	8.0
229.09779	17.7
230.09970	1.4
245.08226	4.3
271.34238	1.6
277.12018	2.9
305.11414	69.5
306.11603	5.8
323.12460	100.0
324.12802	7.7
349.98917	1.4
365.13617	9.9
366.13577	2.0
405.16486	1.5
467.16443	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	468.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43567	1.2
55.92950	1.5
59.01380	10.1
61.98825	8.8
69.03448	5.4
69.21969	11.8
71.01373	3.4
87.00858	1.5
87.58018	1.3
90.20507	1.3
93.03461	4.2
96.77555	1.4
99.00877	2.2
106.06643	1.7
108.04557	1.6
111.04467	1.3
113.22797	1.4
122.06111	6.0
124.07665	2.9
132.04575	11.9
133.05363	2.7
134.06119	3.2
138.05655	2.2
140.07207	2.3
160.04143	2.3
161.04773	1.7
162.05548	1.8
165.04285	5.0
173.04530	2.9
185.00943	4.1
196.07689	1.9
198.09296	1.6
200.07109	2.1
202.08714	2.2
212.10797	3.4
213.06668	3.7
214.12312	3.8
225.06656	2.2
227.06258	1.6
227.08156	7.0
228.06738	8.0
228.10258	2.0
239.08278	17.8
240.08411	2.0
241.09833	5.7
242.08234	4.7
253.09799	2.6
254.10544	8.7
255.11320	6.2
256.09866	7.8
257.10468	2.4
257.12976	5.0
258.11316	12.3
267.07727	6.3
267.11017	2.1
270.10089	1.8
271.07013	2.4
281.09308	5.2
282.10068	4.4
283.10812	5.7
283.15524	1.8
289.09424	2.9
294.12775	1.4
294.18411	1.7
301.11862	1.9
310.15588	3.4
314.09009	6.3
336.13284	2.3
337.19238	3.7
338.18909	2.4
345.10956	2.2
363.16916	3.0
376.13052	2.2
381.18210	6.4
382.17783	4.1
406.17679	21.3
407.17798	1.7
424.18829	3.5
425.17041	9.9
426.17126	1.7
432.15829	2.6
436.19110	1.7
450.16681	100.0
451.17136	12.2
468.17691	75.7
469.18295	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	468.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00750	1.0
51.58442	0.9
59.01374	11.7
71.01365	2.2
73.02930	1.9
91.79471	1.1
93.03453	2.5
98.20664	3.4
101.02448	1.2
106.06610	1.6
120.04532	1.5
122.06123	4.6
124.07630	2.6
132.04559	7.4
133.05330	2.0
134.06152	2.6
138.05638	2.9
162.05469	1.2
165.04248	2.5
166.04739	1.0
173.04596	2.0
184.07722	1.3
200.07072	1.4
202.08809	1.6
212.10748	1.2
213.06732	4.2
214.12328	3.6
225.06758	2.3
227.08185	8.1
228.06696	5.7
228.10355	2.2
230.11795	1.9
239.08223	18.0
240.08513	1.4
241.09776	4.4
242.08044	1.4
245.10411	1.4
253.06110	1.6
253.09839	4.9
254.10506	5.6
255.11411	6.0
256.09677	5.1
257.05600	1.1
257.10513	1.6
257.12958	3.1
258.11328	7.7
267.07764	5.6
267.11325	2.9
281.09406	5.7
282.10141	4.6
283.10901	4.1
289.09518	1.4
314.09140	5.9
315.09299	1.7
337.19214	3.4
363.16898	1.5
364.17007	1.7
376.12625	1.7
378.14316	1.4
381.18082	2.6
391.15460	1.7
406.17719	14.7
407.17209	1.8
424.18765	1.3
425.17035	7.2
432.15195	1.8
450.16666	100.0
451.16995	11.2
468.17667	44.5
469.17834	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	467.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95397	0.6
57.03452	0.8
58.00595	0.9
59.01382	100.0
60.01701	1.0
61.98825	3.5
67.01891	0.9
69.03467	1.1
71.01384	13.5
72.99310	1.0
73.02951	1.6
83.01369	0.7
85.02966	3.2
87.00881	2.1
89.02446	16.9
93.03470	6.8
95.01415	0.6
99.04512	0.6
101.02452	6.9
111.04576	1.2
113.02467	6.0
115.00378	0.5
119.03497	7.4
119.97652	0.5
122.06137	0.6
131.03545	0.8
134.03757	0.7
135.04532	1.9
143.03543	0.8
149.04486	0.6
150.03191	0.8
161.02432	4.5
161.04637	1.8
173.04579	3.3
179.05652	1.9
191.05658	3.9
191.14388	0.8
219.10310	1.6
219.13940	0.8
239.08447	0.9
254.10677	0.6
263.09238	1.1
263.13013	0.8
447.89157	0.6
449.14398	2.7
450.16711	5.2
466.27609	0.8
467.15707	2.8
467.20935	1.1
467.27209	0.9
468.17871	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	467.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.0
58.44847	0.8
59.01379	100.0
59.61366	0.8
60.05774	0.8
61.98817	2.1
62.64654	0.9
63.18615	1.0
63.77994	0.9
69.78655	1.6
69.79069	3.4
71.01382	14.9
72.01688	0.9
72.59196	0.8
72.99284	1.0
73.02941	1.2
75.00859	2.0
77.42838	0.8
83.01376	1.4
85.02929	5.1
87.00863	2.1
89.02450	17.3
93.03452	3.6
95.01388	1.2
98.20541	1.6
101.02440	6.1
109.02951	1.6
111.14606	0.9
113.02467	6.1
117.66625	0.9
119.03539	5.4
133.02928	1.9
135.04488	3.5
139.03993	1.1
143.03456	1.3
149.04469	1.0
161.02426	1.0
161.04575	2.4
162.73544	1.0
173.04480	1.7
179.05606	6.8
191.05562	1.2
195.37917	0.9
201.09251	1.4
211.03995	21.6
212.04489	1.5
225.05684	1.1
227.07124	96.1
228.07404	7.7
245.08167	2.3
263.25043	1.1
271.08469	0.9
289.07080	1.9
407.13376	6.2
467.15225	1.3
467.21130	1.1
468.17731	2.0
468.30371	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	467.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.0
57.03442	5.0
58.00589	2.9
59.01377	98.7
60.01710	0.9
61.98825	5.4
67.01888	2.4
69.03460	4.9
71.01378	49.2
71.50695	1.1
72.99286	3.8
73.02945	27.4
75.00863	1.8
81.03473	1.1
83.01392	8.4
83.05013	1.0
85.02940	14.6
87.00862	6.7
89.02443	19.9
91.05520	2.4
93.03457	9.5
95.01367	4.8
97.02964	0.9
99.00879	4.4
99.04533	2.9
101.02437	34.1
111.04542	1.5
113.02442	15.2
119.03499	7.3
119.05011	8.9
121.02952	1.1
125.02479	2.1
131.03506	1.0
133.02972	1.3
134.03735	8.2
135.04514	24.8
136.04886	0.9
140.57294	0.7
143.03510	1.9
147.04549	1.2
149.04581	1.0
155.03470	1.1
161.02435	8.7
161.04485	3.9
169.06689	0.8
171.08157	11.5
173.04549	7.5
173.05896	1.0
176.01157	1.1
177.46568	0.7
179.03436	1.6
179.05742	1.1
189.09172	1.6
191.05576	6.0
201.09204	56.4
202.09535	2.5
219.10245	29.7
220.10587	1.9
221.53780	0.7
231.10179	1.9
245.08182	6.1
263.09222	2.6
303.12381	0.9
319.17801	0.8
323.14130	1.2
347.11157	0.8
361.18591	0.9
363.14505	18.5
364.14853	1.7
381.15530	20.2
382.16019	2.0
407.13419	39.7
408.13644	4.0
423.16571	6.1
424.17184	1.0
425.14499	41.5
426.14664	4.8
449.14243	3.5
466.27551	2.0
467.15521	100.0
467.28012	6.3
468.15829	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	467.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	93.2
60.01715	1.1
69.33541	2.8
69.33965	2.5
71.01384	12.0
73.02950	1.2
75.00912	0.7
85.02966	2.3
89.02454	12.7
95.01448	0.6
97.29227	0.6
101.02441	5.4
108.31452	0.5
113.02446	3.5
119.03516	5.4
124.90627	0.6
131.03517	0.9
143.03516	1.2
148.14548	0.6
152.46820	0.6
161.02435	5.2
161.04578	2.3
174.03299	0.8
179.05637	5.0
191.05600	1.0
211.04004	21.7
212.04651	1.3
225.05540	1.1
227.07143	100.0
228.07465	6.6
229.08794	1.6
245.08163	2.9
269.36115	0.7
289.76349	0.7
407.13589	7.8
408.13687	0.9
467.15845	1.1
468.19705	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40918	0.5
52.89143	0.5
57.03436	0.6
59.01376	10.3
61.98818	1.8
71.01387	2.4
73.02934	0.7
75.00878	2.6
75.40166	0.4
85.02950	1.4
89.02438	1.2
93.03458	1.8
101.02411	1.2
103.53432	0.5
107.43412	0.6
109.02914	0.7
113.02451	1.1
115.48860	0.5
117.92979	0.5
119.03503	0.5
145.02953	0.9
173.02431	1.3
173.04420	0.6
173.24510	0.5
174.03212	10.6
175.03963	2.1
183.08089	1.6
191.05630	3.2
197.06021	1.3
200.04610	0.6
206.02184	3.8
215.07111	16.2
216.07483	1.0
227.07109	12.5
228.07501	0.6
245.08160	100.0
246.08485	5.6
378.51859	0.7
407.22882	1.0
467.15399	1.1
467.28760	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	466.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19667	0.4
57.03455	2.1
59.01382	4.2
61.98820	0.7
69.36900	1.9
69.37327	1.5
71.01374	1.1
72.97047	0.4
73.02949	0.7
85.02960	0.4
93.03460	1.8
94.06619	2.7
95.03779	0.5
98.20650	0.6
99.04514	1.4
101.02400	0.8
106.06632	2.2
107.03780	3.8
109.02959	0.4
119.73801	0.4
121.05286	1.0
122.06120	21.9
123.03225	0.5
123.04517	0.9
123.06453	0.9
124.07684	4.0
132.04552	13.2
133.05353	6.5
134.06142	6.7
135.04521	0.6
135.06905	0.6
137.09657	0.5
139.02768	0.6
141.85646	0.4
145.07747	2.5
146.06093	1.6
147.03218	0.9
148.03999	0.8
149.04892	0.5
150.05612	1.2
152.07175	51.3
153.07498	1.7
155.10818	1.5
160.07770	0.5
161.02420	2.1
164.03516	1.0
165.04321	6.1
166.04990	1.0
167.05937	0.6
173.04565	0.9
186.09225	1.4
188.08315	1.6
191.05664	1.2
198.09215	0.6
199.09712	0.8
213.06697	1.2
214.09950	1.0
214.12411	2.3
215.11877	2.8
223.08769	0.9
225.10329	0.8
226.07571	0.7
226.12373	2.6
226.52695	0.5
229.09795	2.0
239.11891	3.0
240.08917	0.5
241.09792	2.3
251.11812	0.6
253.09851	1.5
254.10692	0.8
255.11378	0.6
256.10938	0.7
257.12936	20.9
258.13290	1.7
267.11371	1.7
268.12042	0.5
269.12924	8.3
270.13519	1.4
279.11472	1.1
280.11945	0.6
283.10959	1.2
297.12436	7.3
298.13235	3.4
301.12027	1.2
302.12668	2.2
304.13031	0.6
313.11838	0.7
322.14001	2.2
330.12292	4.0
394.21371	1.7
420.18567	0.6
422.20865	7.6
423.21075	1.0
430.17975	0.5
438.20016	2.8
448.18799	2.6
449.91260	0.4
466.19812	100.0
467.20117	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	466.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10560	0.4
54.50962	0.4
59.01379	0.6
61.98829	100.0
63.82462	0.4
64.78777	0.4
69.56426	2.6
87.73687	0.4
126.16655	0.4
142.29712	0.4
190.62428	0.4
211.27470	0.4
233.91583	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.3
61.98828	100.0
67.53622	0.6
69.93233	2.7
71.01380	2.7
90.72472	0.6
101.02436	1.2
113.02463	1.5
123.40014	0.7
125.32058	0.6
130.14046	0.7
165.09299	0.7
199.33339	0.6
201.01970	0.6
439.72415	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98438	0.4
53.34563	0.4
55.01872	1.4
56.28246	0.4
57.03449	2.7
59.01379	65.6
60.01735	0.6
61.06735	0.4
61.98831	2.0
69.03463	0.5
69.16016	4.3
71.01381	13.4
72.99324	1.7
73.02942	7.1
74.02458	0.6
75.00872	12.6
83.01387	4.1
85.02949	7.5
85.03407	0.7
86.00093	0.8
87.00903	1.6
89.02437	2.1
95.01413	1.4
99.00867	2.4
99.04504	0.9
101.02441	12.1
104.85181	0.4
105.41972	0.4
111.00861	1.0
113.02459	5.1
119.03499	0.7
119.04991	1.0
121.09704	0.4
122.06116	1.4
123.04613	0.5
125.02448	0.9
125.59938	0.5
129.01909	0.5
133.01428	0.7
133.02971	0.7
135.04543	0.7
136.07668	1.0
138.05577	0.6
147.04570	0.6
149.06111	0.6
150.03238	0.5
152.07161	2.5
158.05493	0.4
159.03030	1.3
159.04503	4.4
161.02490	1.1
161.04555	1.8
163.04019	0.9
173.02446	1.5
173.72820	0.5
174.03180	0.9
175.02689	0.6
175.03996	3.5
176.01123	0.6
177.01852	0.6
185.02432	1.0
189.01927	1.0
191.05681	0.6
201.01929	3.1
203.03458	3.4
212.49979	0.4
241.22798	0.5
242.05794	0.5
243.06598	5.9
243.19612	0.8
244.07013	0.8
245.08142	0.9
257.08191	1.1
257.12817	1.1
259.09897	0.8
259.14478	1.7
267.16031	1.4
285.07553	2.2
297.12305	0.6
301.20294	0.5
302.03278	0.6
303.08640	4.7
303.13251	0.7
303.21130	0.7
305.87192	0.5
353.03970	0.5
405.24881	4.6
422.20834	0.9
431.15955	0.7
447.25830	4.9
465.13730	3.8
465.26819	100.0
466.19821	3.0
466.27225	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	465.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	5.9
58.24189	1.4
59.01383	100.0
60.01707	2.2
61.23413	1.4
61.98824	1.6
71.01387	17.5
72.99272	1.5
73.02943	3.5
75.00867	3.6
83.01361	1.5
85.02968	3.6
89.02444	15.0
90.02425	1.5
99.04509	3.5
101.02441	7.3
109.02962	2.3
113.02435	8.4
115.00368	3.0
119.03531	8.4
125.02441	5.8
133.01485	2.0
135.04544	3.5
149.09724	4.2
153.09189	4.1
155.54738	1.4
161.04561	4.6
167.10776	10.9
171.04340	1.4
179.05627	6.3
186.50644	1.6
186.73457	1.3
191.05490	1.8
199.04265	1.6
210.05591	5.4
225.15111	1.7
243.15964	2.4
285.04163	2.4
345.15369	1.7
360.59128	1.6
363.16489	2.5
405.21484	8.2
465.15567	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	465.1403
Annotation	Yunngnoside A
Peak:m/z	Relative Intensity
55.01878	2.1
57.03451	6.1
58.00586	1.9
59.01383	100.0
61.83705	0.9
69.82050	0.8
71.01385	35.7
72.11319	1.0
72.37075	0.8
72.99303	1.9
73.02950	58.2
73.38317	0.8
74.03304	0.9
75.00877	4.6
75.42101	1.1
83.01400	12.8
84.84904	0.9
85.02961	5.2
87.00849	2.4
89.02452	9.4
89.55033	0.9
95.01414	1.0
97.02935	1.4
98.20786	1.2
99.00892	1.7
99.04516	2.8
101.02448	45.5
113.02447	14.0
119.03499	3.1
125.02455	2.9
130.04224	1.5
131.03464	2.5
133.64302	1.1
143.03481	2.5
147.04453	1.0
149.04581	3.6
155.03481	1.5
161.02490	7.7
161.04558	9.5
173.02399	1.0
174.03212	11.1
175.04012	10.7
179.05615	1.3
185.02402	1.9
187.03999	8.7
188.04378	1.2
189.01941	15.1
197.06018	1.2
198.03198	3.4
199.04062	2.6
200.04767	2.3
201.05539	5.8
203.03511	3.3
206.02225	3.4
211.04041	2.1
213.05544	7.3
214.06311	1.8
215.07152	11.3
216.07373	1.2
217.00999	1.0
225.05597	2.5
227.07161	2.9
229.28275	1.4
231.06555	2.8
242.05843	6.4
243.06625	40.6
243.62535	1.1
244.06999	3.0
245.08162	2.0
257.03619	0.9
261.07611	10.9
262.07880	1.4
271.02652	2.1
272.02863	1.5
273.03253	1.8
300.02682	1.6
301.03445	2.1
302.03455	5.2
303.04044	2.4
303.08536	1.7
387.11069	1.7
405.11743	8.3
406.12628	1.1
423.13162	8.9
423.18475	1.7
424.13397	1.3
447.13083	4.0
453.76401	1.0
465.14114	65.2
466.14471	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	464.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48349	0.5
57.03448	1.6
59.01377	32.0
61.98827	100.0
64.97522	0.5
65.10110	0.5
70.16165	0.6
71.01379	5.6
73.02949	1.8
75.00883	1.2
78.95904	1.6
80.69631	0.6
85.02955	1.2
89.02445	3.0
94.50064	0.6
99.04546	0.6
101.02446	2.8
113.02450	1.9
115.00343	1.5
119.03541	1.1
120.01204	0.8
121.02948	0.6
133.01434	1.1
134.06143	0.7
135.04559	1.5
137.02536	0.7
148.71600	0.6
179.03543	1.0
220.09753	0.6
229.05302	0.7
241.10077	0.5
271.02499	1.4
272.02890	2.2
274.94513	0.6
283.02393	0.7
300.02744	1.4
301.03119	3.5
302.03860	1.3
315.18289	1.7
357.19229	0.8
464.09061	2.4
464.14423	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1397
Annotation	Yunngnoside A
Peak:m/z	Relative Intensity
57.03428	1.0
59.01377	34.9
61.98815	2.1
71.01379	9.5
71.50344	1.0
72.99312	2.1
73.02942	9.5
75.00870	30.9
79.17416	0.6
83.01399	1.4
85.02939	3.2
87.07233	0.7
89.02441	2.4
91.44753	0.6
92.68410	0.6
95.01377	1.2
99.00859	0.8
101.02435	6.4
104.02692	1.5
108.02225	0.8
109.02954	1.0
113.02466	3.1
117.03493	0.7
119.03538	1.1
120.02150	1.3
128.70265	0.8
133.03003	0.8
135.04543	1.3
139.91116	0.6
143.03592	0.9
145.02892	1.0
147.04523	1.2
148.01624	0.7
149.02441	0.8
157.02866	0.7
159.04515	1.6
161.02426	8.9
161.04546	1.6
173.02492	0.9
174.03157	1.4
175.03903	3.2
177.01942	0.8
182.55246	0.7
185.00937	1.3
185.02440	9.5
187.03984	0.8
189.01921	11.5
190.02679	8.4
191.03329	1.0
191.05621	0.8
199.03891	0.8
199.07649	2.1
201.01929	19.2
202.02449	1.2
203.03484	13.3
204.03897	0.7
215.07114	5.1
216.04373	1.0
216.07483	0.8
222.01659	3.3
225.05576	2.5
225.07555	0.8
227.03474	11.2
227.07022	0.9
228.04143	1.2
229.05070	1.4
230.05836	1.3
231.06615	12.3
232.07031	0.9
242.05782	2.8
243.06593	100.0
244.06956	6.9
245.08221	1.3
259.06155	0.7
260.06885	6.3
261.07645	84.8
261.51392	0.8
262.07950	6.1
285.17120	0.7
302.03278	0.7
303.18329	1.0
303.21750	2.2
405.11725	7.2
406.12482	1.3
423.12955	3.6
465.13983	48.0
465.25702	3.3
465.31577	28.0
466.14191	5.8
466.31470	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	464.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01110	2.2
59.01381	30.4
61.98828	100.0
70.73557	1.5
71.01361	4.6
71.51009	2.1
73.02951	4.0
75.00875	2.9
85.02925	2.3
89.02413	3.1
101.02438	2.9
113.02399	2.2
124.07682	2.4
132.04549	17.5
133.05316	4.0
134.06123	3.6
135.04521	1.6
136.07674	14.1
145.11310	1.6
155.91020	1.4
165.04286	10.1
214.12379	2.7
215.11823	3.6
227.07753	1.8
241.09723	3.5
257.12946	22.4
283.10754	1.9
296.11642	2.9
300.02658	2.5
301.03027	3.6
301.11905	7.3
328.10406	4.7
337.07324	2.0
349.10843	3.0
420.19043	5.1
463.32635	2.4
464.08417	3.1
464.11234	2.6
464.18173	56.7
465.18311	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	464.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	35.2
60.85559	2.3
61.98829	100.0
66.39721	2.3
66.54940	2.4
68.34864	2.2
71.01374	9.1
71.51399	3.4
73.02954	3.8
75.00865	5.3
78.95897	3.5
85.02934	2.4
89.02420	3.1
99.00860	2.7
101.02433	3.8
104.13057	2.5
124.07648	4.0
132.04578	22.3
133.05353	7.9
134.06082	5.2
136.07690	15.0
153.33490	2.7
163.36972	2.4
165.04282	10.7
214.12329	4.1
215.11922	3.3
253.13412	4.2
257.12958	23.1
277.76584	2.8
281.91199	2.6
283.10892	7.7
296.11691	3.2
300.02795	2.8
301.03088	9.1
301.11856	12.5
302.04034	2.9
328.10580	4.5
348.17081	2.8
389.83804	2.5
420.19296	9.2
421.19513	2.9
421.84357	2.7
435.61414	3.0
463.32291	3.7
464.09549	5.5
464.18182	72.6
464.33102	3.1
465.18741	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	463.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.5
57.03441	0.6
59.01110	0.4
59.01383	5.1
69.03476	0.5
69.42634	1.3
69.43068	0.9
71.01373	3.5
73.02947	1.2
83.01379	0.6
85.02955	1.2
89.02441	2.3
95.16371	0.3
101.02441	3.2
102.03389	0.3
111.08161	0.8
112.49046	0.3
113.02421	1.4
119.03490	0.5
133.05067	0.6
161.04562	1.2
165.12840	7.6
166.13200	0.4
179.05612	0.5
183.13884	100.0
184.14221	6.0
202.34010	0.3
209.11839	1.3
225.44438	0.3
227.12863	10.8
228.13246	0.6
235.08217	1.1
253.09280	5.1
288.88934	0.3
302.08853	0.3
445.20615	0.8
463.21814	57.1
464.22174	6.9
470.47507	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.1
57.03460	2.1
58.00593	1.4
59.01381	100.0
60.01726	1.2
60.80744	0.7
71.01383	13.9
71.49784	0.8
71.50180	0.7
72.99312	1.4
73.02954	6.7
74.02457	0.9
75.00864	4.0
78.36710	0.7
83.01387	3.6
83.05048	0.9
85.02940	4.9
87.00927	1.8
89.02437	6.4
92.24506	0.7
99.00888	1.7
99.04560	1.2
99.08170	1.0
101.02445	12.2
101.06094	1.5
101.68839	0.7
109.02950	1.3
111.00906	1.1
113.02464	4.9
115.05161	0.8
119.03522	3.1
122.02416	0.8
125.02530	0.9
129.09212	1.6
133.01460	1.4
134.03761	0.8
141.26859	1.0
155.10782	2.8
161.04564	1.3
167.12576	0.8
186.12434	0.9
196.74600	0.7
198.33334	0.7
201.31500	0.8
214.74768	0.8
243.02998	1.3
255.02919	2.2
255.19664	1.8
257.12964	1.3
271.02432	5.9
283.18997	1.2
300.02719	6.9
301.03491	6.1
301.10806	1.0
301.20218	14.0
301.23477	0.5
346.08020	0.8
347.14810	0.8
361.18713	5.1
403.19717	4.9
433.20639	2.1
463.08691	5.9
463.25412	73.9
464.09354	0.8
464.19812	1.0
464.25754	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	463.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	4.7
61.98819	1.4
63.32989	1.0
71.50060	1.3
78.95491	1.9
78.95901	27.4
104.69258	1.3
110.98533	16.2
113.09705	2.5
123.49423	1.2
148.66679	1.2
149.00072	4.6
151.00357	1.4
167.01149	19.1
171.43390	1.2
178.99774	1.9
185.02165	4.9
194.98833	12.9
195.13887	18.5
196.14273	1.7
244.63918	1.1
255.02971	2.6
271.02448	8.3
277.21683	20.6
295.22763	100.0
296.23035	8.8
300.02643	10.8
301.03445	6.0
302.04147	1.6
463.10687	10.7
463.24576	47.5
463.29916	1.7
464.25281	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09224	0.3
55.01862	0.4
55.10391	0.3
57.03433	0.4
59.01376	8.6
64.50017	0.3
69.33002	1.7
69.33403	0.8
71.01380	6.7
72.99300	0.4
73.02951	2.2
83.01381	1.0
83.05006	0.4
85.02941	1.9
87.00841	0.5
89.02440	5.1
95.01390	0.6
97.06597	0.5
99.00883	0.6
101.02436	6.3
111.08146	0.5
113.02438	3.0
119.03480	1.1
124.55003	0.3
125.02485	0.4
143.03598	0.4
161.04539	2.3
165.12846	8.1
166.13194	0.5
179.05565	0.5
183.13887	100.0
184.14218	5.3
209.11795	2.1
222.76862	0.3
227.12863	10.2
228.13168	0.7
235.08174	1.2
253.09286	8.3
274.11716	0.4
285.99622	0.4
300.02768	1.1
301.03445	0.8
445.20633	0.8
463.08435	1.5
463.21744	55.9
464.22110	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	463.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00573	0.7
58.07728	0.5
59.01379	100.0
59.49614	0.5
60.01715	1.0
61.98832	1.1
67.48106	0.5
69.00549	0.6
71.01379	9.5
71.49833	0.7
72.99335	0.7
73.02950	1.3
75.00893	0.6
78.51750	0.5
81.03422	0.5
85.02952	2.7
87.00868	1.2
88.96325	0.5
88.99696	0.5
89.02441	11.8
91.12749	0.4
92.25323	0.4
95.01402	0.6
96.96027	0.9
99.00874	0.8
101.02442	6.2
113.02440	5.1
115.00364	1.0
119.03513	6.7
123.04482	0.6
125.02435	3.8
131.03519	0.8
133.01447	0.8
135.02962	0.6
135.04535	0.6
143.03543	1.8
149.99640	1.4
151.00377	0.8
161.04536	3.3
168.00639	3.2
169.01491	0.7
175.02432	0.5
179.05626	2.9
205.12392	2.0
327.05359	0.7
403.19724	11.1
404.20139	0.6
463.10861	6.3
463.16278	0.5
463.22247	1.1
464.11301	0.5
467.73776	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18913	1.3
52.93597	1.4
55.61305	1.5
59.01378	24.3
61.98819	4.8
69.20952	15.8
71.01395	9.8
73.02951	9.0
83.01363	4.3
85.02933	2.3
94.78913	1.5
98.20668	3.3
101.02437	4.5
113.02431	4.5
117.90399	1.7
129.18748	1.4
143.38968	1.4
151.00285	1.7
159.04535	1.5
163.81758	1.5
165.85619	1.4
169.06612	2.4
170.07297	1.6
173.06046	1.8
183.04515	2.3
183.56795	1.6
185.06107	2.0
185.09659	2.7
189.09149	4.6
197.02432	1.9
199.07645	48.8
200.08022	3.6
201.09221	2.5
211.03989	41.7
212.04686	12.9
215.10741	4.2
225.05469	1.9
227.07118	100.0
228.07472	7.6
241.08755	3.2
255.02995	3.7
259.09738	73.8
260.10074	5.7
271.02344	7.7
273.11301	5.0
300.02713	14.3
301.03497	5.6
301.10709	6.5
411.92349	1.7
463.08456	10.8
472.14548	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33453	1.1
55.01866	1.7
55.21179	1.1
57.03455	8.0
58.00594	2.0
59.01381	47.0
61.98816	4.2
62.70377	1.1
68.99808	1.3
69.03442	2.2
71.01385	22.2
71.49876	1.5
72.99304	4.2
73.02937	6.9
75.00478	2.3
75.00874	32.2
76.91628	1.3
81.03452	1.9
83.01395	2.6
83.04995	3.9
85.02950	18.0
87.00871	6.7
87.04489	1.9
89.02437	7.8
95.01366	4.8
96.96027	1.5
99.00879	8.0
99.04485	3.6
101.02453	6.0
101.06043	1.2
103.00350	2.6
109.02918	3.2
113.01710	1.9
113.02449	19.0
113.23969	1.2
115.00356	3.2
117.01923	3.4
119.03513	2.3
121.10223	1.2
129.01985	1.6
133.10233	11.8
135.04530	10.3
139.11287	5.9
145.69337	1.1
151.11292	6.5
157.01469	1.6
161.04552	3.5
165.09196	1.3
175.02438	2.2
179.03459	2.5
183.10213	1.7
193.04996	2.4
198.06688	1.6
213.11325	15.6
216.08386	1.2
226.99976	1.3
231.05003	2.4
241.07323	7.3
242.08054	3.3
249.06122	24.5
285.10068	1.4
301.03595	1.4
373.13882	4.5
403.19751	4.8
419.15656	11.4
420.08731	1.2
445.16931	2.5
463.18066	100.0
464.18448	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	463.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01692	0.8
61.98838	2.5
65.26974	0.5
65.76508	0.5
71.01382	2.2
73.02959	0.6
75.00887	1.6
75.14300	0.5
80.35081	0.5
81.80524	0.5
85.02956	1.0
89.02441	1.0
90.69527	0.5
98.20649	1.3
101.02440	1.4
113.02460	0.9
124.45190	0.5
133.01433	0.8
133.02988	1.0
135.04524	0.9
137.45035	0.6
148.01682	0.6
151.00381	1.2
178.02596	0.7
189.46178	0.5
243.02983	0.7
255.03046	2.7
271.02524	4.8
271.67850	0.6
300.02655	7.6
301.03506	4.4
347.12979	0.6
403.04752	1.7
403.27356	0.9
463.08896	6.2
463.28601	2.8
464.09415	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.161
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54084	0.7
54.30885	0.9
59.01377	11.1
69.20860	7.7
71.01373	5.3
72.18611	0.8
73.02946	6.0
83.01374	1.1
101.02427	2.7
111.00892	1.1
113.02446	2.1
121.02937	4.2
125.02419	0.9
132.05788	4.2
159.04472	2.0
160.05246	1.9
161.09705	2.2
164.04776	4.1
166.42126	0.8
169.06570	4.2
170.07320	3.7
172.05284	3.3
173.06023	1.0
174.06847	1.1
183.08098	1.6
185.06042	3.7
185.09698	9.6
186.10254	1.2
187.11258	4.9
189.09151	3.2
199.07655	6.6
200.08443	5.1
213.09102	0.8
215.10748	12.0
227.07004	1.3
229.04698	0.9
241.08879	1.1
243.10179	1.4
259.09735	100.0
260.10031	6.6
271.02460	2.4
273.11258	3.7
294.75287	0.9
300.02640	4.7
301.03549	3.3
301.10800	3.8
331.11850	3.6
463.08438	3.8
463.28458	1.6
468.70947	0.9
489.49640	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1089
Annotation	Mudanoside B
Peak:m/z	Relative Intensity
59.01389	4.0
61.98831	1.1
68.59539	0.8
69.03452	1.0
69.42443	4.6
71.01364	2.4
82.94531	0.6
83.01401	0.7
89.02411	0.9
95.01399	1.1
97.02924	0.8
99.00897	0.8
109.02912	1.3
121.02962	0.9
123.00871	8.2
124.01659	27.3
125.02453	23.7
126.02796	1.2
135.03017	0.7
137.02426	0.8
139.03996	1.8
149.02420	1.8
149.99573	38.0
151.00285	2.3
153.01935	1.3
161.02409	1.3
165.01947	2.2
167.03488	1.6
168.00629	92.4
169.01270	5.0
172.29683	0.8
177.01956	2.7
179.03485	1.8
179.88728	0.8
205.01407	0.9
276.12805	0.7
287.07623	1.0
327.05020	1.7
331.06738	4.4
343.06430	0.9
388.85532	0.9
445.09732	1.3
448.62674	0.9
463.10873	100.0
464.11081	9.7
469.30463	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1093
Annotation	Mudanoside B
Peak:m/z	Relative Intensity
57.03445	0.9
59.01376	12.6
61.98815	1.6
69.03453	2.0
69.76403	0.6
71.01381	6.1
71.49593	0.9
73.02937	2.3
75.00866	1.4
81.03445	1.0
83.01380	1.5
85.02954	1.8
89.02451	4.8
95.01379	2.0
96.96021	0.7
97.02947	2.7
99.00872	0.8
101.02428	2.4
107.01377	1.9
113.02406	1.2
116.92839	1.7
119.03477	1.1
123.00852	5.5
123.04543	0.9
124.01665	14.3
125.02444	52.0
126.02796	1.5
135.03017	3.6
135.04495	1.3
137.02432	1.6
139.00383	1.7
149.02370	1.1
149.99583	24.8
151.00369	8.8
154.02754	1.9
161.02423	1.8
161.04478	1.1
165.00322	0.8
165.01915	2.4
168.00633	50.4
169.01402	12.8
169.05013	1.2
177.01878	1.9
179.03398	0.8
179.07079	0.9
192.99588	1.8
211.24783	0.6
216.08527	0.6
233.06464	1.1
293.08521	0.7
327.05164	2.3
403.19897	1.1
445.09906	1.5
463.10876	100.0
464.11188	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	463.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	4.7
59.01379	30.2
61.98810	3.0
67.01878	1.0
69.26096	4.2
69.26521	5.2
71.01385	12.0
71.49254	0.9
71.96657	0.9
72.99281	2.7
73.02947	5.5
73.67245	0.9
75.00871	14.8
79.78483	0.9
80.96983	1.0
83.01392	1.3
83.05009	1.6
85.02940	7.8
87.00867	2.4
89.02418	3.8
95.01341	2.5
96.95991	2.2
97.06558	1.9
98.20618	1.7
99.00844	4.5
99.04501	1.8
101.02423	3.7
109.02928	2.3
113.02423	8.3
115.00320	2.5
119.03503	1.2
125.02453	2.1
133.01393	1.7
133.10191	4.5
134.02821	1.1
135.04529	5.8
137.02420	1.2
139.11310	1.5
151.11227	2.1
151.50497	1.0
161.04465	2.8
165.09233	1.2
172.08708	2.8
179.03461	1.0
198.06700	9.8
203.88751	0.9
213.11305	5.4
214.09811	2.8
215.09178	2.3
241.07297	63.5
242.07848	17.2
243.06546	1.0
243.08784	7.0
249.06139	7.6
251.43817	1.0
256.09625	2.6
257.08026	2.3
257.10364	5.9
285.09924	8.8
299.11163	2.0
300.02505	1.8
301.03357	1.2
311.11288	2.7
337.41678	1.0
353.12360	1.5
373.14038	5.8
376.13727	3.4
377.14624	5.6
401.14474	4.3
403.19504	3.6
419.15704	100.0
420.15900	9.6
445.17029	1.4
463.08429	1.9
463.17935	42.1
464.18335	4.7
483.60162	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0882
Annotation	8-Hydroxyluteolin 8-glucoside
Peak:m/z	Relative Intensity
59.01379	54.8
61.98835	15.7
63.08872	2.3
69.44540	19.8
71.01376	6.7
75.00867	8.6
85.02981	3.4
101.02402	4.4
113.02471	3.5
124.01605	2.3
133.02946	4.3
151.00363	9.9
178.99835	3.1
226.02753	2.7
243.02943	12.1
255.02969	28.7
271.02451	53.5
272.03012	5.8
300.02753	100.0
301.03448	48.4
403.04349	16.0
463.08810	66.9
463.32593	3.2
464.08618	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	463.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10085	3.1
50.50075	3.0
59.01378	21.9
61.98829	6.2
66.55762	3.2
71.01378	5.6
71.50304	5.1
74.47034	3.0
83.83414	3.3
96.95974	3.6
96.99297	7.1
106.90089	3.7
126.98798	3.5
129.01929	5.5
148.01598	5.1
157.02936	37.5
163.03978	13.7
171.04495	6.1
172.01674	39.2
173.02423	43.8
178.99799	4.2
179.03505	4.5
185.02428	26.2
187.04042	29.5
188.01042	5.0
200.01170	36.9
201.01930	100.0
202.02274	6.8
215.03496	86.6
228.04268	11.5
232.03751	40.6
247.06090	63.3
253.01357	13.4
254.01976	3.7
255.02980	10.7
259.09723	6.8
271.02460	24.9
275.03937	3.7
300.02643	34.3
301.03586	18.5
304.03574	6.0
313.05011	7.9
328.03632	6.8
329.04517	23.0
342.91739	4.2
344.06940	14.1
345.03912	7.3
351.08560	6.2
356.03253	8.5
357.04080	38.7
358.04721	6.1
358.12338	3.8
359.09204	11.2
371.05676	11.5
372.06226	8.1
373.03339	24.7
383.01965	5.2
384.02359	6.6
385.03433	26.1
387.08865	8.5
387.61475	3.8
399.05225	17.5
401.02975	38.8
402.03162	7.0
415.04495	10.4
416.05420	82.4
417.05618	9.0
431.07703	45.6
432.07919	7.2
463.09021	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.9
57.03445	1.4
59.01377	100.0
60.01712	1.1
61.98821	0.4
69.03458	0.7
71.01378	9.6
71.01781	0.5
71.50969	0.5
72.01684	0.3
72.99298	0.4
73.02947	3.4
76.19496	0.4
83.01380	2.0
85.02953	4.9
87.00868	0.7
89.02459	1.9
93.03468	0.7
95.01392	1.2
99.00890	1.5
99.04527	0.8
101.02445	5.8
101.06098	2.4
113.02444	6.1
114.62415	0.3
119.03490	0.4
125.02454	0.6
137.02440	1.2
143.03513	0.9
159.03020	0.4
161.04512	1.5
177.87849	0.3
183.13829	0.6
239.16516	0.9
257.17569	2.6
266.60669	0.4
270.01797	0.5
299.18433	0.5
401.25601	10.4
402.25787	1.1
405.55737	0.4
419.22366	1.6
419.27246	4.6
420.27469	0.7
461.06900	0.5
461.23795	11.0
461.29895	0.7
462.24316	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	463.088
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
63.02398	0.8
63.26632	0.5
65.00330	1.6
67.72087	0.4
69.24441	4.0
83.01389	1.1
91.01881	0.5
93.03477	0.6
107.01397	2.9
108.02167	1.6
109.02956	2.1
109.50249	0.5
110.17148	0.4
121.02957	2.1
124.44665	0.4
135.00870	1.0
148.01649	1.7
148.79175	0.4
151.00362	12.3
163.00360	2.7
164.01111	1.1
174.03218	0.5
178.99843	6.3
183.04413	0.5
187.04047	0.6
189.02010	0.5
190.99861	0.5
192.00594	0.9
199.03970	1.5
201.05489	0.4
203.03418	0.6
211.03932	1.0
215.03465	1.1
216.04198	0.4
219.65556	0.4
226.02660	2.2
227.03448	4.3
228.04094	0.6
229.04979	0.9
243.02962	14.6
244.03407	1.2
245.04503	1.4
254.02155	2.9
255.02954	29.5
256.03452	2.0
271.02451	70.1
272.02853	7.4
273.03915	0.9
283.02228	0.8
284.37616	0.4
299.02014	1.4
300.02713	100.0
301.03445	53.9
302.03827	3.9
312.69263	0.5
343.04974	0.6
358.03543	0.5
463.08783	78.8
464.09076	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	463.088
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55021	3.3
59.01383	59.6
60.66193	3.4
67.29198	3.5
71.01373	11.1
71.49809	5.0
73.02921	4.6
74.00713	3.4
75.00864	13.9
77.03963	5.0
77.16489	3.0
85.02921	4.0
87.00876	3.9
89.02439	14.0
96.96012	9.5
101.02447	7.4
101.70683	3.2
105.03442	5.1
109.02958	10.7
113.02435	7.9
115.28916	3.5
117.46228	3.2
121.02928	13.2
123.04475	10.1
125.02423	6.8
133.02931	12.4
135.00867	6.4
135.02989	35.8
135.04510	5.7
135.66301	3.6
137.02438	17.9
139.03986	4.3
146.72780	4.1
149.02438	51.9
150.04140	4.0
151.00340	8.0
151.03999	7.0
161.02437	52.1
161.04480	4.9
163.00368	28.2
163.04071	5.0
164.01143	6.6
165.01923	99.7
166.02284	5.2
168.00612	6.5
176.01143	20.9
177.01926	100.0
177.03407	3.2
178.02274	5.6
178.33896	3.3
190.02702	8.5
202.99718	9.9
204.00554	6.5
205.01408	17.5
218.02132	10.0
229.86696	3.8
239.07277	4.4
249.03958	4.4
283.06134	5.2
309.03973	14.1
327.01416	7.0
327.05072	92.5
328.05472	8.4
373.05527	6.9
403.19434	4.6
445.07776	5.2
463.11118	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	461.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.5
57.03448	1.3
57.35965	0.3
58.38676	0.3
59.01377	100.0
60.01718	1.1
61.98833	2.4
64.22227	0.3
65.94448	0.2
68.95610	0.3
70.91925	0.5
70.92242	0.3
71.01378	7.8
72.99311	0.4
73.02945	2.4
75.00888	0.5
83.01388	1.7
85.02950	3.6
87.00867	0.3
88.10324	0.2
89.02436	2.2
95.01363	0.5
95.46907	0.3
99.00892	0.8
99.04539	0.8
101.02440	4.6
101.06046	1.5
109.02955	0.4
113.02445	5.5
119.03532	0.8
125.02479	0.5
135.04555	0.4
143.03534	0.4
155.10797	0.5
161.04532	1.8
241.10498	0.3
242.02228	0.3
245.00945	0.3
245.10408	1.2
255.03015	0.3
257.21344	0.7
270.01700	0.3
271.02625	0.4
299.05670	0.7
332.03046	0.4
401.25436	6.7
402.26013	0.8
419.26584	4.7
420.27173	0.6
461.28592	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.5
59.01376	90.8
61.98825	40.7
69.03456	27.3
71.01392	16.3
71.19139	2.2
71.51164	2.7
73.02939	9.8
79.01891	20.5
80.88279	2.4
83.01379	4.4
85.02946	8.6
89.02431	6.7
95.01379	5.6
97.02949	16.7
101.02436	9.0
101.44487	2.6
107.01383	42.2
113.02419	5.5
115.00399	3.8
116.06008	2.3
119.03470	2.5
121.02945	7.1
123.00868	7.8
125.02444	30.7
128.03561	2.5
140.81432	2.7
151.00354	59.7
242.05835	100.0
243.06215	4.2
257.08163	78.8
258.08524	5.2
270.01733	2.4
272.54123	2.6
299.05435	4.1
299.18564	3.7
301.05469	3.0
375.20059	3.7
401.25354	3.2
417.21265	20.4
461.06927	5.4
461.23837	9.3
461.31192	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	461.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62674	1.6
54.78295	1.8
59.01363	4.7
61.98826	4.8
71.49969	2.6
78.95901	35.4
91.24059	1.5
96.96000	2.0
110.98528	21.3
167.01141	28.3
171.10226	2.7
185.02223	7.1
195.13879	13.1
223.13319	10.5
228.13672	2.4
256.13174	2.3
275.20197	6.5
293.21240	100.0
294.21652	7.7
316.68216	1.6
425.97894	1.8
461.23074	64.3
462.23389	7.3
473.94876	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	461.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.9
57.03445	1.4
59.01377	100.0
60.01712	1.1
61.98821	0.4
69.03458	0.7
71.01378	9.6
71.01781	0.5
71.50969	0.5
72.01684	0.3
72.99298	0.4
73.02947	3.4
76.19496	0.4
83.01380	2.0
85.02953	4.9
87.00868	0.7
89.02459	1.9
93.03468	0.7
95.01392	1.2
99.00890	1.5
99.04527	0.8
101.02445	5.8
101.06098	2.4
113.02444	6.1
114.62415	0.3
119.03490	0.4
125.02454	0.6
137.02440	1.2
143.03513	0.9
159.03020	0.4
161.04512	1.5
177.87849	0.3
183.13829	0.6
239.16516	0.9
257.17569	2.6
266.60669	0.4
270.01797	0.5
299.18433	0.5
401.25601	10.4
402.25787	1.1
405.55737	0.4
419.22366	1.6
419.27246	4.6
420.27469	0.7
461.06900	0.5
461.23795	11.0
461.29895	0.7
462.24316	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91017	0.2
59.01373	1.4
61.98827	0.3
65.03960	0.5
69.23770	0.3
69.24178	1.3
71.01405	0.3
82.12343	0.1
93.03458	35.8
94.03782	1.0
107.45679	0.2
114.80777	0.2
121.49904	0.1
137.02446	100.0
138.02780	3.6
145.63152	0.2
150.71640	0.1
152.94525	0.2
197.89859	0.2
218.82695	0.2
271.02451	0.2
461.07382	0.2
461.28879	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45135	0.5
59.01379	100.0
60.01719	1.0
61.01818	0.6
63.43374	0.5
71.01385	3.3
71.49693	0.5
71.50158	0.6
73.02955	2.0
76.76009	0.5
85.02960	0.8
87.00871	0.6
89.02457	1.4
99.04489	0.6
101.02472	1.5
110.11428	0.5
113.02455	1.1
115.00418	1.0
133.01471	1.9
155.13687	0.6
161.04585	0.7
170.55267	0.6
171.72437	0.5
193.05017	0.6
288.67117	0.6
301.10843	0.7
314.12604	0.6
461.10760	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04875	2.6
57.03440	8.2
59.01377	100.0
61.98821	6.1
68.99815	3.3
71.01382	45.5
71.49415	2.7
71.49831	2.7
72.99290	4.6
73.02960	12.5
73.05077	3.0
81.03446	3.3
83.01393	7.5
85.02956	22.0
87.00884	5.8
89.02446	19.8
93.03455	17.2
95.01391	3.4
96.95970	2.9
97.02968	3.7
97.06622	3.3
99.00871	4.2
99.04508	3.9
101.02448	35.1
109.02937	4.1
110.21038	2.6
113.02457	21.5
115.00368	6.5
119.03493	8.3
119.05010	4.6
121.06600	7.2
123.04538	12.0
125.02444	3.2
125.06071	3.0
128.03519	4.8
131.03508	5.4
133.01437	8.0
135.04501	20.3
136.04820	9.2
137.02448	28.6
137.05046	3.4
138.05626	19.6
138.06590	3.6
143.03531	3.1
144.05830	3.7
146.06032	2.6
147.04453	2.8
149.09711	11.1
149.43077	2.3
151.07632	4.2
153.05588	7.8
153.09227	6.5
154.05925	3.5
159.08110	6.5
161.04544	11.6
165.09177	13.3
167.03476	12.6
175.04022	4.4
177.09206	41.2
178.09474	2.6
179.03470	12.4
179.05603	3.5
180.03900	5.7
181.04010	5.1
191.10812	3.3
203.10725	6.0
209.04558	11.2
219.10252	3.7
220.11008	8.1
221.11823	37.3
223.13470	3.9
237.11322	2.9
239.05573	15.0
239.12833	22.3
247.08263	4.3
255.10240	8.0
256.10574	5.5
257.10913	7.7
269.10446	4.2
281.13910	3.0
285.97449	2.6
301.10654	2.8
345.05923	5.8
383.17111	5.8
401.14291	13.2
401.18750	24.7
461.20071	9.0
466.18152	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	460.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.9
57.34391	0.7
59.01377	7.5
71.01389	6.4
71.49597	1.1
72.00910	25.1
72.99310	1.7
73.02944	1.2
74.02467	20.1
75.00866	0.9
77.71490	0.7
89.02435	7.5
99.43243	0.8
101.02448	5.3
113.02423	1.7
115.00350	1.8
116.07211	1.0
117.00803	0.8
117.01926	1.4
118.05105	100.0
119.03499	61.3
119.05389	2.4
135.04501	1.0
179.05626	2.3
256.10623	0.9
280.46942	0.8
298.46634	0.7
341.10922	13.7
342.11331	1.1
343.11414	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	460.219
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14754	0.7
59.01384	32.4
60.01715	2.8
61.98835	100.0
71.01392	4.3
71.50522	1.1
73.02946	1.3
79.93050	0.7
83.50384	0.8
85.02976	1.2
89.02469	1.5
101.02451	1.9
107.01397	1.1
113.02455	1.9
125.02489	1.0
126.44666	0.8
151.00388	1.5
161.04547	0.9
169.50491	0.7
242.05719	2.9
257.08231	1.5
269.94019	0.8
354.21713	0.8
400.23947	1.6
417.21292	1.9
418.25052	0.9
460.29770	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1089
Annotation	6-C-Methylkaempferol 3-glucoside
Peak:m/z	Relative Intensity
57.03439	0.4
59.01378	8.0
61.98833	0.5
64.14098	0.2
65.00323	13.2
69.17506	0.6
69.17915	2.4
71.01385	1.4
73.02955	0.5
83.01404	0.4
85.02994	0.3
89.00317	3.3
89.03965	0.6
91.01891	2.9
93.03448	0.4
97.02949	10.5
99.00957	0.3
101.02452	0.5
113.02415	0.4
121.02946	4.2
125.02484	0.3
133.02950	3.7
139.04007	0.4
149.99570	4.7
156.66634	0.2
165.01923	47.3
166.02267	2.3
173.02512	0.3
196.05272	0.4
198.03113	0.3
199.04013	0.7
201.01926	1.1
212.04764	2.7
213.05424	0.6
214.02724	1.3
223.03990	0.5
228.04472	0.3
229.05013	3.2
231.06628	0.7
239.03485	0.3
240.04236	1.8
242.05995	0.3
243.06804	0.4
255.03008	0.8
255.06618	1.2
256.03638	2.0
257.04538	0.6
257.08243	0.4
257.17493	0.4
266.02112	0.4
271.06113	2.9
283.02512	3.0
284.03220	5.0
285.03546	0.5
299.05582	100.0
300.05933	8.3
401.21625	0.3
461.06708	0.2
461.23672	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	459.2904
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
50.34754	0.2
67.51938	0.2
69.32468	0.2
98.19839	0.3
106.04305	0.2
107.05023	29.2
108.05350	0.9
116.92868	0.4
123.04523	0.3
147.08212	0.6
163.11278	100.0
164.11598	5.1
166.63651	0.2
238.10017	0.6
277.45047	0.2
280.14777	0.3
283.17017	26.4
284.17343	2.1
295.17007	14.5
296.17346	1.6
339.77295	0.2
352.44080	0.2
459.29019	84.9
460.29337	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	459.296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03342	4.2
59.01369	13.1
69.44601	11.2
69.45017	15.1
71.01353	3.9
71.26193	3.8
77.04692	3.7
79.31411	3.3
82.21321	3.5
89.02454	10.6
101.02472	4.6
116.92845	8.2
119.03558	4.1
167.74629	3.3
179.05630	8.5
184.76416	4.5
199.79782	4.8
279.23264	100.0
280.23660	9.4
295.50531	4.7
383.26953	4.6
459.26089	4.8
460.22473	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	459.26
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18169	0.4
54.63516	0.4
55.01874	0.5
57.03434	0.7
58.00613	0.4
59.01378	100.0
60.01722	0.9
60.95148	0.5
61.98826	1.3
69.39325	0.8
69.39726	2.2
70.08087	0.4
71.01379	12.0
71.61594	0.4
72.99346	0.4
73.02946	5.3
82.67286	0.4
83.01395	1.9
83.91428	0.4
85.02950	4.5
87.00896	0.8
87.04507	0.7
88.05103	0.5
89.02441	5.8
89.02932	0.5
90.01139	0.4
95.01407	1.3
99.00907	1.3
101.02444	7.7
111.00917	0.4
113.02449	7.5
119.03490	2.1
143.03513	0.6
151.71422	0.4
159.03043	0.6
161.04547	2.5
179.05569	0.8
254.58780	0.4
399.23886	6.6
399.28613	0.5
400.24197	0.6
417.25214	5.3
418.25577	0.6
459.22720	3.3
459.29568	1.1
460.22617	0.6
464.78033	0.5
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
54.29816	0.6
57.03444	0.7
59.01378	100.0
60.01705	1.3
61.98834	5.6
69.41136	4.8
71.01373	8.3
73.02943	3.0
73.98100	0.5
83.01389	1.2
85.02940	4.3
87.00887	0.7
89.02449	3.2
99.00878	1.0
101.02446	5.7
105.18307	0.6
108.84652	0.6
113.02451	3.1
116.68739	0.6
119.03498	1.4
121.02964	0.9
131.74907	0.7
133.01369	0.7
149.09724	1.2
161.04576	6.0
179.60832	0.6
223.13411	1.8
308.33130	0.7
386.75980	0.6
399.23868	9.1
400.24490	1.0
401.08859	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43374	0.4
57.03449	0.8
58.34865	0.3
59.01375	100.0
59.11767	0.4
59.77459	0.4
60.01717	1.1
61.98827	0.7
63.84723	0.4
70.31615	1.4
71.01377	8.2
71.05045	0.4
72.99325	0.6
73.02942	3.7
75.00849	0.5
83.01407	1.3
85.02940	3.8
87.00886	0.6
89.02441	3.6
95.01404	1.0
97.82407	0.4
98.19977	0.5
101.02441	7.5
109.03033	0.6
109.87964	0.4
112.06033	0.4
113.02434	5.5
119.03515	1.3
124.66716	0.4
133.01418	0.8
143.03534	0.8
149.04686	0.4
153.01929	0.5
161.04579	1.5
175.14992	0.6
202.97221	0.4
211.98384	0.4
237.15106	0.9
241.60887	0.4
368.40646	0.4
399.20197	1.3
399.24078	1.8
417.20670	0.7
417.25229	1.4
459.22165	7.0
460.22894	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.5
57.03445	1.6
59.01377	100.0
60.01725	1.3
61.01794	1.0
61.98832	1.6
69.03454	0.5
71.01379	16.6
71.05029	1.7
71.50083	0.6
72.99300	1.1
73.02943	12.3
73.29008	0.4
75.00874	0.5
83.01367	3.6
85.02948	6.2
87.00862	2.2
89.02449	5.0
95.01376	1.2
97.02937	1.1
99.00865	1.2
101.02438	14.4
113.02457	5.4
119.03498	1.4
125.02457	0.6
135.04556	0.5
143.03513	0.9
149.04437	0.5
161.04565	3.0
181.12378	0.6
195.13786	0.4
211.33888	0.6
219.13860	0.5
237.14966	2.5
238.14830	0.4
251.76280	0.4
255.15994	1.2
264.15625	0.4
399.19733	4.3
407.25372	0.5
417.21140	8.5
418.21545	0.8
441.21216	2.0
459.22314	64.0
460.22668	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58214	0.4
59.01378	100.0
60.01711	1.6
69.03469	0.9
69.37447	2.8
71.01379	7.0
72.99326	0.7
73.02952	2.1
85.02965	1.5
89.02467	2.6
93.03470	0.7
98.19836	0.8
101.02445	3.4
109.02950	1.2
113.02466	1.9
115.00372	8.5
119.03519	1.1
119.05038	1.7
121.02943	4.0
123.04544	2.1
133.01424	16.1
133.06593	3.1
135.04530	3.4
148.05388	0.8
159.04552	0.6
161.02499	0.9
161.04572	1.1
163.04051	0.8
177.05638	0.4
177.09210	0.6
179.03535	1.8
185.00926	0.7
195.10155	0.6
221.04474	0.8
237.11485	0.5
247.10638	0.4
255.10248	8.3
256.10547	1.1
267.24551	0.5
281.08267	1.9
299.09198	2.7
325.07202	0.8
339.14557	1.1
343.08167	4.6
357.15506	0.7
399.16464	2.7
417.21210	0.6
459.22675	1.0
460.98309	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.3
57.03447	2.7
58.00585	1.0
59.01378	100.0
60.01704	1.1
61.98839	1.6
69.03465	0.7
69.20995	0.5
69.21329	4.6
71.01379	24.4
71.05033	1.2
72.99313	1.8
73.02943	24.8
73.82954	0.6
75.00874	1.0
78.45182	0.5
81.03481	0.5
83.01383	7.6
83.05030	0.7
85.02950	5.9
87.00882	1.7
89.02439	8.6
89.76144	0.5
95.01405	1.4
97.02948	1.0
98.20671	1.2
99.00882	1.2
99.04571	0.9
101.02441	51.6
102.02802	1.1
111.00883	0.5
113.02448	8.6
115.05193	0.9
116.92847	0.6
119.03504	2.8
125.02430	0.9
130.08762	2.3
131.03513	1.3
131.09167	1.0
133.01492	0.7
135.04535	0.6
135.11833	0.8
143.03513	2.1
149.04619	0.7
155.03497	0.5
161.04549	3.3
164.15273	0.5
174.01709	0.5
175.14880	8.5
183.34511	0.5
201.12357	0.9
219.13976	1.4
237.14908	2.7
238.93794	0.5
255.16222	1.0
255.19322	0.6
280.57968	0.5
399.20047	2.2
399.24548	2.3
414.24384	1.4
415.24756	5.6
417.20807	6.3
417.25958	0.9
441.21320	5.5
442.21460	0.7
459.22363	53.1
459.27444	2.0
460.22672	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	459.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45644	0.3
57.03454	0.4
59.01384	100.0
60.01719	1.4
61.98854	0.7
69.03459	0.4
71.01385	4.7
72.99326	1.0
73.02968	1.0
79.74561	0.3
83.01398	0.3
85.02969	1.0
89.02458	0.9
98.19958	1.0
101.02467	1.7
113.02471	1.4
114.40695	0.3
115.00391	5.1
119.05053	3.1
133.01434	8.0
135.04524	6.2
149.06100	0.4
161.02458	1.8
161.04597	1.5
163.04062	1.3
165.09268	1.2
179.03506	5.1
255.10272	0.7
299.09189	2.2
325.07431	0.4
339.14587	0.9
343.08264	4.4
344.08469	0.4
357.15872	0.8
399.16699	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	10.0
60.29559	1.3
61.98812	2.7
66.44864	1.2
70.68826	3.1
71.01369	8.2
72.99289	1.8
73.02940	47.9
74.03288	1.5
85.02934	1.4
89.02451	7.5
95.61761	1.2
99.00856	4.2
101.02421	2.3
110.38850	1.0
113.02419	1.9
115.00361	2.4
116.92852	13.7
117.01937	100.0
117.92823	1.0
118.02257	2.9
118.05077	2.8
119.03512	2.0
133.01442	1.9
135.04523	3.3
168.07532	1.4
179.03488	3.5
179.05609	4.3
233.01508	2.6
255.10228	1.8
258.99387	1.3
329.03595	1.9
341.10846	8.8
373.02432	1.6
399.00543	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.8
68.19801	0.2
69.55347	1.2
69.55756	0.4
71.01389	0.6
74.54095	0.3
101.02408	0.3
108.02170	25.2
109.02445	0.6
115.00359	0.9
123.04523	12.0
125.99796	0.3
133.01428	1.3
135.04485	0.6
152.01146	58.8
153.01491	2.0
153.05547	1.2
160.22438	0.3
167.03487	100.0
168.03836	4.4
179.03506	0.5
255.10098	0.4
456.88037	0.3
459.14880	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	9.3
59.01376	3.6
66.67973	0.3
68.48192	0.3
69.55652	1.5
71.01385	2.3
73.02952	0.3
79.34007	0.2
85.02905	0.4
89.02430	0.7
93.03468	0.6
98.19891	0.4
99.04501	0.5
101.02457	2.1
108.02183	2.2
109.02956	3.0
115.00378	3.2
119.05005	0.4
121.02962	0.6
121.91767	0.2
122.03745	0.9
123.04520	55.6
124.04864	1.9
125.02469	0.4
133.01418	3.7
133.02939	0.4
133.06592	0.6
135.04518	3.7
152.01163	2.2
153.05569	100.0
154.05891	3.9
161.06157	0.3
167.03487	4.7
175.03975	1.1
179.03482	0.8
195.06619	0.3
226.06331	1.3
227.07144	1.4
230.64545	0.3
239.07162	0.4
253.08675	0.5
255.07442	0.5
255.10251	8.7
256.10602	0.9
261.07645	1.5
281.08026	0.6
297.06897	0.3
297.09802	1.1
299.08841	1.1
315.10834	16.0
316.11069	1.4
343.08157	5.0
344.08368	0.5
357.11871	4.4
358.12122	0.5
397.15207	0.8
402.08444	0.3
425.20416	0.3
459.09195	0.5
459.15195	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	6.2
61.50276	0.6
61.98831	0.9
69.91475	0.7
71.01380	3.5
71.50024	0.9
79.30669	0.6
87.00879	1.1
89.02450	4.2
101.02418	1.0
113.02519	1.1
119.03476	0.9
125.02462	0.6
129.74449	0.6
131.03540	0.6
152.50954	0.6
161.04572	1.4
179.05655	3.7
189.09898	0.8
277.21716	29.3
278.22073	4.0
312.92334	0.6
409.33746	1.4
456.35608	10.8
456.41556	0.9
457.35956	100.0
458.36435	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	458.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52704	0.8
56.82170	0.7
59.01381	5.2
59.44847	0.8
61.98829	100.0
70.71402	2.0
72.18661	0.9
73.87907	0.8
101.02451	0.9
133.01408	1.0
135.04475	0.9
306.41287	0.9
459.21945	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	459.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12341	3.9
57.34816	3.7
59.01381	66.8
70.41895	3.9
70.97336	10.5
71.01381	45.2
72.48301	4.5
73.02947	64.2
85.02959	6.8
89.02441	69.2
101.02430	17.0
108.19881	4.6
113.02437	17.6
115.07008	4.7
116.92831	4.4
117.01934	37.9
118.05083	5.9
119.03527	30.9
158.54582	4.4
160.82904	3.8
161.04561	9.0
164.01335	4.6
179.04007	5.5
179.05597	42.9
221.35374	3.9
224.06967	4.5
263.00064	4.5
341.10886	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	457.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.8
57.03445	0.5
58.02981	3.6
58.49222	0.4
59.01377	52.2
60.01722	0.9
61.98839	0.4
69.37913	3.0
71.01377	9.0
71.02515	0.5
71.05001	1.0
73.02944	6.2
73.04066	7.8
74.02473	0.5
75.00861	0.6
80.97444	0.4
82.94040	0.4
83.01396	1.6
85.02943	3.0
87.00877	1.1
87.05658	1.4
88.04037	1.0
89.02446	2.9
89.64674	0.4
90.00459	0.4
95.01395	0.5
96.04539	0.4
97.04045	2.4
98.02483	4.3
99.00856	0.5
99.04538	0.5
101.02445	7.1
109.02909	0.6
111.09549	0.4
113.02422	3.0
114.09203	0.5
115.00343	0.8
115.05129	21.2
116.03562	0.6
116.05494	0.7
119.03493	1.5
121.06603	0.4
122.09751	0.6
126.09284	0.4
127.05200	0.8
129.10352	4.7
130.08734	58.1
130.96007	0.5
131.09068	1.8
133.01474	0.4
135.04506	1.6
137.06120	0.7
139.08783	0.6
140.07196	0.8
140.10814	1.9
141.10423	0.9
143.03513	0.5
143.11884	1.6
151.08760	1.2
152.03560	0.7
152.07103	1.0
153.05412	1.0
153.10355	0.9
155.11911	1.5
157.13452	23.0
158.13835	0.7
161.04567	1.3
166.08759	1.1
167.11847	0.6
168.11440	3.0
169.09775	1.1
173.13339	2.6
179.03503	1.2
179.11906	0.9
181.05043	0.5
182.12965	0.5
183.11394	2.9
185.12814	0.5
186.12505	1.3
196.14536	0.4
199.18172	1.1
199.68590	0.4
201.12453	8.6
209.12057	0.4
210.12450	4.6
211.10930	0.5
214.15475	0.6
214.18829	0.4
228.13506	1.8
229.11821	0.5
235.13411	2.7
238.15547	1.8
250.51978	0.4
253.14468	1.5
256.16608	0.5
256.20166	0.5
270.21851	19.6
271.22214	1.5
282.14447	0.7
292.20367	0.5
314.20895	1.9
327.24017	6.3
369.24924	1.0
371.22818	0.6
385.11276	0.5
397.22507	1.2
413.24014	100.0
414.19229	0.9
414.24377	10.5
415.15573	0.8
415.23752	0.6
439.25418	1.5
457.20670	3.9
457.26648	11.8
458.20773	1.0
458.26892	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	457.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.9
57.03447	1.7
59.01379	100.0
60.01719	1.2
61.98838	0.8
69.27185	4.2
71.01382	11.7
71.63525	0.5
73.02959	3.5
74.22987	0.6
83.01397	2.1
85.02944	3.6
87.00890	1.1
89.02418	2.9
95.01386	1.3
97.02940	0.8
99.00898	1.8
101.02435	8.5
113.02449	5.1
113.48882	0.6
114.33984	0.5
115.00397	1.2
116.44845	0.5
119.03510	0.7
123.04547	0.7
133.01465	1.6
135.04549	1.0
143.03520	1.2
159.03059	0.9
161.04546	8.8
163.94522	0.5
179.03600	1.1
179.05643	1.0
191.05634	0.6
253.18140	3.0
268.06647	0.5
290.04196	0.6
310.18500	0.6
397.22333	9.5
398.22610	0.6
400.16904	0.5
415.23062	3.2
457.24048	1.3
479.26752	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.0
59.01378	100.0
60.01720	0.6
70.26450	1.7
71.01384	9.2
73.02943	3.9
83.01392	1.6
85.02943	4.9
87.00856	0.5
89.02464	1.4
95.01415	0.7
99.00886	1.2
101.02448	8.6
113.02450	3.2
114.08681	0.5
125.02449	0.4
129.87662	0.4
143.03477	0.9
159.02954	0.9
161.04552	10.0
192.70998	0.4
223.15141	0.5
397.22284	11.8
398.22766	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20049	0.3
53.55341	0.4
55.01889	1.0
57.03448	1.0
58.00603	0.7
59.01382	100.0
60.01715	1.4
61.06107	0.4
69.03465	0.7
69.16035	3.2
69.16443	1.0
71.01386	16.4
72.99328	1.0
73.02948	11.3
73.03362	0.6
78.99064	0.5
83.01389	4.3
85.02948	4.4
87.00887	1.2
89.02444	9.1
95.01401	1.1
97.03002	0.5
99.00888	1.2
101.02446	16.0
109.02988	0.4
111.00926	0.4
113.02454	8.3
115.00394	0.5
118.96435	0.4
119.03487	4.3
125.02457	0.9
131.03554	0.7
133.01488	0.5
135.04483	0.4
143.03543	2.3
149.04605	1.2
155.03546	0.4
159.03087	0.6
161.04581	4.7
177.70380	0.4
179.05615	2.1
204.98567	0.4
208.95000	0.4
253.18181	1.8
264.91278	0.5
295.19196	1.1
341.06665	0.5
371.20984	0.7
397.22372	6.4
398.23062	0.6
415.23410	7.6
415.28513	0.5
416.23917	0.6
457.21027	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	457.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33019	0.5
59.01364	1.6
69.19075	2.5
69.19494	2.7
71.01378	34.0
72.01693	0.8
89.02443	1.7
96.21833	0.6
101.02412	0.7
109.57248	0.6
115.00368	100.0
116.00708	1.9
119.03522	0.6
167.75005	0.6
170.64148	0.8
179.05673	1.1
328.43799	0.7
341.10852	4.4
341.78552	0.6
455.66940	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17282	0.6
59.01380	9.2
68.99570	0.9
70.97134	0.7
71.01382	39.3
71.48847	1.1
72.69001	0.7
72.99300	1.6
85.02951	1.6
87.00888	1.1
88.33075	0.7
89.02447	10.2
93.39251	0.7
101.02436	4.1
112.51283	0.6
112.98740	1.4
113.02430	3.0
115.00375	100.0
116.00699	2.6
116.07184	5.2
119.03517	3.7
133.01434	11.1
135.03497	1.4
135.04526	24.0
136.04810	1.0
154.01358	0.7
161.02487	1.0
179.03490	26.9
179.05579	3.3
180.03879	1.6
190.10443	0.7
191.05664	0.8
262.01572	0.7
312.55069	0.7
341.08615	6.2
341.10870	15.2
342.09097	1.3
344.80038	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.5
61.98845	0.7
109.70664	0.7
116.10838	0.7
117.03484	1.5
123.04482	1.1
130.04239	2.7
133.02983	4.6
161.02435	100.0
162.02756	3.4
173.02464	1.6
174.03209	26.0
177.02731	0.6
184.10869	0.8
187.04254	0.9
206.02197	21.2
214.06369	0.9
227.07076	3.7
229.08678	99.8
229.30304	0.8
230.08974	6.7
295.13364	1.3
368.85284	0.7
457.16531	55.3
458.16852	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	457.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.7
57.03449	1.8
57.87017	0.6
59.01379	100.0
59.62779	0.8
60.01722	0.9
69.03458	0.7
71.01382	22.0
71.49860	1.2
72.99355	0.9
73.02944	24.6
83.01379	6.7
83.05034	0.9
85.02946	4.5
87.00906	1.1
89.02454	6.8
97.02912	0.7
101.02442	25.9
108.16901	0.6
111.74026	0.6
113.02454	8.8
119.03517	2.6
125.02422	0.8
131.03549	1.7
135.04544	2.1
143.03561	1.4
147.11841	1.5
149.04521	1.2
150.03250	2.9
155.03526	0.7
161.04514	5.4
165.05568	3.6
173.13304	4.8
179.03474	1.0
191.05501	0.7
191.14503	1.1
235.13419	4.5
249.96066	0.6
253.14586	0.7
254.80742	0.7
278.86923	0.8
293.04617	1.0
320.90976	0.7
397.22565	2.2
415.23798	1.0
457.11313	1.0
457.20645	10.0
458.21347	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	457.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.4
61.78030	0.3
70.07663	1.3
70.08073	0.7
71.01381	5.4
89.02441	0.4
107.05016	0.8
115.00373	7.4
121.18560	0.4
123.78241	0.3
133.01428	13.1
133.02954	0.7
134.03732	1.9
135.04523	80.5
136.04825	3.3
161.02414	1.1
178.02798	0.6
179.03491	100.0
180.03838	4.7
215.06148	0.4
323.07632	0.5
332.20020	0.4
341.08749	48.5
342.09052	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	457.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09293	0.5
71.01380	21.5
72.99309	2.9
87.00877	0.7
89.02432	1.7
109.02959	2.0
110.34534	0.6
112.56261	0.6
115.00369	54.7
116.00733	1.1
133.01427	100.0
134.01772	2.0
134.03732	1.3
135.04518	69.9
136.04866	2.3
143.04964	0.9
145.02969	1.6
147.04498	0.6
158.03807	0.8
161.02441	9.3
162.02788	0.9
170.98141	0.7
175.03931	0.7
179.03490	90.1
180.03804	5.1
255.06630	1.1
261.20935	0.6
281.04373	0.9
295.06076	1.4
297.07581	1.6
323.07751	4.3
341.08813	63.2
342.09152	5.6
351.15866	0.6
457.09174	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17282	0.6
59.01380	9.2
68.99570	0.9
70.97134	0.7
71.01382	39.3
71.48847	1.1
72.69001	0.7
72.99300	1.6
85.02951	1.6
87.00888	1.1
88.33075	0.7
89.02447	10.2
93.39251	0.7
101.02436	4.1
112.51283	0.6
112.98740	1.4
113.02430	3.0
115.00375	100.0
116.00699	2.6
116.07184	5.2
119.03517	3.7
133.01434	11.1
135.03497	1.4
135.04526	24.0
136.04810	1.0
154.01358	0.7
161.02487	1.0
179.03490	26.9
179.05579	3.3
180.03879	1.6
190.10443	0.7
191.05664	0.8
262.01572	0.7
312.55069	0.7
341.08615	6.2
341.10870	15.2
342.09097	1.3
344.80038	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	5.8
79.96149	0.4
91.04517	0.4
107.05025	0.8
115.00374	5.0
119.42977	0.4
133.01440	2.4
134.03766	2.1
135.04521	76.5
136.04860	2.5
136.83954	0.4
179.03491	100.0
180.03816	5.6
306.40643	0.4
341.04904	0.9
341.08759	9.5
342.09149	0.6
343.87863	0.4
395.32632	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45589	0.4
67.44312	0.4
68.61308	0.4
69.85166	2.2
71.01382	8.8
78.44148	0.4
93.03433	0.4
107.05035	1.0
109.80598	0.4
114.12456	0.4
115.00378	8.9
123.44730	0.4
130.36427	0.6
133.01462	2.3
134.03728	2.0
135.04526	100.0
136.04846	4.3
161.02477	0.9
179.03496	98.6
180.03833	4.5
196.68069	0.4
196.94469	0.4
341.08746	40.2
342.09085	3.3
376.76984	0.5
457.09790	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	457.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35989	0.6
59.01396	1.2
70.55771	1.9
70.56128	1.0
70.70957	1.0
71.01379	25.5
89.02446	1.5
89.36050	0.9
115.00367	67.5
115.04014	1.0
116.00737	1.4
116.07197	0.7
119.03402	0.9
133.01427	8.1
134.03725	2.3
135.04520	83.9
136.04875	3.5
146.12444	0.8
157.51193	0.7
179.03485	100.0
180.03833	3.7
283.63492	0.9
341.08609	29.4
342.09030	2.8
409.25497	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38888	0.3
70.80311	0.7
116.88850	0.3
122.28359	0.3
127.39342	0.3
160.77737	0.4
174.69223	0.3
393.00122	0.3
407.33264	0.9
454.65353	0.4
455.35269	100.0
456.35620	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	457.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02790	0.8
59.01378	2.0
61.98834	1.0
65.23441	1.0
67.94272	0.8
70.84442	1.2
70.84770	2.1
71.01385	19.0
98.42120	0.9
103.73306	1.0
109.02950	19.4
115.00377	21.6
119.05058	2.3
121.02953	5.9
123.04435	1.2
129.03426	1.4
133.01450	7.8
133.02975	2.9
135.04530	34.9
136.04857	1.5
145.02969	13.3
146.03598	1.2
147.04526	27.5
157.02937	2.3
158.03725	3.1
159.04561	2.3
160.01662	1.2
161.02457	9.0
161.06076	7.8
164.36964	0.9
173.02438	1.0
174.03183	8.4
175.04005	51.4
176.04375	2.9
178.31543	0.9
187.04036	2.9
210.75438	0.9
225.05611	1.3
227.07037	2.0
237.05573	2.9
238.06105	1.5
239.03488	2.0
240.04196	2.4
251.07349	1.1
253.08755	4.4
254.05707	1.9
255.06619	59.5
256.06967	4.2
268.07379	1.1
269.08206	0.9
279.06650	1.6
281.04486	1.0
295.02710	2.3
295.06113	83.1
296.06445	8.2
297.07672	100.0
298.08035	9.2
341.06580	4.1
406.62747	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.0
62.66887	1.0
71.01378	21.9
88.52595	1.1
93.03458	2.0
98.20638	3.6
108.02209	1.5
109.02959	28.2
115.00374	23.5
119.05012	1.9
121.02941	6.5
129.03522	1.8
133.01421	12.9
133.02988	3.0
135.04518	32.9
145.02948	15.8
146.03735	1.3
147.04520	29.8
157.02945	2.6
158.03748	2.9
159.04478	3.2
160.01651	1.6
160.92369	1.1
161.02446	10.7
161.06041	8.9
164.90909	1.2
173.02415	2.3
174.03189	6.9
175.04004	54.6
176.04303	2.7
179.03551	1.9
187.03946	3.0
227.07347	1.8
236.09248	1.1
237.05560	3.3
238.06305	3.1
239.03482	2.8
240.04285	3.9
251.07172	2.0
253.05045	2.9
253.08632	3.6
254.05840	2.1
255.06612	60.2
256.06958	4.9
269.08087	1.8
279.06543	2.9
281.04453	6.5
282.05402	2.1
295.06097	76.7
296.06406	8.7
297.07678	100.0
298.08017	10.1
314.36279	1.3
341.06668	17.7
410.33487	1.3
420.41550	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	455.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.2
57.03444	1.7
58.71144	0.5
59.01379	100.0
60.01725	0.9
61.98824	1.0
63.52188	0.3
65.98553	0.4
69.03453	0.4
69.25362	0.7
69.25757	3.2
71.01382	16.1
72.99314	0.5
73.02942	6.0
75.00912	0.5
83.01386	3.0
83.05062	0.4
85.02956	7.9
86.03297	0.5
87.00897	0.8
89.02445	4.6
94.68481	0.4
95.01414	1.4
97.03018	0.6
98.20673	0.8
99.00893	1.8
99.04544	0.4
101.02441	10.8
113.02445	6.0
117.82874	0.4
119.03501	2.3
131.03506	0.5
135.04575	0.9
135.08191	0.5
137.09750	0.9
138.11615	0.4
143.03506	1.2
147.04550	0.4
149.92815	0.4
159.02972	0.6
161.02600	0.4
161.04546	4.2
171.16457	0.4
171.75319	0.4
179.03574	0.7
185.02635	0.4
209.17238	0.4
215.55232	0.4
243.06657	0.6
251.16620	2.7
269.08093	0.4
395.20737	8.2
395.25433	0.5
396.21417	0.9
413.21802	17.4
414.22034	1.9
455.15854	2.9
455.22952	2.1
461.63300	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2647
Annotation	Dendronpholide L
Peak:m/z	Relative Intensity
55.01874	1.5
57.03440	2.2
58.00582	2.5
58.97754	0.9
59.01379	46.9
61.98816	2.6
67.45486	0.9
68.79966	0.9
68.99551	2.0
69.70215	1.0
70.62608	1.9
70.62976	2.0
71.01377	27.8
72.99310	2.3
73.02940	1.4
75.95106	0.8
83.01373	2.7
85.02951	6.5
85.53901	1.0
89.02441	27.6
95.01381	2.8
100.38711	0.9
101.02445	14.2
113.02423	9.7
115.87881	0.9
119.03492	9.4
121.02941	1.2
125.02452	8.3
139.04001	2.8
143.03429	1.4
193.08699	2.9
201.01921	3.4
223.13428	1.3
275.20142	6.6
293.21194	24.4
294.21625	2.3
383.12869	1.0
455.26474	100.0
456.26855	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16537	0.2
54.63554	0.2
54.96749	0.2
59.01362	0.3
61.43234	0.2
70.81462	0.5
105.52774	0.2
152.70392	0.2
158.54779	0.3
212.09196	0.2
213.36932	0.2
278.51068	0.2
455.35269	100.0
456.35611	17.6
456.42224	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	92.1
57.53354	0.6
58.03784	1.6
59.01378	100.0
60.01719	0.7
61.98840	2.1
71.01378	3.9
71.04940	1.6
73.02952	2.0
81.03461	2.5
83.01395	1.6
85.02947	1.9
93.59527	0.8
95.40523	0.6
99.04519	89.6
100.04879	2.1
101.02441	18.1
113.02438	1.7
125.02447	32.4
126.02763	1.2
143.03479	2.2
161.04498	1.6
269.10211	1.9
305.45224	0.7
311.11365	1.9
349.83920	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.9
57.03450	1.4
57.50335	0.6
59.01378	100.0
60.01715	1.0
61.98827	7.4
69.03462	1.7
71.01379	26.4
71.50831	1.0
72.99316	0.8
73.02943	19.9
73.44666	0.7
75.00905	0.7
81.03444	1.4
83.01377	6.0
84.30283	0.7
85.02953	8.8
85.03416	1.1
87.00879	2.0
89.02445	9.1
95.01385	1.5
97.02969	1.6
99.00906	1.9
99.04510	1.1
100.47195	0.7
101.02444	20.7
103.16699	0.6
109.02979	1.4
111.04510	0.9
112.98491	0.7
113.02451	8.8
119.03510	2.5
125.02422	1.4
125.06017	0.7
131.03531	1.3
135.04544	1.8
137.02502	0.8
143.03484	2.0
149.04834	1.0
149.06061	9.0
161.04579	5.5
177.09230	1.0
177.12828	2.3
179.03477	2.5
187.14934	1.3
203.05586	3.3
205.15970	6.7
215.14270	1.0
221.15466	1.5
223.13300	0.8
231.13924	0.9
233.15468	8.2
249.14949	18.5
250.15395	0.9
251.16510	94.2
252.16852	7.9
330.17737	0.8
395.20709	9.2
396.21027	1.4
413.21802	16.0
414.22128	1.8
419.08591	0.7
455.22897	40.7
456.23267	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	455.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86377	2.0
57.03429	2.0
59.01379	100.0
60.99310	5.5
61.98838	5.0
69.03455	5.9
69.34042	10.2
69.34472	7.2
69.51950	2.1
71.01382	13.5
72.99314	2.6
73.02946	10.1
77.09177	2.0
78.95895	2.8
83.01386	5.1
85.02964	4.7
87.98985	1.8
88.98804	33.6
89.02451	6.9
94.94268	2.4
98.20602	5.0
99.00872	4.3
101.02447	11.9
111.00896	2.4
113.02439	6.0
117.03468	9.4
125.02430	2.5
130.08791	3.3
131.01288	2.7
159.04469	3.6
163.03918	2.9
173.02492	4.3
175.00337	7.0
203.03500	3.4
216.39346	2.5
251.07147	3.2
269.04440	2.7
280.03671	3.7
280.54810	2.2
284.62936	2.4
293.04562	45.6
294.05020	3.6
295.05951	3.6
339.04999	3.1
352.80563	2.1
395.20682	6.1
413.21750	5.6
455.09790	12.0
462.86337	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	455.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27201	0.4
57.03447	81.7
58.03774	0.8
59.01379	100.0
60.01701	0.5
69.03472	0.8
70.17309	1.8
71.01372	3.5
73.02950	1.9
81.03442	2.9
83.01414	1.0
85.02950	1.5
89.02457	0.7
97.02905	0.5
99.00873	0.5
99.04517	78.8
100.04859	1.9
101.02438	13.7
113.02441	1.4
125.02444	27.5
126.02786	1.2
135.04529	0.7
143.03477	1.8
161.04497	1.3
191.71548	0.5
203.01913	1.1
269.10126	1.4
311.11282	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	454.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.6
61.76873	0.4
61.98829	100.0
68.99561	0.5
69.24950	3.9
81.29608	0.4
87.20959	0.4
98.19910	0.6
116.79066	0.4
121.02975	1.5
135.04533	0.4
257.76865	0.4
267.03241	0.4
356.33813	0.4
372.08072	0.5
372.92023	0.4
387.10974	0.5
412.19791	0.4
455.26706	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	454.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.9
61.98827	100.0
69.43322	0.8
69.43720	3.4
71.01383	0.6
98.19830	1.0
112.98524	0.5
135.34760	0.4
147.49785	0.4
282.81238	0.5
390.64813	0.4
425.40881	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57470	0.5
52.42655	0.5
59.01381	18.8
61.67324	0.5
61.98827	100.0
68.63012	0.6
69.03455	0.6
69.78001	2.5
71.01373	3.7
73.02955	2.6
83.01393	1.2
85.02954	1.4
85.76226	0.5
89.02464	1.3
97.02987	0.7
97.82206	0.5
101.02454	2.5
113.02454	1.6
129.81923	0.6
134.48729	0.5
135.04504	0.9
149.06081	0.9
161.04527	1.1
179.03450	1.0
225.26042	0.6
230.09041	0.8
233.15437	1.1
236.34554	0.8
249.14986	1.7
251.16481	8.6
290.82742	0.6
395.20740	1.2
413.21945	2.2
454.20996	0.7
455.13287	0.7
455.22827	3.7
463.18729	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1668
Annotation	Kopsinarine
Peak:m/z	Relative Intensity
59.01377	15.3
60.98604	1.0
61.98819	2.9
63.99179	1.2
71.01378	3.9
71.08092	2.2
72.99316	1.1
73.02914	1.3
73.30206	1.0
85.02962	1.3
85.86938	1.0
95.42204	1.1
109.02991	1.5
133.01489	1.3
135.04555	1.3
136.07619	1.0
152.37845	1.0
177.01967	1.1
179.03465	1.6
186.03975	2.2
186.05591	36.4
187.06192	3.5
200.07143	1.3
209.07924	4.2
210.05603	2.6
212.07153	2.1
214.08704	4.0
215.09468	16.8
216.10294	6.3
224.07091	1.8
238.08723	3.0
265.09848	1.7
268.13339	5.6
269.13382	1.6
279.07721	1.9
293.09244	4.5
296.16370	6.5
307.10803	3.1
321.12415	2.8
322.14337	4.3
337.15549	9.5
349.15485	3.3
365.18655	25.5
366.18958	2.9
381.14676	5.2
391.16843	5.1
393.14529	2.5
409.17734	7.4
430.96841	1.2
435.15689	7.7
453.16556	100.0
454.16873	13.2
454.22495	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	453.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
58.31374	0.6
59.01111	2.2
59.01379	39.9
61.98892	0.5
65.67549	0.5
69.03498	1.6
69.19222	5.3
71.01379	16.6
72.99353	0.7
73.02945	12.2
73.35850	0.5
83.01387	3.5
85.02955	3.0
87.00951	0.8
89.02446	4.3
95.05076	1.0
97.03024	1.0
97.06657	0.6
99.00911	0.7
99.04517	4.1
101.02438	11.8
108.02220	0.9
109.03015	1.1
113.02461	5.1
119.03567	2.1
121.02946	6.6
125.02525	0.8
133.02997	0.8
134.03743	12.2
135.04579	1.6
136.05284	6.3
137.06079	11.6
137.07027	0.8
143.03534	1.2
147.04562	1.2
149.04799	0.8
149.06075	7.4
150.03223	0.6
150.06868	0.7
151.04045	0.7
161.04613	3.5
161.05968	1.1
162.06885	1.3
177.09201	41.2
178.09612	2.3
180.04314	2.3
185.01021	1.3
187.14990	1.0
189.09204	37.6
190.09634	2.2
191.22931	0.7
203.10782	3.7
203.94244	0.5
205.12321	64.4
206.12698	5.1
219.13766	0.6
231.10277	11.7
231.13814	5.8
232.10640	0.8
240.08409	0.7
246.39020	0.6
249.11304	100.0
249.14867	5.3
250.11658	7.6
254.10463	1.1
255.10994	0.7
286.09543	1.4
287.09735	1.0
340.85056	0.6
393.19016	1.6
409.18921	0.8
411.20316	7.7
412.20474	0.8
453.17542	44.0
454.17691	5.1
468.07312	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32638	5.7
59.01377	24.7
61.98832	100.0
69.18462	8.3
69.18870	35.7
101.29575	4.4
118.07768	4.6
125.19312	4.9
133.03003	10.7
153.72374	4.3
177.01913	7.8
204.34668	4.6
224.26514	4.6
453.15738	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	453.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40353	0.3
53.87037	0.3
54.01797	0.3
57.27164	0.3
59.01365	0.4
59.48507	0.3
62.26314	0.3
80.73928	0.4
87.84962	0.4
92.86538	0.4
96.40198	0.3
96.95986	0.4
127.59145	0.3
133.02963	1.1
146.96245	0.3
161.02434	14.6
161.03778	0.8
162.02744	0.3
169.06573	1.0
181.06570	6.4
182.06863	0.4
187.07733	0.5
197.06081	2.8
197.88080	0.4
204.16217	0.4
225.05557	100.0
226.05898	7.2
227.07146	0.5
227.19778	0.3
228.97064	0.4
420.84793	0.4
453.13443	3.7
453.22479	0.4
454.14044	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17197	1.4
54.51427	1.4
59.01372	7.7
61.98818	3.7
62.18012	1.3
63.96357	1.3
71.01377	1.6
88.82668	1.7
88.98840	1.5
145.04138	1.5
186.05577	37.9
187.06158	3.4
193.44360	1.6
200.07251	4.2
210.05458	1.6
214.08711	4.0
215.09460	15.0
216.10161	7.2
238.08734	4.2
268.13388	5.2
279.07700	2.5
292.08792	1.8
293.09299	5.3
293.12564	1.5
296.16589	6.3
307.10983	2.6
321.12411	2.7
322.14310	3.2
337.15451	8.1
349.15927	1.8
365.18622	23.7
366.19098	2.6
381.14529	5.2
391.16687	4.2
409.17676	6.7
426.21219	1.7
435.15576	5.3
453.16559	100.0
454.16913	14.8
454.23749	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	452.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23359	0.3
59.25515	0.3
69.43868	2.1
78.95898	6.3
84.17308	0.3
84.46951	0.3
100.09296	0.3
102.00244	0.3
112.70808	0.3
140.01166	1.4
140.39110	0.3
152.99571	0.9
157.01428	0.3
190.74240	0.3
196.03743	1.0
214.04854	1.9
238.94907	0.3
243.60773	0.3
251.88322	0.3
255.23273	100.0
256.23605	8.0
305.75616	0.3
323.05759	0.3
404.84824	0.4
452.27698	7.3
453.28238	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
60.85515	0.2
62.96395	0.5
78.95898	19.8
87.11404	0.2
98.20643	0.6
122.00108	0.9
129.67883	0.3
140.01176	5.2
149.88219	0.2
152.99590	1.7
166.02682	0.5
196.03783	9.4
206.53351	0.3
214.04887	1.7
222.97728	0.2
255.23265	100.0
256.23611	8.2
346.14487	0.2
448.12479	0.3
452.27771	24.7
453.28201	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	451.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32423	1.0
59.01377	100.0
61.98817	3.4
70.72713	1.3
70.73039	1.6
73.27538	0.9
76.88860	0.8
78.95896	2.4
80.12164	0.9
81.03448	4.2
83.05017	14.8
96.96021	1.1
109.14201	0.9
172.32825	1.1
182.98479	0.9
190.13713	1.1
235.68329	0.9
241.92046	1.1
283.26602	1.3
391.29651	42.8
392.29980	7.3
451.14566	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63425	0.1
57.03451	0.2
58.02959	0.4
58.34008	0.2
59.01381	2.7
61.98827	1.5
71.01374	1.3
71.50238	0.3
72.99287	0.2
73.02949	0.8
75.00877	2.7
80.05070	0.3
81.03454	8.9
83.01389	0.2
83.05023	25.4
84.05362	0.5
85.02924	0.3
89.02422	0.2
99.00916	0.2
100.07676	0.3
101.02439	0.5
107.06145	0.9
108.04551	1.0
109.02940	0.5
113.02455	0.4
115.00385	0.5
117.97310	0.3
120.99636	1.5
125.07211	2.8
126.05615	0.6
130.00188	0.2
133.01425	1.3
143.08249	1.8
153.01878	0.3
157.13522	0.2
158.73006	0.2
161.04811	0.2
174.03224	0.3
176.01775	0.4
192.05046	0.2
204.04819	0.4
206.02104	0.2
207.15015	3.8
224.15433	0.2
224.17667	4.9
225.16069	12.3
226.16441	0.8
229.08626	0.8
242.18723	1.4
247.05545	0.9
247.09776	0.5
250.15649	0.4
290.22470	0.3
291.04492	0.3
292.20407	0.3
307.23990	0.3
309.21994	0.5
324.26520	1.5
325.26898	0.2
333.22922	4.0
334.23419	0.4
335.03052	0.2
341.06522	0.2
351.24115	1.0
367.27191	1.6
391.22684	0.2
409.15128	0.3
433.31808	6.4
434.32376	0.8
451.16269	2.7
451.32919	100.0
452.16708	0.4
452.33231	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	452.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84236	1.3
59.01377	16.2
61.98830	100.0
69.20924	13.8
71.01395	3.5
101.02451	2.2
134.03697	1.6
165.12842	3.2
183.13921	11.0
196.64331	1.4
227.12889	31.4
228.09068	1.6
228.13205	1.5
241.06168	2.9
247.09706	1.7
255.07613	2.8
256.08484	13.8
270.09717	1.9
283.10846	6.0
284.11499	2.3
285.09207	1.9
285.12405	37.2
286.12790	2.8
314.74594	1.4
380.16223	2.0
389.18054	3.2
408.19119	12.1
409.63596	1.7
411.20081	2.5
434.17264	4.4
452.18201	33.4
452.24417	1.7
453.18787	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	451.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79140	0.5
59.01379	29.0
61.98823	1.0
71.01376	1.5
71.51506	0.7
85.02950	0.7
89.02470	0.6
101.02428	1.3
113.02429	0.6
115.00381	0.7
121.02953	0.9
122.03720	0.8
130.08740	1.6
133.02914	0.5
135.04485	0.7
139.38234	0.5
149.02405	0.6
161.02463	3.2
163.03938	0.7
174.03271	0.9
179.03477	0.7
186.06767	1.0
201.09242	1.8
203.10753	0.7
211.04095	0.7
213.05659	0.6
214.06319	1.9
227.07260	0.9
229.08685	100.0
230.09045	7.5
247.09572	0.7
247.13377	1.3
260.07678	0.7
274.44354	0.5
283.26486	0.6
451.20831	1.7
451.27539	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.179
Annotation	Unknow
Peak:m/z	Relative Intensity
69.26025	0.1
70.50932	0.5
99.00877	0.4
99.92584	6.2
100.66779	0.2
100.92667	0.3
100.93359	3.5
101.93368	0.2
114.24837	0.2
115.92077	100.0
116.92085	5.1
116.92870	6.0
117.92510	0.3
132.92323	1.1
142.94395	0.4
144.17393	0.2
153.81010	0.2
155.95235	0.3
156.95969	0.3
172.94063	0.3
172.95470	4.2
193.63504	0.2
214.72699	0.2
255.23366	0.2
277.21771	0.5
286.37259	0.2
306.50760	0.2
377.14337	0.4
403.15952	1.0
433.17010	0.9
451.17828	1.7
452.18185	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74925	0.3
67.31510	0.3
70.67251	0.3
78.95901	15.9
98.20711	0.9
104.97460	1.0
105.04865	0.4
110.98531	9.9
137.00026	0.7
167.01132	11.7
185.02185	2.3
283.26395	100.0
284.26746	8.6
332.72757	0.3
394.07645	0.3
451.28293	17.8
452.28644	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04301	0.4
55.41220	0.3
70.13866	1.0
78.95905	12.1
81.25533	0.4
88.81020	0.3
102.78809	0.3
104.97478	0.4
110.98527	8.5
125.11710	0.4
152.99609	0.5
154.59344	0.4
167.01138	10.7
168.01434	0.3
173.62685	0.4
185.02220	2.9
283.26416	100.0
284.26767	9.7
292.15149	0.4
451.28311	16.6
452.28790	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79749	1.3
59.01381	100.0
60.18047	1.5
61.98834	5.3
78.95905	2.3
81.03461	4.0
83.05022	14.9
87.00936	1.4
98.19870	4.3
149.31149	1.5
153.72946	1.4
247.50044	1.7
283.26257	2.1
386.42325	1.6
391.29688	38.6
392.29898	6.2
451.17407	4.9
469.51456	1.8
469.69205	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
58.30577	0.3
59.01379	20.7
60.01695	0.5
61.98812	0.8
62.22095	0.3
75.31154	0.3
77.74335	0.4
80.51140	0.4
122.25801	0.4
130.04231	1.7
130.47954	0.3
133.02924	0.3
173.02440	1.1
174.03201	20.1
175.03580	0.9
206.02187	12.8
207.02512	0.8
214.06430	0.6
221.44102	0.3
229.08676	100.0
230.09032	6.7
247.09717	0.7
289.61801	0.3
296.53992	0.3
312.62201	0.3
393.16394	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1608
Annotation	[4R-(4R*,S*,7R*,10S*)]- 4,6-bis(Acetyloxy)-3-[(acetyloxy)methyl]-5,6,7,8,9,10-hexahydro-7-methoxy-6,10-dimethyl-7,10-epoxycyclodeca[b]furan-2(4H)-one
Peak:m/z	Relative Intensity
50.91919	0.3
55.01870	0.9
57.03438	0.7
58.00593	1.1
59.01379	40.9
60.01701	0.4
61.98823	0.9
67.01904	0.7
69.03458	1.0
69.32864	2.5
71.01379	19.7
72.99321	1.3
73.02946	22.6
75.00861	1.0
83.01383	4.4
83.05025	0.7
85.02946	3.6
87.00886	1.2
87.04525	0.7
89.02438	6.2
95.01394	1.1
97.02943	0.4
99.00900	0.9
101.02439	15.1
102.02776	0.3
113.02459	4.7
115.00396	0.4
119.03517	1.2
125.02412	0.4
130.04288	0.5
131.03520	0.7
133.06627	0.4
134.03740	0.6
135.04538	0.5
135.08156	0.8
141.53210	0.3
147.04538	0.4
148.05342	1.8
159.04565	0.5
159.11809	0.4
160.05292	0.6
161.04547	0.8
161.09732	1.4
173.02438	0.9
174.01686	5.0
174.03224	7.8
175.02234	0.4
175.03731	0.8
175.07643	1.6
185.06094	0.3
187.07625	2.7
188.08392	0.4
195.01346	0.3
201.05490	0.3
201.09302	0.7
203.10767	28.1
204.11078	2.7
206.02188	4.9
210.07922	0.4
211.08829	0.4
229.08676	31.8
230.09010	2.6
239.08287	0.9
245.08203	0.4
246.12660	0.5
247.09731	20.3
248.10094	1.7
254.10628	0.9
254.90294	0.3
255.11412	0.7
284.11505	0.4
286.09534	1.6
289.10825	0.7
316.10458	0.6
378.18372	0.3
391.13956	5.0
392.14359	0.5
408.19272	0.8
409.15012	16.2
410.15460	1.8
422.17099	0.4
434.17108	0.6
440.65546	0.3
451.16071	100.0
452.16656	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	451.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34412	0.9
57.65624	1.0
59.01379	12.2
61.98823	2.3
69.03430	1.2
71.01386	4.9
71.30841	2.5
72.99307	3.4
73.02940	3.8
75.00871	9.5
82.71237	1.0
83.01366	2.8
84.02139	1.3
85.02947	2.1
87.00866	2.9
89.02446	1.7
95.04995	1.6
95.58068	1.0
95.76865	1.1
96.96001	1.4
101.02438	3.1
106.68891	1.1
109.02953	16.1
113.02433	2.3
113.99557	2.4
115.00334	2.3
123.04534	8.3
125.02485	1.3
133.02974	2.2
135.02986	1.4
135.04524	2.5
141.29610	1.0
147.04535	2.0
151.03952	3.6
161.02425	4.4
174.01689	100.0
175.02205	4.3
177.01913	13.1
187.04008	1.3
189.01917	33.1
190.02621	6.4
191.03503	6.7
197.94897	1.1
201.02008	1.4
203.03481	4.3
216.00569	5.1
217.01402	19.7
218.01982	1.7
219.02995	6.5
227.06978	1.5
229.09894	1.1
231.02936	6.7
269.08203	1.0
281.04575	1.5
289.12109	1.1
299.05447	1.3
305.10260	1.5
323.59570	1.1
329.10236	3.6
333.09692	6.0
341.06644	55.2
342.06931	6.5
342.60077	1.0
391.10382	14.4
392.10535	1.2
451.10562	14.4
451.28528	4.3
452.11365	2.0
452.18033	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	451.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35941	0.4
52.10685	0.5
52.55918	0.5
56.34681	0.5
56.70897	0.5
57.03443	0.9
59.01383	12.4
61.98832	3.3
69.03468	1.3
71.01389	5.0
71.50269	0.5
72.99303	3.0
73.02947	4.6
75.00871	6.5
77.64861	0.5
83.01392	2.4
85.02956	2.5
86.65656	0.6
87.00893	2.6
89.02446	1.3
95.05035	0.9
99.00851	1.3
101.02431	3.3
107.05017	0.4
109.02946	5.8
111.00922	0.4
113.02464	1.5
113.99609	2.6
115.00377	2.2
119.03550	0.7
123.04524	2.4
125.02419	0.5
133.01402	0.8
133.02966	1.6
135.02972	0.6
135.04527	1.2
137.09683	0.5
140.89104	0.6
147.04590	0.9
150.03249	0.6
151.04030	1.3
153.01987	1.2
156.00665	1.7
159.04572	1.2
160.07703	0.6
161.02440	2.1
161.04541	0.7
163.00218	0.6
174.01695	100.0
175.02248	4.8
175.03719	0.7
177.01938	5.7
185.11789	0.7
189.01942	12.6
190.02664	2.1
191.03482	1.7
191.05614	0.9
201.01903	0.7
203.03502	2.4
211.03969	1.0
215.08105	0.6
216.00652	1.6
217.01413	8.5
218.02061	0.8
219.03055	2.5
227.07144	2.3
228.07506	1.5
229.07762	1.0
231.02917	2.5
237.99637	0.6
247.13403	1.1
255.06497	0.8
265.09760	0.6
289.07303	1.0
297.07648	1.1
305.10144	1.4
315.08658	0.9
323.05481	0.8
323.59448	1.4
329.10382	3.4
333.09790	6.6
341.06674	19.7
342.07031	1.7
354.59415	0.9
361.09384	0.6
371.11023	0.6
391.10349	13.8
391.22778	0.6
392.10617	1.4
401.52988	0.5
433.11218	0.6
451.11926	9.7
451.29468	4.8
452.12289	0.9
452.18329	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	8.0
61.98827	1.2
64.30156	0.4
71.01386	2.8
71.50725	0.6
73.02932	1.1
75.00862	3.6
85.02968	1.2
87.00883	0.6
87.04498	0.8
89.03969	0.5
95.05005	1.0
99.04527	0.6
101.02438	1.3
101.27941	0.4
102.98604	0.6
103.05522	1.0
105.03493	0.7
108.02177	1.0
109.02946	23.7
110.03255	0.8
113.02442	0.7
113.99534	0.5
115.05425	0.5
117.03457	0.8
119.05018	0.9
121.02949	0.9
122.18621	0.5
123.04515	11.5
125.02460	0.7
133.01390	0.6
133.02950	4.4
135.00822	0.5
135.04541	1.1
137.02437	0.8
145.02936	1.8
147.04512	4.6
149.02440	0.9
150.03174	0.8
151.03989	6.2
158.03732	2.0
159.04485	2.8
161.02437	7.3
162.03148	1.2
163.04005	1.3
173.02319	0.5
175.03952	0.7
176.01155	0.7
177.01923	22.2
178.02202	1.2
179.03410	0.4
182.11981	0.4
184.55141	0.5
187.03995	2.1
189.01921	51.3
190.02646	10.8
191.03500	10.8
202.02699	13.6
203.03511	7.2
204.03697	0.7
216.00632	7.5
217.01404	32.6
218.01949	3.2
219.02974	11.4
220.03319	0.8
222.01579	0.6
229.08719	0.8
231.02968	9.7
232.03510	1.3
233.04561	0.9
281.04535	1.8
289.07230	1.7
297.07666	1.1
299.05569	1.7
303.21863	0.6
323.05548	1.9
341.06622	100.0
342.06915	11.7
407.09869	5.3
451.10312	21.1
451.30005	3.5
452.10806	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	451.0538
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.6
59.01377	6.1
70.78095	0.9
71.01375	2.9
73.02959	0.6
78.95923	0.4
79.95720	2.3
83.01382	0.5
85.02956	2.2
87.00880	0.5
89.02439	1.1
93.03468	0.5
95.05030	0.3
96.96008	100.0
97.93104	0.4
99.04517	0.8
99.92579	0.9
101.02474	0.9
109.02970	1.0
111.04517	0.5
113.02409	0.8
113.92638	0.4
115.00344	1.2
115.92069	1.3
116.92846	1.8
119.03532	0.4
120.01216	1.6
121.02936	0.4
123.04507	0.4
124.81013	0.4
125.02448	0.8
127.04035	0.6
133.01404	1.5
133.02972	0.6
134.03705	0.5
135.04558	0.8
137.02472	1.2
149.02457	0.5
151.04027	0.5
158.08002	0.3
160.04002	0.4
161.02437	1.0
161.04662	0.5
167.03392	0.4
178.02756	0.5
179.03477	0.6
191.05602	29.8
192.05919	1.4
200.29025	0.4
215.95212	0.4
216.98112	0.4
245.08182	0.5
260.97131	1.1
261.81680	0.4
262.96573	0.5
289.07080	2.2
289.72501	0.4
306.07202	0.5
353.08725	4.3
354.09290	0.4
391.19846	0.4
409.21140	0.4
451.11859	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.088
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60740	1.4
57.03422	1.6
58.98658	1.2
59.01377	100.0
60.01694	1.7
61.98827	24.6
63.32260	1.3
69.23051	12.3
71.01380	56.4
72.99312	6.5
73.02940	7.5
74.02465	1.5
75.00867	1.5
83.01371	2.9
85.02934	5.8
87.00864	2.4
89.02455	9.2
95.01392	1.4
99.00871	2.1
100.00388	2.6
101.02425	7.7
102.98577	4.8
109.02969	2.8
113.02446	4.1
115.00367	50.0
119.03474	2.7
120.99645	14.2
121.02945	3.7
125.02421	3.1
133.01427	72.1
134.01752	2.4
139.03975	1.3
143.03459	1.8
161.04532	2.7
164.01718	2.9
175.04004	1.6
176.01711	2.6
176.63649	1.5
190.03339	3.3
192.04953	3.1
201.20091	1.3
204.04868	1.9
217.03238	8.0
217.04997	2.3
217.53374	2.1
220.04256	3.0
223.03928	4.6
241.04956	3.4
247.05486	11.1
255.99976	2.8
266.02084	2.4
267.02884	7.7
269.04486	3.8
270.05063	1.9
279.02948	2.9
283.04977	3.7
285.04047	8.9
291.04425	12.7
295.02426	1.8
335.03452	7.9
349.18466	1.8
359.05502	3.0
361.13882	1.5
370.04749	1.6
371.08807	18.1
371.58884	7.7
372.09247	2.0
416.05310	10.6
417.05850	6.4
418.06583	1.8
434.06403	5.2
435.07129	26.9
436.07266	5.0
451.21576	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	451.0451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.6
56.98059	1.1
57.03451	2.3
57.97557	2.5
58.00583	1.7
59.01382	50.9
60.01726	1.1
61.98826	3.9
63.96246	2.6
70.03008	1.4
71.01389	28.1
71.49976	1.2
71.50381	1.5
72.17828	1.2
72.99309	7.1
73.02953	9.6
74.02492	8.8
74.99120	1.7
75.00878	82.0
83.01392	1.5
83.13994	1.3
85.02953	6.1
87.00895	2.2
89.02460	4.8
95.01382	1.7
97.04069	1.3
99.00862	1.4
100.00404	19.3
101.02471	7.2
102.03490	1.9
109.02950	2.2
109.04062	2.7
112.20786	1.0
113.02460	3.5
115.00383	20.6
117.97322	16.0
119.03558	2.0
120.99667	12.2
125.02470	1.6
129.01926	1.2
129.05898	1.9
133.01442	20.9
135.04510	2.1
144.08217	1.6
146.06140	1.4
150.01488	1.5
150.03157	1.3
151.02263	2.2
153.01923	2.3
157.05334	1.1
158.06181	1.7
161.04544	1.4
162.05479	1.1
163.00995	2.7
163.02260	1.6
164.01759	13.3
165.02496	3.7
165.82732	1.3
166.03322	6.4
170.06067	1.3
174.03281	2.2
176.01776	17.1
176.05449	4.6
177.02147	2.0
178.03345	1.7
185.07182	1.5
186.05588	1.2
187.08835	9.4
188.01718	1.9
189.02611	6.4
190.03368	18.1
191.03439	1.5
191.05533	1.5
192.04909	23.4
193.05397	1.6
202.03261	1.3
204.04903	16.8
205.02049	1.6
206.02248	2.3
213.06679	5.1
215.19312	1.2
216.01236	4.9
217.01479	1.7
218.02873	3.1
219.03629	2.9
219.05957	4.6
220.00734	5.0
220.04381	18.2
222.59595	1.2
227.07190	1.4
229.08733	8.8
232.03351	1.2
237.04352	1.4
245.08160	2.6
247.05479	57.0
247.09761	5.3
248.03690	1.6
248.05856	3.6
263.29425	1.2
272.21936	1.1
291.04456	100.0
292.04721	9.2
298.03485	2.4
335.03442	50.8
336.03778	5.1
341.06778	3.3
373.97388	1.1
391.14050	3.5
407.19183	4.2
409.15051	4.9
447.17850	1.5
451.10248	2.1
451.16196	28.2
451.29190	79.2
452.16864	3.2
452.29391	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	451.0538
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.6
59.01377	6.1
70.78095	0.9
71.01375	2.9
73.02959	0.6
78.95923	0.4
79.95720	2.3
83.01382	0.5
85.02956	2.2
87.00880	0.5
89.02439	1.1
93.03468	0.5
95.05030	0.3
96.96008	100.0
97.93104	0.4
99.04517	0.8
99.92579	0.9
101.02474	0.9
109.02970	1.0
111.04517	0.5
113.02409	0.8
113.92638	0.4
115.00344	1.2
115.92069	1.3
116.92846	1.8
119.03532	0.4
120.01216	1.6
121.02936	0.4
123.04507	0.4
124.81013	0.4
125.02448	0.8
127.04035	0.6
133.01404	1.5
133.02972	0.6
134.03705	0.5
135.04558	0.8
137.02472	1.2
149.02457	0.5
151.04027	0.5
158.08002	0.3
160.04002	0.4
161.02437	1.0
161.04662	0.5
167.03392	0.4
178.02756	0.5
179.03477	0.6
191.05602	29.8
192.05919	1.4
200.29025	0.4
215.95212	0.4
216.98112	0.4
245.08182	0.5
260.97131	1.1
261.81680	0.4
262.96573	0.5
289.07080	2.2
289.72501	0.4
306.07202	0.5
353.08725	4.3
354.09290	0.4
391.19846	0.4
409.21140	0.4
451.11859	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	7.2
61.98830	100.0
69.48283	2.6
69.48696	0.7
71.01392	1.7
73.02940	0.7
74.56065	0.3
75.00915	0.4
79.62850	0.4
85.02983	0.7
86.25555	0.4
89.02461	0.7
91.13240	0.4
94.04410	0.4
101.02451	1.2
113.02472	0.8
113.72437	0.4
120.99655	3.8
121.76315	0.4
161.04626	0.8
177.57813	0.4
181.93564	0.4
228.07521	0.5
330.06351	0.5
409.17178	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87155	0.5
59.01379	2.4
61.98829	100.0
70.71096	1.0
71.01390	1.0
75.05074	0.5
83.43819	0.5
85.45504	0.5
94.36314	0.5
101.02440	0.7
105.15308	0.5
145.18735	0.5
165.94402	0.5
180.38416	0.5
183.01987	0.5
202.44098	0.4
228.07474	1.2
242.46559	0.4
368.74985	0.5
390.21115	0.6
415.89999	0.6
415.95569	0.4
439.61423	0.4
451.29477	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.6
56.98059	1.1
57.03451	2.3
57.97557	2.5
58.00583	1.7
59.01382	50.9
60.01726	1.1
61.98826	3.9
63.96246	2.6
70.03008	1.4
71.01389	28.1
71.49976	1.2
71.50381	1.5
72.17828	1.2
72.99309	7.1
73.02953	9.6
74.02492	8.8
74.99120	1.7
75.00878	82.0
83.01392	1.5
83.13994	1.3
85.02953	6.1
87.00895	2.2
89.02460	4.8
95.01382	1.7
97.04069	1.3
99.00862	1.4
100.00404	19.3
101.02471	7.2
102.03490	1.9
109.02950	2.2
109.04062	2.7
112.20786	1.0
113.02460	3.5
115.00383	20.6
117.97322	16.0
119.03558	2.0
120.99667	12.2
125.02470	1.6
129.01926	1.2
129.05898	1.9
133.01442	20.9
135.04510	2.1
144.08217	1.6
146.06140	1.4
150.01488	1.5
150.03157	1.3
151.02263	2.2
153.01923	2.3
157.05334	1.1
158.06181	1.7
161.04544	1.4
162.05479	1.1
163.00995	2.7
163.02260	1.6
164.01759	13.3
165.02496	3.7
165.82732	1.3
166.03322	6.4
170.06067	1.3
174.03281	2.2
176.01776	17.1
176.05449	4.6
177.02147	2.0
178.03345	1.7
185.07182	1.5
186.05588	1.2
187.08835	9.4
188.01718	1.9
189.02611	6.4
190.03368	18.1
191.03439	1.5
191.05533	1.5
192.04909	23.4
193.05397	1.6
202.03261	1.3
204.04903	16.8
205.02049	1.6
206.02248	2.3
213.06679	5.1
215.19312	1.2
216.01236	4.9
217.01479	1.7
218.02873	3.1
219.03629	2.9
219.05957	4.6
220.00734	5.0
220.04381	18.2
222.59595	1.2
227.07190	1.4
229.08733	8.8
232.03351	1.2
237.04352	1.4
245.08160	2.6
247.05479	57.0
247.09761	5.3
248.03690	1.6
248.05856	3.6
263.29425	1.2
272.21936	1.1
291.04456	100.0
292.04721	9.2
298.03485	2.4
335.03442	50.8
336.03778	5.1
341.06778	3.3
373.97388	1.1
391.14050	3.5
407.19183	4.2
409.15051	4.9
447.17850	1.5
451.10248	2.1
451.16196	28.2
451.29190	79.2
452.16864	3.2
452.29391	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	449.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06801	0.4
57.03451	1.3
59.01377	100.0
59.41829	0.4
60.01717	1.3
61.01794	0.9
61.98838	3.1
65.32225	0.4
67.55256	0.3
69.03461	0.5
71.01381	9.7
72.99310	0.8
73.02940	4.9
74.02507	0.4
75.00887	0.4
83.01399	1.6
85.02958	3.6
87.00881	1.0
89.02438	4.8
95.01380	1.1
96.96059	0.4
97.02953	0.5
97.60630	0.4
99.00889	0.9
99.04523	0.9
101.02438	6.5
103.62947	0.3
109.02948	0.6
113.02448	4.3
115.00390	1.7
116.05070	2.3
116.24761	0.4
119.03529	1.8
119.51981	0.4
120.01256	4.1
121.02935	0.9
123.08180	0.8
125.02417	2.0
128.05141	0.4
133.01430	1.3
135.04546	1.5
143.03485	0.7
151.00432	0.6
152.00793	0.4
158.06137	1.4
159.03036	0.8
161.02512	0.6
161.04552	5.5
162.03185	0.6
167.03543	0.5
179.03532	0.5
179.05640	0.6
184.07724	0.5
186.03246	0.4
189.02034	0.4
191.05695	0.4
211.04036	2.2
227.07103	5.1
227.16454	0.5
245.11835	0.5
259.06128	0.9
269.04578	1.1
274.01202	7.3
289.10779	0.7
389.21869	4.0
404.15302	0.4
407.23373	0.7
449.10300	0.5
449.19510	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	449.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81175	0.3
62.96412	0.4
63.74781	0.4
65.44749	0.3
69.84140	1.3
69.84547	0.6
78.95905	16.1
104.97468	0.6
110.98535	10.7
152.99626	0.6
166.99712	0.7
167.01147	12.4
168.01506	0.4
185.02222	2.7
281.24854	100.0
282.25217	9.6
380.16696	0.3
449.26721	19.3
450.27203	2.0
460.04712	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59880	0.6
57.03445	0.8
58.98751	0.6
59.01379	100.0
60.01719	1.2
61.98824	0.8
70.91865	0.7
70.92194	0.9
71.01395	0.9
73.02960	0.6
91.84664	0.6
135.04503	0.7
163.69894	0.6
169.12390	1.0
251.35960	0.5
306.74448	0.6
323.40961	0.5
329.23489	1.4
339.25424	0.6
357.26450	29.5
358.26727	3.2
389.29126	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	450.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00741	0.7
59.01385	23.9
60.01711	1.4
61.01814	1.5
61.98833	100.0
69.54110	4.6
71.01379	3.5
73.02927	1.0
75.55499	0.8
81.04112	0.9
85.02983	1.4
89.02448	1.3
101.02438	1.4
111.71582	0.8
113.02470	0.9
115.00397	1.4
116.05036	0.8
120.99643	1.5
123.04549	1.0
133.01392	1.4
153.05501	1.1
163.56241	1.0
247.05389	1.3
256.60504	1.0
291.04449	1.3
318.13083	0.9
335.03467	1.2
340.81927	1.0
363.63315	1.1
462.12781	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	449.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32342	0.6
57.03447	1.2
58.00590	0.6
59.01382	100.0
60.01717	1.3
61.98842	4.0
63.02261	0.6
71.01382	8.3
72.99289	0.8
73.02948	5.0
74.99117	1.3
75.00868	5.0
83.01406	0.8
85.02944	3.3
87.00887	0.9
89.02465	3.1
93.03481	1.4
95.01415	0.6
99.00959	1.1
99.04543	1.4
101.02448	5.3
103.00413	0.6
113.02448	3.6
118.98097	11.2
119.03531	1.1
123.04543	1.9
133.01506	0.6
135.04517	2.8
141.05569	0.8
151.00429	2.6
155.10818	1.9
161.02571	0.7
161.04604	2.5
179.05640	0.6
185.11848	0.9
191.05647	6.4
209.11803	0.7
227.07137	1.4
229.08150	0.8
264.51547	0.5
269.13989	2.3
287.05670	2.2
342.67587	0.7
370.53198	0.6
389.21625	4.6
390.22308	0.8
407.23016	1.0
449.09692	1.0
449.15186	2.5
449.20563	5.6
449.27722	3.3
450.20706	0.8
470.50436	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	11.8
61.98824	2.4
69.91965	0.6
71.01394	1.9
71.17035	0.6
71.50504	0.7
93.03482	0.7
94.08247	0.6
101.02445	0.9
103.99065	0.7
105.25351	0.6
113.02496	0.7
115.00381	0.7
120.72894	0.7
137.02507	0.6
145.02937	1.0
146.03719	2.8
155.09682	0.7
161.02449	1.5
173.02426	17.7
174.03209	82.3
175.03574	4.7
189.05563	100.0
190.05916	5.6
201.01981	3.1
201.03592	0.6
213.14868	2.3
214.02698	0.6
233.04581	3.4
351.08609	1.2
358.04761	1.2
373.07101	0.7
405.09793	8.2
406.10352	0.7
449.08804	4.5
449.27490	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	449.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45284	0.2
54.38013	0.2
54.42134	0.2
59.01377	8.8
61.98813	0.5
69.33835	0.4
69.34241	1.2
71.01369	0.9
76.11368	0.2
83.05021	0.5
85.02955	0.3
91.05538	0.3
98.19830	0.4
101.02437	0.2
115.00381	0.3
121.02973	0.6
122.03743	2.2
133.02869	0.3
134.03694	1.0
135.04512	3.9
145.02896	0.4
149.02411	0.6
162.03197	0.7
175.00352	0.8
176.01173	0.6
185.06126	0.2
189.01923	0.6
190.02699	14.2
191.03035	0.8
192.00684	0.2
199.07658	0.7
201.01892	0.6
201.09193	9.7
202.09558	0.6
203.03436	0.9
204.00580	0.3
205.01389	0.4
213.05553	0.3
213.14833	0.3
217.08746	0.2
222.01668	7.2
223.02092	0.5
225.05592	0.4
227.03482	1.0
227.07155	0.8
229.05090	2.2
230.05777	3.3
243.06613	5.2
244.07375	7.7
245.08156	100.0
246.08493	8.0
341.13873	0.2
389.06912	0.3
389.12473	0.6
407.13400	0.7
438.39883	0.2
449.14493	31.2
450.14783	4.4
450.20752	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.4
59.01378	100.0
60.01725	0.6
61.98818	0.6
67.01898	0.8
69.15419	2.6
69.15850	1.9
71.01383	3.5
73.02937	2.1
75.00856	2.6
83.01405	0.6
85.02964	1.0
87.00893	1.3
87.04536	1.0
89.02438	0.8
91.01897	0.6
93.03458	5.6
101.02428	2.6
111.04531	1.0
113.02456	1.4
132.02127	0.4
133.02936	0.6
135.00984	0.6
135.04578	1.5
155.03535	0.4
160.01697	0.5
161.02414	0.9
173.04539	3.6
188.29250	0.4
191.05624	5.3
395.56760	0.5
449.14310	2.8
449.31128	2.2
450.16461	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48130	0.3
55.01870	0.5
57.03442	0.3
59.01380	22.8
69.03447	0.7
71.01380	8.9
71.27125	0.5
73.02947	21.5
74.03303	0.3
79.34472	0.3
81.03496	0.3
83.01389	5.1
85.02977	0.8
89.02450	1.4
101.02446	12.8
113.02456	2.2
119.03523	0.3
125.02428	0.6
131.03545	0.4
143.03496	0.6
143.88428	0.3
161.04492	1.5
168.05931	0.4
169.57024	0.3
174.03230	0.3
183.04527	0.5
211.04007	39.3
212.04503	3.0
225.05557	1.1
227.07137	100.0
228.07484	7.5
255.02969	0.5
271.11865	0.3
284.37607	0.3
364.62659	0.4
379.11453	0.3
391.65231	0.3
407.07672	1.1
407.13217	0.4
419.43665	0.3
449.08359	0.7
449.14508	10.4
449.19940	0.4
450.14865	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
59.01381	36.8
59.70317	0.3
60.01730	0.4
69.03454	0.5
69.41278	2.4
71.01385	9.5
72.99305	0.3
73.02950	17.5
75.00875	0.4
77.74524	0.3
83.01386	4.2
85.02950	1.2
89.02454	1.7
89.86309	0.3
98.20628	0.5
101.02439	10.1
107.70312	0.3
108.43964	0.5
113.02485	2.7
119.03499	0.5
125.02436	0.4
129.07249	0.4
131.03525	1.0
143.03586	0.4
149.04526	0.4
155.10684	0.8
157.06514	0.4
161.04594	2.0
163.78564	0.4
171.11609	0.4
174.03236	0.5
181.06616	0.5
183.04556	0.5
183.08191	2.1
197.06041	0.5
199.07625	0.7
206.02208	0.4
209.70856	0.3
211.04007	26.4
212.04529	2.2
225.05563	1.0
227.07137	100.0
228.07484	7.9
229.08688	2.0
245.08249	0.9
259.09729	0.4
449.08487	0.5
449.14584	10.6
449.20230	0.7
449.27505	0.6
450.14899	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	449.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88855	0.4
53.96658	0.4
57.03459	1.7
59.01379	13.3
59.45367	0.4
61.03447	0.5
61.98840	1.8
63.12405	0.4
67.01921	1.3
69.03479	0.5
69.26415	1.2
69.26835	2.5
71.01380	4.0
72.87055	0.4
73.02953	0.7
77.35429	0.4
81.03480	0.5
83.05009	0.6
85.02980	1.9
87.00858	1.1
89.02440	2.0
93.03457	6.4
95.03812	0.5
96.08205	1.3
97.01690	3.2
98.06135	1.3
99.00858	0.5
99.04539	1.3
100.04027	0.5
101.02431	2.0
105.03461	0.6
108.04576	0.6
109.01698	0.5
109.05325	1.0
110.06129	0.7
111.04559	0.6
113.02423	2.8
118.04260	1.8
118.06662	1.3
120.08235	0.7
124.07677	25.4
125.08040	0.7
126.05652	0.7
132.02184	4.2
133.02962	0.5
134.03725	1.4
134.06148	2.1
135.04515	2.7
136.07707	0.7
138.05650	0.9
138.09174	0.5
150.05598	0.9
158.03708	0.8
160.01654	0.6
162.03203	3.1
162.05571	5.1
163.06422	3.6
164.01236	0.4
166.05084	0.8
173.04538	4.1
173.09753	1.2
174.03308	0.5
178.05084	4.1
179.03586	0.9
179.05362	0.5
185.06104	0.5
190.02715	10.7
191.02983	0.4
191.05615	7.3
194.04585	0.8
199.07677	0.4
200.14493	1.2
201.01974	0.6
201.09219	1.8
222.01666	4.7
229.05006	1.3
230.05757	2.6
243.06685	0.7
243.15051	3.2
244.07401	0.7
244.15353	0.6
245.08167	100.0
246.08498	7.8
257.08771	0.4
275.09332	0.5
283.14578	0.8
287.14001	71.1
288.14322	6.8
301.15570	1.7
308.09189	0.6
329.15005	11.3
330.15274	1.2
389.17108	0.8
449.14352	14.1
449.19177	1.1
449.27374	1.0
450.14621	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.7
69.25679	0.3
69.96571	0.3
70.35962	0.9
71.43417	0.4
71.99376	0.4
78.95905	9.0
110.98530	6.1
128.55919	0.3
152.99554	0.5
167.01138	7.4
185.02190	3.5
211.92079	0.4
214.08685	0.4
256.67361	0.4
279.23270	100.0
280.23599	11.0
280.83362	0.4
304.40106	0.3
361.77060	0.4
447.25089	11.3
448.25558	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13607	0.4
52.16474	0.4
57.82455	0.5
59.01359	0.5
65.39832	0.5
70.25293	1.7
72.89489	0.5
78.95902	17.0
79.33677	0.5
104.97446	1.1
110.98526	11.5
167.01146	12.0
185.02246	2.9
225.00751	0.7
255.24054	0.4
279.23276	100.0
280.23611	10.5
447.25107	17.1
447.31345	0.6
448.25540	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	447.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98831	3.2
71.01381	5.4
85.02967	1.5
89.02455	3.7
95.01351	1.3
98.19872	2.7
99.00844	1.3
101.02480	2.0
108.50175	1.2
113.02451	2.2
115.48370	1.2
119.03383	1.2
130.13795	1.4
133.02989	1.9
139.11249	1.2
149.73311	1.1
153.09213	2.3
159.84697	1.0
161.04564	3.5
177.01888	1.3
197.11899	1.4
211.13396	1.7
225.14954	4.7
227.03432	1.9
255.02876	1.8
284.03314	2.7
285.04053	4.6
297.04013	2.1
298.04691	1.3
299.05508	2.1
327.05075	10.6
355.24893	9.7
356.25009	2.0
357.06000	5.2
387.20224	3.8
387.27170	1.3
447.09204	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	448.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30728	0.5
55.69987	0.6
56.85708	0.5
57.03448	1.7
59.01381	45.4
60.01716	2.3
61.98832	100.0
62.84682	0.6
67.13999	0.6
69.22854	1.2
69.23264	4.6
71.01380	10.0
72.01699	0.7
72.14599	0.6
73.02949	7.5
81.03428	0.9
83.01405	2.6
85.02960	3.5
87.00896	1.0
87.56467	0.6
89.02451	5.0
95.01413	0.8
98.20694	1.2
99.00884	0.8
99.04505	2.9
101.02437	7.4
102.02823	0.7
109.02967	1.4
113.02456	5.1
114.02781	1.0
115.00346	0.8
119.03519	1.6
121.03065	0.5
125.02451	1.2
125.09737	2.2
126.10071	1.2
131.03549	0.8
133.01454	1.1
133.02991	2.4
134.03331	1.2
135.04541	1.6
137.02484	0.7
143.03528	1.4
161.04593	2.5
162.61938	0.5
164.04408	0.7
167.03491	1.4
168.11072	0.7
176.04324	0.7
179.05617	1.0
191.05743	0.8
204.66835	0.6
213.66809	0.5
225.15030	0.7
226.15350	0.9
227.07143	9.6
229.08812	0.7
244.16403	0.6
246.04987	0.6
285.04022	1.7
286.04477	2.5
288.08789	1.4
297.04233	1.6
298.04465	5.1
299.05344	4.5
300.05963	4.9
311.05734	0.8
312.06143	1.2
327.05118	4.0
328.05438	16.2
328.09100	1.0
329.06116	1.3
340.05518	2.1
357.06299	2.3
358.06528	11.0
359.06750	1.3
388.20587	3.2
389.21927	1.6
407.22617	0.8
430.08719	1.9
448.09601	11.0
449.09613	1.3
449.14752	2.1
449.20120	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28629	0.5
54.75717	0.4
57.03443	0.5
59.01377	43.9
60.01706	3.1
61.98827	100.0
63.62016	0.5
69.15352	4.5
69.16027	0.5
71.01386	7.0
72.01707	1.1
73.02939	3.2
79.63979	0.4
83.01404	0.9
85.02955	1.2
87.00889	0.6
89.02430	5.2
89.02888	0.5
90.02779	0.6
91.51004	0.4
101.02463	3.7
113.02434	3.1
119.03492	2.3
120.03846	0.7
124.07646	0.5
125.02480	1.3
133.01451	0.6
135.04488	0.6
143.03609	0.5
151.00378	0.6
161.04575	1.1
164.50128	0.5
179.05566	2.6
191.05760	0.5
227.07179	2.1
241.31781	0.5
244.13448	0.7
259.06177	1.3
269.04553	1.0
287.05740	0.8
332.11453	0.6
388.20483	0.7
448.23050	0.6
449.10846	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
59.86526	0.5
60.01718	0.8
69.72663	3.5
71.01374	8.6
73.02966	0.8
76.86176	0.6
85.02975	1.4
89.02442	14.0
97.24220	0.6
99.04523	0.7
101.02441	5.6
113.02464	5.2
119.03496	6.1
131.03593	0.8
143.03520	1.5
149.04608	0.9
151.34628	0.6
161.04614	2.2
179.05594	9.3
189.33293	0.6
196.48259	0.6
387.20181	0.6
410.29965	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65654	0.7
55.01885	0.9
57.03449	1.4
57.24330	0.6
58.00574	0.7
59.01382	100.0
60.01714	1.8
71.01385	19.1
71.01779	1.1
73.02942	4.0
74.50573	0.7
82.76216	0.7
83.01379	1.8
85.02953	5.2
89.02446	7.6
95.01411	1.2
97.02952	1.3
98.20666	2.0
99.00870	1.5
101.02444	12.9
101.45434	0.7
105.46427	0.7
109.06629	1.0
113.02448	7.3
113.03064	0.7
119.03528	2.7
120.04638	0.7
121.03020	0.9
133.02936	4.7
138.06880	6.6
143.03506	1.2
149.02478	0.7
151.36407	0.7
153.09235	20.4
159.03059	1.2
161.04565	15.5
163.04048	0.9
179.05655	2.4
207.14009	1.1
225.00899	0.9
225.14969	38.0
226.15521	1.7
229.52303	1.0
269.04755	0.8
276.78116	0.9
284.03308	2.3
285.04117	3.1
297.03909	4.6
298.04825	3.1
299.05560	7.1
311.05872	1.1
327.05084	30.5
328.05655	2.4
339.05142	1.6
357.06165	8.8
369.06180	1.1
387.20242	16.2
387.24954	1.3
388.20779	1.6
447.09317	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	447.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13656	0.4
54.98831	0.4
57.03454	0.9
59.01383	100.0
60.01709	1.2
61.98835	8.8
61.99130	0.8
65.87280	0.4
69.56733	2.7
69.87986	0.5
70.02993	0.4
71.01383	10.7
73.02953	6.8
83.01380	2.2
85.02952	2.3
87.00906	0.6
89.02444	6.8
95.01426	0.8
97.02991	0.8
99.00888	0.5
101.02440	7.6
109.03008	0.5
113.02482	5.0
113.97782	0.5
119.03471	2.9
123.08166	0.8
125.06120	0.5
128.63460	0.4
131.03551	0.7
135.04547	0.7
138.25635	0.4
143.03568	1.1
151.00368	0.7
161.04539	3.2
167.10822	0.6
168.04256	0.5
179.05621	2.8
181.81726	0.4
189.12837	0.7
207.13980	1.5
225.14935	1.1
243.16121	1.3
273.54321	0.5
282.94684	0.5
285.04013	2.2
327.05328	0.6
331.08359	0.6
387.20139	2.5
405.21512	1.6
447.09021	0.6
447.22446	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42065	0.5
59.01368	1.9
69.34996	3.7
72.99306	6.2
75.00869	6.7
76.01203	0.6
77.10588	0.4
82.01676	0.4
103.00378	4.3
104.00758	0.8
104.03541	1.2
105.01931	100.0
106.02271	2.2
343.11325	0.6
368.93634	0.5
376.55865	0.5
420.80783	0.5
455.23486	0.5
470.55048	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00582	0.4
59.01379	100.0
60.01708	1.2
63.50078	0.4
65.05725	0.4
71.01377	9.0
71.08219	0.4
71.08540	0.5
72.99309	0.6
73.02956	1.9
83.01417	0.6
85.02969	1.8
87.00900	0.5
89.02449	11.9
97.02911	0.4
101.02443	5.1
101.68615	0.4
109.03041	0.5
113.02445	4.3
113.03074	0.4
119.03501	4.7
131.03497	0.9
143.03540	1.9
149.04665	0.7
161.04590	1.4
179.05589	5.2
249.78323	0.5
280.05829	0.4
387.20407	1.4
405.21320	0.5
435.81873	0.5
447.22940	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90923	0.2
59.01377	0.9
62.96412	1.3
71.08276	0.5
75.59154	0.3
78.95908	41.7
96.96969	2.9
107.28751	0.2
149.00099	20.8
150.00438	0.4
152.08252	0.3
158.92537	1.4
179.01163	3.1
205.15941	1.4
211.13541	0.3
240.96767	0.3
267.11536	0.6
347.08282	0.5
417.12076	0.9
420.09418	0.3
431.10355	2.5
432.10422	0.3
435.38602	0.3
439.54901	0.3
447.13437	100.0
448.13785	11.3
464.09860	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42065	0.5
59.01368	1.9
69.34996	3.7
72.99306	6.2
75.00869	6.7
76.01203	0.6
77.10588	0.4
82.01676	0.4
103.00378	4.3
104.00758	0.8
104.03541	1.2
105.01931	100.0
106.02271	2.2
343.11325	0.6
368.93634	0.5
376.55865	0.5
420.80783	0.5
455.23486	0.5
470.55048	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1298
Annotation	Siebolside A
Peak:m/z	Relative Intensity
51.02378	1.0
52.95374	0.8
59.01112	1.1
59.01380	15.8
63.33915	0.6
67.01868	0.8
69.03458	62.7
69.25514	1.1
69.25918	5.8
70.03796	0.8
71.01379	3.0
73.02925	0.7
79.01894	49.9
80.02229	1.4
81.03463	2.1
83.01379	1.0
85.02936	2.6
93.03452	0.8
95.01382	11.1
96.96026	0.8
97.02957	36.1
98.03242	1.0
101.02436	1.3
107.01395	87.9
108.02209	20.4
109.02979	3.6
113.02415	1.3
121.02969	3.8
123.00894	18.2
125.02455	57.4
126.02768	1.9
132.07738	0.7
133.02951	1.7
134.03760	1.3
135.00894	64.6
135.04482	1.4
136.01755	4.6
137.02406	2.6
143.76469	0.7
145.02861	0.7
149.02417	2.0
151.00375	74.2
152.01164	51.4
153.01965	4.8
161.04565	1.2
162.77524	0.7
163.03975	4.5
174.12396	0.7
177.01909	10.4
197.06090	2.1
198.06783	1.1
207.03020	0.8
225.05569	1.2
242.05852	100.0
243.06593	73.2
243.09262	1.7
244.07047	7.1
270.48444	0.7
285.04529	0.7
285.07617	3.3
312.97345	0.7
327.05099	2.3
339.07220	4.7
357.06238	1.3
387.10925	2.1
387.20264	0.8
447.13016	39.5
448.13361	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	447.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.4
57.03450	17.9
57.17398	1.2
59.01381	31.8
61.98826	1.2
71.01377	11.0
71.08371	1.6
73.02937	3.1
75.00897	2.0
75.11859	1.0
75.40913	1.0
83.01373	2.2
85.02956	4.5
89.02434	5.1
95.01379	6.1
96.96026	1.7
99.04530	6.0
101.02460	9.9
105.14182	1.4
108.02182	60.5
109.02988	13.5
111.00191	1.4
111.00900	20.8
113.02426	6.8
115.94047	0.9
119.03553	1.9
125.02441	4.5
135.02998	3.2
135.04494	2.0
141.01950	54.0
142.02266	1.8
149.02437	2.8
151.00337	1.2
151.04034	1.3
152.01160	100.0
153.01927	6.6
153.05556	1.2
161.04541	7.2
163.04007	3.5
163.30409	1.1
177.01888	6.9
178.80481	1.1
179.03476	2.2
179.05527	1.6
191.05679	1.2
195.06543	1.7
241.07164	3.2
285.06387	1.2
303.07294	1.6
311.05624	3.6
337.24976	1.5
387.20267	2.0
447.11450	99.6
448.11761	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41367	0.5
57.03447	0.7
59.01381	14.0
69.13451	4.2
69.13877	1.3
71.01383	8.5
73.02950	2.5
83.01388	1.1
83.88055	0.6
85.02959	4.4
89.02463	2.0
95.01417	0.9
96.96066	0.8
99.00877	2.5
101.02448	4.2
108.02172	55.3
109.02975	15.5
111.00919	0.7
113.02455	2.6
123.00889	1.1
133.02939	0.5
135.04515	0.6
141.01843	0.6
151.04018	2.4
152.01147	90.5
152.59875	0.5
153.01646	4.5
159.03000	0.6
161.04538	2.0
163.04018	2.8
177.01898	1.9
179.03479	1.1
195.06474	0.6
250.71524	0.6
271.08292	1.2
315.07306	1.2
339.86404	0.6
398.74811	0.6
447.11411	100.0
448.11685	11.3
466.33377	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48447	0.3
59.01379	8.9
60.49883	0.4
65.00313	0.6
69.29092	3.4
71.01380	1.1
80.02705	0.7
85.02956	0.4
89.02451	0.7
91.01896	13.9
92.02206	0.7
93.03456	1.0
95.01331	0.8
100.91962	0.4
101.02461	0.9
107.01388	0.5
107.05010	0.5
108.02174	15.5
109.02985	3.9
121.02966	0.9
123.00888	5.6
135.00888	13.7
136.01196	0.5
137.02454	5.0
149.02364	0.4
150.05804	0.3
152.01146	17.5
153.01457	0.5
161.04579	0.7
172.94034	0.4
197.06110	1.1
199.07718	0.6
213.05504	0.9
215.07066	0.9
225.14983	0.9
243.06602	100.0
244.06953	7.3
298.04108	0.4
299.05579	0.4
327.05069	1.0
357.06061	0.4
362.41388	0.5
386.70905	0.4
387.10837	1.4
387.20245	0.9
447.13583	2.8
447.25867	1.2
448.14404	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	26.1
61.98816	2.1
65.00315	1.1
67.62801	0.5
69.45503	3.7
71.01382	4.9
73.02927	1.5
80.02691	0.6
83.01395	0.6
85.02954	1.2
89.02435	2.3
91.01896	15.0
92.31113	0.5
95.01397	1.2
99.00873	0.6
101.02438	2.0
107.05067	0.9
108.02174	19.1
109.02958	9.3
113.02428	1.9
115.00404	1.1
119.03477	1.1
121.02950	1.1
123.00024	0.6
123.00881	6.6
124.01649	0.6
133.02945	1.4
135.00880	14.1
135.04483	0.7
136.01204	0.7
137.02428	2.7
149.02466	0.6
152.01147	17.2
153.01950	8.2
153.09167	1.4
161.02399	1.4
161.04562	1.3
165.12799	0.6
167.03456	1.0
168.22267	0.6
169.06503	0.5
170.74039	0.4
177.02036	0.5
190.96364	0.5
195.02998	0.8
197.06076	1.4
211.13394	1.7
215.07080	0.9
217.01428	0.7
225.15007	1.6
227.03436	0.7
243.06596	100.0
244.06955	8.1
255.03175	0.9
269.05515	0.8
279.05252	1.2
284.03204	1.1
285.03943	2.7
286.04465	0.6
295.02435	1.4
297.06418	2.6
298.04819	0.7
299.05634	1.7
327.05087	5.9
328.05481	1.1
329.07745	0.7
357.06088	2.7
387.11758	0.9
387.20090	2.8
394.09064	0.5
415.11530	0.9
447.08679	4.2
447.26569	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	12.9
70.84113	2.4
71.01371	2.8
73.02937	2.9
77.03949	1.7
78.53478	1.0
79.01872	1.3
80.58002	1.0
81.02208	1.0
87.64359	1.1
89.02454	1.5
93.03438	0.9
101.02437	2.5
101.89627	1.0
109.02950	2.9
113.02448	1.9
119.04971	1.0
121.02979	1.3
124.00061	0.9
133.02951	19.2
135.04512	1.9
138.80992	0.9
151.00314	1.2
159.67122	1.1
161.02483	2.1
163.00375	3.9
163.04007	3.0
165.01929	3.9
175.03989	4.3
177.01939	2.2
182.45589	0.9
199.03923	1.7
201.01895	1.4
211.04120	1.1
213.05531	1.3
225.05421	1.4
229.01335	1.1
241.05051	1.8
253.05156	1.4
254.05482	1.2
255.03059	1.2
255.06563	1.4
269.04483	2.2
284.03275	7.1
285.04007	19.3
286.04495	1.3
294.56943	1.0
297.04019	27.4
298.04752	19.5
299.05573	32.8
300.05923	2.7
309.04028	1.5
311.05609	8.6
324.02716	1.8
325.03549	2.3
327.05075	100.0
328.05417	12.0
330.03986	1.2
339.05106	12.5
341.06662	2.3
357.06155	66.3
358.06284	6.0
369.06107	3.6
371.07947	1.4
387.07138	1.3
416.69965	1.1
429.08203	10.8
430.08841	1.2
447.09311	58.3
448.09552	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	447.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	11.8
60.05370	0.3
61.98824	0.7
63.02415	0.3
65.00330	0.3
69.83017	1.6
73.02943	1.3
75.00871	0.4
78.17172	0.3
82.85159	0.3
83.01411	0.7
85.02940	1.1
89.02430	0.7
93.03480	0.6
98.20602	0.7
101.02457	1.3
107.01373	1.0
109.02935	0.6
113.02464	0.5
125.02459	0.5
133.01489	0.3
134.09186	0.3
135.00787	0.3
137.02393	0.5
147.32295	0.3
151.00359	2.3
153.01898	0.4
153.94148	0.3
158.96590	0.3
161.04564	0.3
163.00395	0.9
169.01471	0.3
171.04547	0.4
178.99846	0.4
181.12369	0.3
183.04504	1.5
185.02560	0.3
185.06110	0.5
187.03995	0.8
198.02940	0.4
211.04015	2.3
212.04483	0.6
213.05508	0.4
219.55313	0.3
225.15028	0.6
227.03500	74.2
228.03842	5.4
229.04997	2.9
239.03429	0.7
241.05000	0.4
243.12302	1.0
255.02991	92.9
256.03580	12.8
257.04407	1.5
284.03265	74.4
285.03970	29.4
286.04434	2.1
299.05588	0.6
327.05124	1.7
357.06329	0.8
370.98056	0.3
387.20264	0.8
401.69046	0.4
405.20901	0.4
447.09326	100.0
448.09695	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	447.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	9.7
61.01767	0.2
61.98824	0.9
63.02369	0.3
65.00293	0.6
71.01077	0.2
71.01377	1.9
73.02939	1.0
75.00875	0.2
77.55457	0.2
83.01378	0.5
84.31311	0.2
85.02911	0.7
87.00835	0.2
87.04469	0.2
89.02415	0.8
99.00867	0.3
101.02431	1.0
107.01401	1.5
107.44096	0.2
109.02931	0.3
113.02428	0.6
119.03462	0.5
121.02911	0.3
125.02364	0.2
133.02957	8.5
134.03250	0.5
135.04482	0.2
137.02368	0.2
146.03723	0.2
147.04549	0.2
149.02448	1.7
149.06070	0.3
151.00380	5.0
155.10757	0.2
159.04460	0.8
161.04517	0.6
171.04457	0.3
175.04001	2.4
185.06041	0.3
197.06064	0.4
198.03139	0.4
199.04034	2.3
199.07945	0.2
201.01904	0.7
203.03528	0.4
211.13367	0.4
213.05510	0.5
215.03458	0.4
217.05070	1.2
221.13191	0.2
223.03883	0.3
225.14952	0.5
227.03511	0.9
229.05055	0.4
241.05096	0.8
243.02934	0.6
255.02946	0.8
256.03738	2.4
257.04486	0.6
267.02917	0.4
284.03281	3.8
285.04041	100.0
286.04395	8.0
295.02481	0.6
296.03265	0.4
297.03922	0.4
300.02719	0.3
323.01819	0.3
327.05057	1.1
357.06183	0.7
387.20288	0.6
405.20959	0.5
447.09332	19.1
447.21329	1.0
448.09662	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	447.0719
Annotation	XL147
Peak:m/z	Relative Intensity
57.03440	2.8
58.93164	0.4
59.01376	18.4
61.98826	0.5
69.03448	0.7
70.36606	0.7
71.01382	2.5
73.02939	1.6
73.92744	0.4
73.93223	0.4
83.01389	0.5
85.02937	1.4
87.04508	0.6
89.02439	1.7
92.74294	0.4
95.01384	0.8
98.20508	0.6
99.04500	2.7
101.02421	2.4
107.01360	1.4
109.02961	1.7
113.02476	1.3
119.03551	0.6
121.02946	0.5
123.04525	4.3
124.61057	0.4
125.02443	1.7
133.03033	0.5
137.02480	0.5
151.00339	1.1
151.03972	1.2
161.04530	0.7
167.10709	0.6
183.04495	0.8
191.05592	1.2
195.04524	1.4
196.05103	0.5
197.06110	0.7
211.02261	0.5
211.03981	2.8
211.13416	1.0
212.04765	0.5
223.03986	2.8
225.14888	1.4
226.02667	0.9
227.03403	0.8
237.01833	0.6
239.03474	4.9
240.04163	1.7
241.04865	0.7
242.05841	1.5
243.06586	0.9
243.15971	0.7
251.03438	1.7
252.00557	1.0
253.01335	0.5
254.02522	0.5
255.02971	0.6
256.04330	0.4
257.04443	1.0
265.01251	0.7
266.02200	1.0
267.02948	12.6
268.03677	6.1
269.04202	0.9
281.04330	0.5
282.01657	5.0
283.02460	2.9
285.04062	1.8
286.59750	0.4
293.00873	1.4
294.01611	0.6
294.05093	0.6
295.02451	59.7
296.03125	22.2
297.03748	4.0
300.02902	0.6
309.04016	1.5
312.35095	0.4
321.03952	0.6
322.01123	0.7
323.01920	7.6
324.02338	0.6
325.03497	1.8
327.05145	1.4
328.02148	1.5
329.14856	0.4
337.03522	1.1
338.03979	0.7
357.06168	0.6
375.27341	0.6
387.20123	1.8
387.24432	0.5
403.08154	0.9
405.21191	1.4
429.06128	0.6
447.07169	100.0
447.22336	3.7
448.07513	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	447.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
69.41061	4.5
69.41399	0.7
71.01379	16.0
71.05029	0.7
71.74374	0.7
73.02920	3.6
83.01401	1.0
85.02942	6.7
87.00843	0.7
89.02427	7.6
97.03004	1.4
99.00895	2.1
101.02438	11.4
109.02959	0.9
113.02448	7.6
119.03503	2.0
121.02972	1.1
125.02424	1.0
133.02960	7.6
135.04518	0.9
138.06871	4.5
143.03531	1.3
149.02434	1.1
153.09200	20.7
159.02979	1.7
161.04541	17.8
163.00375	1.2
163.04027	1.8
175.04021	2.3
179.05661	2.1
191.03526	1.1
207.13916	1.7
225.14940	39.1
226.15344	1.5
240.04271	0.9
253.04977	0.9
269.04489	0.9
284.03217	5.8
285.04004	4.2
288.47464	0.9
297.03995	9.9
298.04776	6.3
299.05569	12.2
300.06070	0.9
311.05533	1.6
325.03644	0.9
325.21512	0.7
327.05051	57.1
328.05261	6.7
339.05188	1.7
341.06726	0.7
357.06128	19.1
358.06552	2.2
369.06155	2.4
373.97900	0.8
387.20221	20.1
388.20712	1.5
393.06262	0.9
447.09164	12.8
447.22433	1.1
448.09598	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	445.199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01696	1.3
61.98818	3.6
65.37386	0.8
68.98053	0.9
70.62762	1.7
71.01385	1.7
75.76308	0.9
77.08289	1.0
77.78971	0.9
78.95908	4.0
89.02426	1.5
101.92332	0.9
139.04254	0.9
148.87663	0.9
149.00108	7.7
151.80421	1.0
169.54236	0.9
175.82396	1.1
188.14340	1.1
189.93025	0.9
205.15953	5.7
225.92616	1.2
269.04572	2.5
274.90527	1.1
329.06772	1.3
350.84079	0.9
355.16730	24.2
356.17126	2.6
385.17896	12.2
386.18008	1.8
445.19806	3.4
445.29974	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.3
59.01379	100.0
69.03413	1.2
69.42317	8.0
71.01385	31.0
72.88622	1.0
72.99319	1.3
73.02937	8.3
83.01373	2.7
83.74740	1.2
85.02955	9.8
88.58504	1.1
89.02447	14.2
95.01383	1.5
95.12946	1.0
97.02969	2.0
98.20615	1.6
99.00860	3.4
101.02438	15.8
108.05758	1.1
113.02437	10.9
113.06034	1.3
119.03468	4.1
121.02902	1.4
125.06089	1.6
133.42014	1.1
136.05258	1.3
137.06079	3.5
138.06828	4.7
139.07639	3.3
143.03467	2.1
151.07657	8.1
152.08437	12.2
153.09216	36.8
154.09485	1.4
159.02969	3.2
161.04543	17.8
179.05569	3.1
179.10728	1.1
181.05019	1.7
185.00867	1.0
205.12341	13.0
223.13368	16.1
283.01453	1.2
385.18652	26.0
386.18900	3.8
403.19727	2.4
445.16922	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	445.236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14332	0.4
59.01373	0.6
59.70432	0.5
63.86371	0.5
70.06168	2.1
78.95908	22.2
95.25793	0.5
100.25025	0.5
104.97453	1.2
110.98540	13.9
137.00105	0.6
167.01146	13.7
185.02216	3.8
259.20847	0.5
275.19904	0.6
277.21722	100.0
278.22049	10.3
439.08221	0.6
445.23627	18.1
446.23904	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	445.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45927	0.4
57.69323	0.4
59.01376	0.9
60.30183	0.4
70.91190	1.1
71.01385	0.5
78.62519	0.4
78.95910	10.5
88.02796	0.4
110.98534	8.3
110.99265	0.8
167.01118	6.3
185.02217	3.9
233.22885	0.7
275.19937	0.5
277.21710	100.0
278.22052	10.6
363.94846	0.4
445.23621	8.7
446.24051	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
50.80278	1.3
53.62150	1.4
53.99065	1.3
57.28515	1.2
59.01385	100.0
60.01691	1.5
61.22597	1.3
61.98820	3.7
69.44262	9.7
71.01379	2.1
98.19937	2.7
115.34810	1.3
121.02974	4.3
197.11746	2.4
246.10513	1.5
291.19620	4.6
309.20694	7.7
313.07257	2.4
362.18170	1.5
425.22961	2.2
443.23676	6.6
444.24649	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	443.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.3
57.03441	0.3
59.01378	100.0
60.01710	0.8
61.98859	0.4
62.76542	0.3
64.98521	0.3
69.03455	0.3
71.01375	3.7
71.08352	0.6
73.02950	1.0
83.01383	0.8
85.02941	1.5
87.67127	0.2
89.02444	1.6
99.00844	0.4
100.22697	0.3
101.02426	1.9
106.07588	0.3
109.83648	0.3
111.00914	0.3
112.07738	0.3
113.02460	2.1
113.03237	0.3
119.03529	0.4
119.13915	0.3
125.02478	2.3
146.16026	0.3
149.95009	0.2
153.02003	1.1
161.04588	0.5
163.00435	0.4
195.03032	0.8
229.55038	0.3
237.46439	0.2
252.39140	0.3
268.00882	0.3
327.05124	0.3
327.12350	0.4
355.11880	0.5
383.24423	0.7
401.25290	2.3
405.75320	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.3
57.03441	0.3
59.01378	100.0
60.01710	0.8
61.98859	0.4
62.76542	0.3
64.98521	0.3
69.03455	0.3
71.01375	3.7
71.08352	0.6
73.02950	1.0
83.01383	0.8
85.02941	1.5
87.67127	0.2
89.02444	1.6
99.00844	0.4
100.22697	0.3
101.02426	1.9
106.07588	0.3
109.83648	0.3
111.00914	0.3
112.07738	0.3
113.02460	2.1
113.03237	0.3
119.03529	0.4
119.13915	0.3
125.02478	2.3
146.16026	0.3
149.95009	0.2
153.02003	1.1
161.04588	0.5
163.00435	0.4
195.03032	0.8
229.55038	0.3
237.46439	0.2
252.39140	0.3
268.00882	0.3
327.05124	0.3
327.12350	0.4
355.11880	0.5
383.24423	0.7
401.25290	2.3
405.75320	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	12.8
59.95819	0.9
71.01373	4.3
72.00909	3.3
73.02947	1.2
73.09783	0.9
74.02475	2.4
75.00867	64.6
76.59023	1.0
85.02921	1.1
89.02431	7.8
99.83739	0.9
101.02439	4.0
102.37743	0.9
103.00368	100.0
103.03996	5.7
104.02894	1.4
104.03540	17.8
113.02433	1.5
119.03477	2.7
127.28603	1.1
133.01395	1.3
161.29207	1.1
163.90961	1.0
179.05568	3.6
205.87155	1.1
314.52957	1.1
341.10843	12.9
342.11234	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.8
60.24520	1.2
60.38384	1.1
69.35594	9.3
71.01370	4.9
72.99075	1.4
75.00871	83.7
89.02435	6.4
103.00369	100.0
104.00732	1.7
104.03569	2.5
111.31489	1.2
113.02509	2.2
119.03477	1.3
123.76382	1.2
124.10676	1.2
129.58284	1.4
179.05623	4.7
341.10660	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	445.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91925	0.4
54.04300	0.4
55.35165	0.5
56.77023	0.4
57.03445	10.8
59.01375	13.8
59.51589	0.4
61.98798	0.5
67.01881	0.5
69.03453	0.8
69.47605	1.1
69.48016	1.8
71.01379	4.2
73.02941	1.8
74.02461	0.5
83.01381	0.6
85.02944	0.7
88.91734	0.4
89.02433	1.0
93.03460	5.5
94.42255	0.4
99.04514	4.6
101.02448	3.1
109.02919	0.6
113.02450	1.3
113.87912	0.5
115.00349	0.5
121.02945	17.4
122.47621	0.4
125.02428	2.3
128.03537	0.4
133.01428	0.6
135.04536	0.8
137.06026	1.1
139.04004	100.0
140.03320	0.7
140.04314	3.7
143.03510	0.8
161.04602	0.9
163.04018	0.7
165.01894	0.8
179.07118	1.2
181.04939	0.5
205.12305	0.6
221.08192	0.5
267.06671	0.8
269.04599	2.0
283.08240	0.6
283.11871	0.8
285.07629	0.5
301.09253	13.1
302.09628	0.8
325.09259	1.1
329.06509	1.3
329.94482	0.5
343.06543	0.5
343.10400	2.7
365.12219	0.4
383.13306	0.7
385.18689	1.3
403.19614	0.7
406.68237	0.4
427.12515	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	443.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	10.0
60.99310	17.0
61.98840	5.2
71.01392	8.9
71.16567	3.0
71.49640	1.3
73.02950	4.9
83.01385	2.4
83.76226	1.2
85.02962	5.5
88.98812	100.0
89.02477	2.4
89.99154	1.5
93.03469	2.8
101.02451	4.9
113.02441	1.7
115.00392	3.2
119.03482	1.6
119.05014	3.8
123.26199	1.3
133.01454	2.2
135.04527	3.8
163.04001	4.1
180.06735	6.1
181.07080	3.3
191.05626	68.9
192.05971	3.6
217.13393	1.4
281.10309	2.5
296.00375	1.4
327.08725	5.2
353.08746	7.4
443.19086	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	443.1555
Annotation	Hyuganoside IV
Peak:m/z	Relative Intensity
53.72074	1.2
54.10815	1.2
55.01898	1.7
57.03434	5.0
59.01381	69.8
60.97865	1.1
67.01871	1.6
69.03461	1.4
71.01017	1.9
71.01382	30.9
71.20782	1.1
71.49985	1.6
73.02946	11.4
83.01389	4.2
85.02958	10.5
87.00875	2.9
87.03014	1.1
89.02438	13.4
93.07099	1.5
99.00852	4.6
99.04517	2.4
101.02441	24.9
104.08199	1.3
109.02966	2.3
113.01853	1.1
113.02462	11.0
115.00375	1.5
119.03494	4.1
119.05019	2.0
121.02955	16.7
121.06573	1.6
123.00967	1.4
130.08699	3.2
133.01440	1.8
133.02910	1.5
135.04532	6.1
137.06100	19.1
147.04482	7.9
148.05270	1.3
155.19269	1.2
161.04527	5.7
161.06055	4.4
162.06844	1.5
163.04007	40.5
163.06300	1.6
163.07643	25.1
164.04390	2.0
164.08032	1.4
179.10663	1.3
189.05630	6.1
189.09204	3.6
203.10803	1.4
207.06517	2.0
219.10188	1.9
221.04120	2.6
221.11891	2.0
237.11214	2.3
238.68941	1.2
245.08069	2.5
263.09198	4.6
269.10245	5.6
281.10321	2.5
299.11493	6.6
401.14398	10.7
402.14651	1.8
408.21530	2.1
425.14279	4.5
443.15488	100.0
444.15808	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	443.192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.9
55.06039	0.6
55.64256	0.6
57.03444	13.7
58.00595	1.8
59.01377	100.0
60.01708	1.5
61.98836	2.3
67.01854	0.7
69.03457	1.5
71.01380	49.5
71.49216	0.7
71.49605	1.2
71.84408	0.6
72.01723	0.8
72.99302	2.5
73.02944	47.9
81.03461	1.5
83.01385	12.5
83.01833	1.2
85.02946	10.4
86.03170	0.8
87.00877	2.0
89.02444	16.2
93.03480	0.9
95.01381	3.7
95.05029	0.7
97.02941	1.2
99.00896	1.4
99.04513	8.0
99.05076	0.6
101.02438	42.3
108.02159	1.0
109.02978	0.9
113.02441	20.3
114.02872	0.8
115.00368	2.2
119.03513	6.2
119.05035	3.0
123.04512	1.7
125.02448	8.3
125.06101	0.9
129.10353	1.0
129.40800	0.6
131.03477	3.7
133.01457	3.0
135.04565	3.0
137.02486	0.8
137.06134	0.8
138.06787	0.7
143.03494	3.7
149.04585	2.2
151.07683	2.5
155.03456	0.8
155.49812	0.7
161.04565	7.3
161.09723	1.2
163.07668	1.6
164.08438	1.2
165.09221	1.8
167.03511	1.0
178.09955	0.8
179.03545	1.0
179.05626	1.9
179.10793	2.3
187.07724	1.0
188.08565	0.8
190.02727	0.8
191.07129	1.2
201.09264	0.7
203.10770	6.9
203.12546	0.9
204.11128	0.9
206.09485	6.1
219.10182	1.6
221.08492	0.8
221.11812	14.4
222.12183	0.8
232.54532	0.7
242.18820	1.1
245.11838	1.5
263.09427	0.8
263.12717	1.1
281.10220	3.9
281.17410	0.8
299.11465	2.6
327.05225	1.4
327.08765	1.0
349.92035	0.8
383.17130	2.5
443.14832	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	441.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51892	0.3
57.03453	0.4
58.83099	0.3
59.01379	100.0
60.01710	1.2
60.94875	0.4
61.01800	0.3
61.98837	0.5
63.87178	0.3
69.22227	2.7
69.22625	0.6
71.01381	6.6
72.99284	0.4
73.02945	6.2
83.01398	1.8
85.02962	1.7
86.66640	0.3
87.00871	0.5
89.02438	1.8
95.01402	0.4
95.46024	0.3
99.00925	0.6
101.02442	5.9
106.08397	0.3
113.02448	2.5
119.03523	0.4
125.09669	0.4
131.03465	0.5
143.03508	0.4
161.04567	1.3
167.06201	0.4
171.36664	0.3
175.14964	0.8
177.01927	0.8
191.05687	0.3
193.16222	0.5
205.11847	0.3
211.08574	0.3
219.13951	2.3
229.02745	0.3
237.15086	1.3
237.18661	0.4
296.37283	0.4
310.15799	0.4
381.19019	0.7
382.14447	0.6
399.20285	1.3
399.24692	0.5
412.83524	0.3
441.21228	5.0
441.26907	0.5
442.21725	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	441.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.1
59.01379	100.0
59.87100	0.3
60.01710	1.7
61.98835	0.7
69.03465	0.4
69.24963	3.4
69.67017	0.3
71.01382	7.3
71.01778	0.4
72.99321	0.8
73.02948	7.5
75.24072	0.4
83.01403	2.1
85.02963	1.7
89.02457	1.9
95.01411	0.6
99.00893	0.4
101.02438	6.0
113.02478	2.8
119.03541	0.6
121.10242	0.5
125.09681	0.5
131.78217	0.4
135.04550	0.6
151.00395	0.5
161.04593	1.2
175.14917	0.9
177.01991	1.2
213.44937	0.4
219.13901	3.6
237.14940	1.7
251.49257	0.4
381.19061	0.8
385.28018	0.4
399.20062	2.3
441.21194	5.9
442.21777	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	441.249
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
51.08607	0.4
59.01377	100.0
60.01697	1.6
61.98833	9.2
70.00172	0.3
70.36856	0.7
70.37247	0.9
71.01374	2.9
73.02964	1.2
78.95026	0.4
83.01369	0.8
83.83258	0.3
85.02934	1.8
89.02435	0.5
99.00886	0.4
101.02444	1.9
103.07234	0.4
113.02467	1.1
146.11951	0.3
161.04561	1.3
205.74631	0.4
235.76900	0.3
253.57741	0.4
356.64447	0.3
369.18732	0.5
381.23239	0.7
399.23758	2.6
400.24542	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.0784
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78019	0.5
59.01383	52.0
60.01723	1.7
61.98833	100.0
70.51810	0.9
70.52165	1.0
71.01381	4.2
73.02937	2.6
83.01407	1.1
85.02963	1.4
87.00877	0.5
89.02462	1.2
99.00842	0.5
101.02453	3.5
101.39641	0.4
113.02442	1.1
161.04587	0.7
201.09293	2.2
221.15546	0.6
239.16537	0.6
245.08226	1.4
347.05469	1.0
370.18875	1.2
374.49469	0.5
399.24304	0.7
401.21780	1.2
443.22693	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	442.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.9
59.01377	95.8
60.01715	7.6
61.01785	1.4
61.98828	4.4
71.01377	17.0
71.51181	1.7
72.01718	1.5
73.02949	11.3
75.22816	1.1
76.00283	1.6
80.21719	1.4
83.01384	4.2
85.02924	5.8
87.00893	1.9
89.02448	5.3
97.02953	1.4
101.02445	10.3
102.05574	1.4
103.46935	1.3
103.54654	1.2
113.02474	5.7
118.01343	1.4
128.03548	2.2
130.08641	1.3
135.04553	2.8
161.04538	3.3
165.04224	2.4
167.06133	39.8
168.06516	2.1
169.04057	2.0
181.07704	2.8
195.05600	4.4
195.13895	3.7
197.03288	1.8
197.07199	4.9
209.07195	30.0
210.07501	2.3
220.09769	5.3
220.14256	1.8
238.10892	1.9
239.12912	3.1
240.07776	1.3
252.07498	1.3
268.07257	2.5
269.15759	4.1
278.12958	2.0
280.14621	8.0
281.14627	1.3
292.14609	5.0
308.13992	4.9
310.15558	22.2
311.15924	1.8
312.02313	1.3
320.14020	45.3
320.17792	2.2
321.14319	4.4
338.15048	14.3
362.15176	2.1
382.14056	100.0
383.14465	11.4
394.13864	2.2
398.19736	1.4
400.15979	2.4
400.20554	1.9
401.21683	2.1
406.14133	3.9
442.16986	25.5
442.21841	2.5
443.17407	3.9
443.22833	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	441.249
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94394	0.3
53.87759	0.3
57.03447	0.5
59.01378	100.0
60.01705	1.5
61.98823	0.6
66.01354	0.3
69.21547	1.8
69.21964	1.0
71.01376	3.5
73.02949	1.0
83.01400	0.6
85.02965	1.6
87.08322	0.3
89.02462	0.8
95.01366	0.3
99.00859	0.5
101.02437	2.0
108.88963	0.3
113.02467	1.3
125.02544	0.3
135.04550	0.4
161.02449	0.3
161.04510	1.7
218.08253	0.4
268.87274	0.3
287.12885	0.3
399.24127	1.2
403.03525	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.249
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
55.58989	0.2
58.96424	0.3
58.96725	0.3
59.01376	100.0
60.01717	1.0
61.98831	0.5
69.23916	2.0
69.24322	0.6
71.01373	1.9
73.02950	0.6
73.64313	0.3
85.02950	0.7
89.02478	0.5
101.02437	1.7
113.02454	0.7
121.48746	0.3
131.97589	0.3
161.04688	0.4
168.86070	0.3
219.56067	0.3
293.24930	0.4
399.24115	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.203
Annotation	Grandilodine A
Peak:m/z	Relative Intensity
54.20350	1.0
57.75640	1.0
71.12933	2.3
77.72377	1.0
79.95716	1.3
96.95995	4.6
101.06078	3.8
196.11301	1.4
207.26918	1.0
209.92010	1.0
216.30792	0.9
238.15927	1.4
254.15477	11.0
255.15605	1.0
278.11899	2.6
287.47375	1.0
294.14938	5.6
297.02505	1.0
333.17233	2.8
348.19635	3.0
350.17618	1.5
381.20901	1.5
384.13156	2.3
385.13931	1.5
441.20255	100.0
441.25046	4.6
442.20578	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	441.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.8
59.01374	100.0
60.01707	1.5
61.98825	1.9
69.03448	0.7
71.01375	20.7
71.50965	0.9
72.99309	1.5
73.02939	20.2
83.01380	7.5
85.02948	3.2
87.00848	0.6
89.02436	5.4
97.02939	0.7
99.00907	1.1
101.02434	18.7
107.01353	0.5
113.02447	6.5
119.03482	1.9
121.10201	0.6
125.02472	1.1
131.03484	1.4
135.04616	0.8
143.03471	0.9
155.03453	0.8
161.04539	2.2
162.02272	0.7
164.22237	0.6
165.04286	1.0
175.14890	1.9
219.13860	5.4
220.09830	2.9
237.14932	1.2
238.10893	1.0
315.82999	0.6
363.26163	0.6
381.19009	2.2
382.14301	0.8
399.20145	4.0
400.15863	1.5
400.20715	0.7
441.21231	19.0
442.16837	12.8
442.21808	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	441.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.9
55.98541	0.5
57.03456	2.7
58.00595	4.3
59.01379	100.0
60.01708	1.4
66.43041	0.5
67.03023	0.5
69.68783	3.8
71.01379	57.1
72.01732	1.2
72.99295	4.3
73.02959	4.8
78.75623	0.6
79.31577	0.6
82.95474	0.6
83.01379	3.1
83.05020	0.9
85.02948	11.3
87.00877	2.9
89.02443	56.8
90.02807	1.0
93.03457	1.4
95.01392	4.1
97.02960	1.9
98.20729	0.7
99.00872	2.0
101.02440	36.1
107.05040	1.2
109.02952	7.4
109.06633	1.3
113.02448	21.5
115.00378	1.1
119.03495	22.9
121.02908	1.2
121.06626	0.8
122.03737	1.5
124.05265	1.3
125.02485	1.0
127.05089	0.8
131.03506	2.4
133.01451	0.7
133.06596	13.7
134.06955	0.7
135.04535	2.6
135.08167	0.8
137.06070	1.9
139.07651	13.6
140.07986	1.0
143.03502	3.3
149.04572	1.4
149.06090	3.4
151.07635	0.8
159.03159	0.9
161.04565	7.8
163.07631	1.0
169.08698	2.2
179.05608	5.2
187.11342	1.2
199.11272	1.2
201.09320	0.9
202.09950	1.0
204.11545	1.2
205.12289	3.6
217.00018	0.6
217.12282	3.0
218.12762	0.7
235.13345	3.3
239.07224	0.7
261.11273	0.8
281.08209	0.8
325.03110	0.7
325.07126	1.1
330.13184	25.0
331.13898	15.0
332.14307	0.7
379.18127	0.7
397.18631	5.9
441.17661	70.0
442.18008	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1762
Annotation	Lusitanicoside
Peak:m/z	Relative Intensity
54.15950	0.8
54.40413	0.8
55.01876	1.5
57.03437	3.4
58.00588	4.2
59.01378	100.0
60.01727	1.8
62.39367	0.8
69.37177	0.8
71.01382	61.0
72.99290	4.3
73.02932	3.9
74.02459	0.9
83.01390	3.3
85.02955	12.3
87.00877	3.3
89.02444	56.5
89.27238	0.9
90.02782	1.2
93.03443	0.8
95.01386	4.5
95.05003	1.0
97.02930	2.2
97.78801	0.8
98.20783	1.2
101.02438	39.4
107.04988	1.3
109.02947	8.9
109.06602	1.3
113.02447	22.8
119.03492	27.1
120.03910	1.1
121.06669	2.0
122.03759	2.0
124.05247	2.0
125.02467	1.2
131.03484	2.1
133.06584	14.1
135.04543	1.2
137.06071	2.6
139.07643	15.7
143.03511	2.5
147.08113	0.9
149.04607	2.1
149.06058	2.5
150.06802	1.2
151.07628	1.1
152.84734	0.8
161.04556	8.8
163.07547	1.1
168.32045	0.8
169.08708	2.6
179.05582	4.0
187.11221	1.5
201.17949	0.8
204.11566	1.7
205.12360	5.6
217.12268	6.0
229.44666	1.2
235.13373	2.7
261.11285	1.6
262.12036	1.0
279.12250	0.9
325.07147	1.0
330.09216	1.6
330.13184	28.8
331.13898	13.4
332.14523	1.4
379.17685	1.3
397.18643	6.1
438.61063	0.9
441.17630	74.1
442.17923	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	439.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18897	0.4
57.03437	0.7
59.01377	100.0
60.01705	0.9
61.98825	2.5
69.03450	5.5
70.88242	1.3
71.01383	4.0
72.99297	0.6
73.02966	1.7
83.01402	0.8
85.02962	1.7
89.02452	1.3
96.96024	4.0
97.02957	1.0
99.00874	2.1
101.02411	2.3
102.65599	0.5
109.02954	1.1
113.02445	2.2
115.00397	0.9
122.90925	0.4
133.01433	0.5
135.04552	0.6
137.02596	0.5
141.01974	0.4
145.10123	0.4
157.03001	0.9
161.02509	0.8
161.04630	0.8
163.04082	0.7
185.00871	2.9
185.02385	0.6
191.05623	0.7
217.05061	1.1
231.10265	0.6
277.11359	0.5
343.41144	0.5
397.22644	0.6
439.10721	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	441.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11506	0.3
56.34138	0.3
59.01371	1.4
61.98812	0.5
69.66887	1.3
69.67299	0.7
71.01379	8.7
88.98808	0.3
90.46779	0.3
93.03435	0.5
98.20631	0.6
102.32528	0.3
102.94043	0.3
115.00369	8.1
118.06664	0.3
119.05023	83.8
120.05366	3.2
133.01422	0.9
133.02953	0.5
135.04547	1.6
146.06110	0.3
162.50563	0.3
163.04004	100.0
164.04330	5.4
170.03714	0.3
178.26881	0.3
179.03415	1.8
180.06802	0.5
180.29778	0.3
181.32156	0.3
203.85127	0.3
235.09656	0.4
325.09232	13.0
326.09650	1.1
441.10110	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84344	0.5
57.96180	0.4
59.01383	100.0
60.01719	1.1
61.98826	0.9
69.43447	1.4
69.43875	1.8
71.01391	2.9
73.02951	2.5
81.03483	0.7
83.05042	2.1
85.02944	0.7
89.02457	0.7
99.00210	0.5
101.02438	2.2
106.20103	0.5
113.02486	1.5
146.06172	0.8
162.02272	0.6
186.05618	1.1
200.07335	0.6
218.08229	7.3
243.17186	0.5
253.33873	0.5
279.74002	0.4
349.26804	0.5
395.21481	0.6
439.20554	2.9
440.16016	1.0
440.31476	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	439.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.3
58.74621	0.2
58.74918	0.2
59.01382	100.0
60.01735	1.0
61.98851	0.2
69.03485	0.2
69.23860	1.4
69.24259	0.5
71.01379	2.4
73.02963	1.1
83.01395	0.5
85.02959	1.2
89.02452	0.2
93.81815	0.2
94.93150	0.2
101.02458	1.8
113.02513	0.9
119.73946	0.2
143.03589	0.2
147.68454	0.2
161.04517	1.0
210.47617	0.2
217.08727	0.2
379.21530	0.6
397.22330	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	439.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	0.4
59.01377	100.0
60.01719	1.2
61.69658	0.3
61.98830	1.4
69.40794	2.3
71.01380	2.7
73.02929	1.8
82.34396	0.3
85.02961	0.9
89.02450	1.0
93.28181	0.3
96.95996	0.4
101.02434	2.5
112.82398	0.4
113.02454	1.1
118.26921	0.3
119.03535	0.7
130.50876	0.3
135.04449	0.4
161.04634	0.9
167.53703	0.4
222.14340	0.3
235.13361	0.5
439.20834	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	439.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86643	0.5
54.64073	0.4
59.01376	100.0
60.01715	0.8
64.29522	0.4
70.99490	0.9
71.01377	4.7
73.02944	4.7
83.01391	1.4
85.02976	1.7
89.02450	1.6
93.41194	0.4
95.01401	0.5
101.02448	3.7
113.02467	1.6
119.82956	0.4
161.04562	1.0
173.13403	0.5
260.81036	0.4
397.22556	1.5
405.10083	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1763
Annotation	Sophoraflavanone D
Peak:m/z	Relative Intensity
57.03455	13.8
58.68893	1.0
59.01379	22.8
60.29563	1.0
60.81949	0.9
61.98824	1.8
65.80989	1.0
71.01383	2.6
71.51641	1.0
76.46827	1.0
81.03417	0.9
83.01385	2.8
85.02972	1.9
85.87514	0.9
96.95998	7.2
96.96958	1.2
101.02433	1.7
107.01404	1.1
113.02452	1.8
125.02450	100.0
126.02796	3.6
146.87759	0.9
151.00388	3.2
184.71812	1.0
193.08719	2.2
212.76970	1.1
235.17050	1.1
268.03809	1.8
281.04559	15.5
282.05164	7.3
283.06110	1.1
293.04626	6.7
307.06174	1.3
313.14804	1.0
314.04419	2.0
332.37701	1.1
351.12317	3.7
363.12396	1.0
411.18051	2.0
439.17664	81.6
440.17923	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	438.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.9
59.01070	2.3
59.01377	69.8
61.98827	100.0
69.31572	9.2
71.01369	5.7
73.02940	2.5
80.65556	1.0
83.01387	1.5
85.02921	1.3
89.02419	1.2
101.02431	3.0
107.76154	1.1
113.02430	1.3
118.91460	0.9
229.74844	1.0
375.20108	6.9
397.22565	1.5
438.20349	4.3
439.19882	2.0
462.08606	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	439.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80821	0.3
61.66389	0.3
70.00082	0.3
71.16289	0.7
78.95897	5.7
79.95728	2.1
96.96010	100.0
96.96919	11.8
97.72108	0.3
97.95975	0.5
116.56657	0.3
117.27185	0.3
129.57259	0.3
169.40028	0.3
173.64133	0.3
179.71796	0.4
207.01595	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.161
Annotation	[3aR-(3aR*,5E,7R*,9Z,11aR*)]-2,3,3a,4,7,8,11,11a-Octahydro-7-hydroxy-6-methyl-3-methylene-2-oxo-, beta-D-glucopyranosyl ester cyclodeca[b]furan-10-carboxylic acid
Peak:m/z	Relative Intensity
54.00784	0.9
55.41430	1.2
57.03443	2.3
58.00592	3.9
59.01379	100.0
61.83412	1.1
61.98825	2.9
65.56915	1.3
69.32773	9.1
71.01382	46.3
72.99309	3.2
73.02940	3.4
84.07706	1.3
85.02949	11.8
87.00879	2.5
89.02447	45.7
95.01401	3.1
96.96021	2.1
97.02956	1.1
99.00869	1.8
101.02444	29.3
102.02813	1.7
113.02441	16.0
115.00323	1.5
119.03495	20.9
121.03068	1.3
123.49180	1.2
133.02974	5.7
134.03757	8.6
135.04550	1.6
147.04517	1.9
149.06070	12.1
150.83853	1.1
157.02913	2.9
161.02446	28.2
161.04457	2.0
162.02800	1.6
163.04182	1.4
179.05597	1.6
185.02385	3.3
192.04216	2.3
193.05028	9.5
199.07605	11.6
200.08275	2.3
211.03984	8.4
212.04805	2.3
215.10770	2.6
217.05103	7.2
217.08798	1.3
227.07132	31.6
228.07434	4.2
242.10384	1.2
245.08125	4.1
259.09744	29.9
260.10144	3.4
277.10794	3.5
277.32031	1.2
361.28763	1.1
395.21893	1.3
439.16040	78.4
440.16241	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	437.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.4
59.01379	11.0
61.98818	0.6
62.96436	0.2
69.70383	1.6
71.01377	2.1
73.02943	0.8
78.95902	38.3
85.02942	0.5
89.02451	1.2
96.96959	100.0
99.00862	0.3
99.04519	2.0
101.01873	0.3
101.02453	1.5
108.02168	0.4
109.02972	0.5
113.02446	0.7
115.00375	0.3
115.92025	0.4
119.03541	0.3
122.03707	0.3
125.02449	0.9
133.01433	0.4
134.98512	0.4
135.04485	0.3
138.05617	0.5
144.08206	0.5
149.02406	0.8
150.03189	0.3
151.03960	0.3
152.01180	0.3
157.07664	0.3
162.97997	1.0
163.04022	0.5
165.05502	0.4
167.03442	0.9
169.07649	0.4
180.99071	25.4
181.99353	0.7
184.08817	0.8
185.07233	0.3
195.00633	4.6
196.01025	0.3
197.08282	0.3
198.06694	1.3
211.82912	0.2
212.08290	6.8
213.08638	0.5
232.69727	0.3
241.07297	3.8
242.07645	0.3
244.68892	0.3
255.08876	10.9
255.11217	0.6
256.09183	0.6
275.05557	0.3
276.08759	0.3
335.16913	0.3
347.07813	0.5
377.17950	0.5
377.22003	0.4
419.07657	0.3
437.08633	12.8
437.14691	0.8
438.03561	0.3
438.08313	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	435.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69591	0.2
54.45440	0.2
54.48814	0.2
57.03444	0.9
59.01379	23.3
60.01702	0.2
61.98816	0.4
62.22671	0.2
69.03446	0.4
71.01381	2.4
71.50690	0.2
73.02953	1.5
83.01398	0.2
85.02958	1.5
87.04514	100.0
88.04846	2.2
89.02467	0.3
95.01406	0.3
99.08132	0.3
101.02443	0.7
103.04010	5.9
113.02467	1.4
152.08411	0.4
152.56097	0.2
155.87578	0.2
161.04575	0.4
161.11867	0.4
211.13388	0.3
223.70001	0.2
244.04800	0.2
247.59018	0.2
273.20935	0.3
305.15976	1.6
335.91711	0.2
365.18137	0.2
393.21414	0.5
435.26144	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	436.1874
Annotation	Aranochlor B
Peak:m/z	Relative Intensity
50.39817	0.6
50.64606	0.6
59.01374	8.0
61.98824	1.8
69.03463	0.9
71.01380	1.9
71.51440	1.2
89.02436	0.8
101.02361	0.6
122.06113	1.1
168.06683	0.8
196.06366	1.8
210.08043	3.8
211.08780	10.3
212.09009	0.7
217.09784	3.5
223.12402	1.2
224.05922	0.9
225.10287	13.0
226.10654	0.9
227.11862	1.0
237.06783	1.1
238.07428	6.9
239.08203	6.8
239.11958	1.7
240.08942	1.8
241.13336	0.8
243.11285	2.0
253.09805	12.4
254.10165	1.6
257.48218	0.7
267.11353	9.9
268.12122	29.4
269.12869	11.1
270.13147	0.8
281.13034	0.9
300.11139	34.3
301.11490	3.6
319.14401	1.4
320.14050	0.7
321.15979	1.0
333.16113	1.0
334.68771	0.7
348.13550	5.7
349.19321	1.4
364.16678	5.3
376.16635	4.0
392.19791	30.5
393.19949	4.0
418.17642	5.0
419.18073	0.9
436.18735	100.0
437.19025	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	435.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46360	1.2
54.25677	1.6
55.01882	1.5
57.03429	1.7
58.99603	19.1
59.01376	54.3
61.98832	2.2
66.19288	1.5
69.14790	13.0
71.01379	23.2
72.99318	1.8
73.02921	7.5
75.00858	5.0
80.87950	1.3
83.01386	2.1
83.05044	2.5
85.02952	10.3
87.00867	26.5
89.02427	5.5
95.01364	1.4
99.00863	3.3
101.02453	12.1
102.98589	100.0
103.98926	1.4
105.21813	1.2
113.02430	10.2
119.03470	2.1
120.99612	1.4
122.78526	1.1
125.02441	1.2
135.04495	1.3
139.11292	25.2
140.11661	1.2
140.17163	1.4
146.96394	1.3
153.01855	2.3
161.04562	7.8
176.03955	2.1
179.05531	1.7
185.10112	1.7
205.07045	1.6
231.13205	1.3
249.06131	15.8
283.04904	77.0
284.05301	6.6
300.11182	1.4
392.19577	2.5
435.16776	2.0
435.30029	3.4
436.18433	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2234
Annotation	HC-toxin
Peak:m/z	Relative Intensity
55.01875	1.7
57.03431	1.5
58.00577	0.9
59.01379	29.7
59.98524	0.8
61.98820	1.5
64.07578	0.6
69.34447	3.7
69.34869	1.4
71.01381	18.0
72.99296	1.0
73.02946	10.7
83.01385	6.3
85.02950	55.5
86.00094	1.8
86.03288	1.6
87.00883	1.9
89.02454	1.9
95.01362	1.2
99.00862	4.7
101.02440	18.7
111.00879	2.0
112.01655	0.6
113.02444	7.8
129.02002	0.8
141.01956	0.7
142.24796	0.8
152.63419	0.8
159.03023	1.2
161.04544	2.5
165.01962	1.5
167.58105	0.7
169.44476	0.7
179.03583	0.8
180.04321	1.0
187.13399	0.9
195.06589	1.4
206.18657	0.7
211.17058	1.2
225.07758	1.2
242.28020	0.6
243.12386	0.9
257.86734	0.7
267.07101	0.7
349.18655	7.4
373.22189	1.8
391.23413	3.1
400.27411	0.7
417.21207	4.7
435.22342	100.0
436.22815	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55158	2.8
59.01381	5.4
61.96195	3.0
68.35201	2.9
71.01394	6.3
71.38222	6.5
87.00896	5.1
96.96001	3.2
121.02976	4.7
149.02438	24.9
150.03223	54.3
161.04506	7.0
164.04782	17.2
165.05573	100.0
166.05919	5.0
195.06575	20.7
243.54691	2.7
246.60278	3.0
327.10788	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	435.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77854	1.4
59.01378	61.8
60.01691	1.6
71.01383	12.1
71.42168	1.5
73.02944	23.7
82.71455	1.5
83.01385	1.7
85.02944	3.8
88.04063	2.0
88.56799	1.4
89.02442	4.5
91.78111	1.3
96.74139	1.6
99.00916	1.4
101.02427	8.0
109.02940	1.6
113.02424	4.7
116.92834	2.4
119.03458	1.6
125.02383	1.5
133.12535	1.5
135.04527	1.8
136.01668	3.2
137.02438	16.4
151.04001	5.2
161.02382	4.7
161.04500	2.3
163.03984	2.1
164.01245	1.9
165.01927	100.0
166.02257	4.7
176.04784	2.4
179.03484	38.6
180.04271	64.6
181.04611	2.4
194.05817	11.8
195.03003	2.4
195.06610	77.9
196.06880	5.5
209.08203	13.0
210.05336	11.8
210.08524	1.8
225.07671	50.3
226.07930	2.6
247.24382	1.3
313.05646	1.7
315.07089	1.8
329.95984	1.4
357.09705	5.4
358.09955	2.1
372.12067	5.4
375.16354	1.7
387.14536	23.4
388.14713	2.2
435.10840	2.0
435.22412	30.8
436.07077	2.0
436.22174	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	435.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82034	9.7
58.53006	9.1
59.01373	44.8
59.54441	9.4
61.98829	24.9
70.71857	21.3
71.01382	17.9
96.96033	12.5
96.99309	13.4
129.01926	29.2
133.02946	36.7
137.02454	16.2
157.02936	100.0
164.01726	19.2
173.02464	14.0
174.72137	11.1
185.02353	84.3
197.02545	10.8
201.01915	22.1
205.15048	10.5
217.04994	48.1
225.01942	13.8
238.02870	13.4
286.16483	10.7
291.06702	56.9
291.19675	12.8
299.07156	22.6
327.06622	24.3
342.40378	10.5
343.06125	13.8
353.10165	82.0
371.05588	71.8
403.08182	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45846	0.6
59.01367	2.8
61.98819	1.9
70.55890	1.2
71.55904	0.7
81.47237	0.6
96.96008	0.8
117.03452	2.0
123.04501	2.2
128.34726	0.6
129.03468	1.0
133.02953	30.2
134.03264	0.9
147.04491	0.7
157.02945	29.2
158.03377	1.0
159.04468	1.3
169.02992	4.7
173.02423	5.5
181.39049	0.6
185.02426	15.9
186.02783	0.7
187.04015	1.4
190.84225	0.6
197.02448	7.8
198.03047	1.2
201.44061	0.7
211.03960	1.0
213.05536	2.2
217.04991	6.1
221.06181	0.9
223.03999	0.8
225.01926	16.4
226.02243	0.9
229.06645	1.2
233.06096	1.1
235.07628	1.2
238.02689	6.3
245.06023	3.2
249.05594	1.2
257.04520	10.5
258.04675	0.8
261.05411	0.8
263.07104	2.8
273.05576	15.7
274.05847	1.7
285.05551	0.9
287.06830	0.9
289.05057	2.2
291.06610	100.0
292.06976	9.8
297.05527	1.9
299.06927	4.6
315.06589	6.3
325.05029	2.5
327.06583	9.6
329.04526	2.0
341.04526	3.8
343.06094	8.3
353.04636	1.3
359.09354	3.1
360.09167	0.7
370.04614	0.9
371.05579	60.1
372.05844	8.7
403.08160	13.4
404.08664	1.8
435.10770	18.4
436.11108	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95530	1.7
56.66463	1.7
57.07660	1.7
59.01379	100.0
61.37711	1.6
61.98830	2.8
64.45148	1.9
67.00143	1.9
71.01383	4.4
71.49661	1.7
71.50135	3.1
96.96057	2.2
100.40347	1.7
116.78831	2.0
272.97769	1.8
299.99359	2.9
374.24246	10.6
394.96051	1.9
433.26062	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	434.1219
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82721	0.5
57.03445	1.2
59.01380	9.6
59.28578	0.4
61.98836	1.7
66.83394	0.4
67.06366	0.4
69.03460	3.0
71.01374	5.0
71.51185	0.6
71.51537	0.4
72.99315	0.7
73.02942	1.1
81.03435	1.1
83.01407	0.8
85.02974	1.0
87.00893	0.6
87.04498	0.8
89.02438	0.8
89.03960	2.1
93.03468	0.5
94.79826	0.5
97.02960	1.0
97.06586	0.7
99.00885	1.1
99.04514	0.9
101.02462	1.4
102.04780	0.5
103.05546	2.2
105.03448	3.7
108.77296	0.4
109.02938	0.5
110.00254	0.5
113.02455	0.8
115.00388	1.1
122.06123	1.9
123.04557	0.5
124.07716	0.9
125.02443	0.5
125.06107	0.5
130.04247	9.5
131.04993	0.8
133.01450	0.9
133.02948	10.0
134.03397	0.5
134.60292	0.4
135.04523	1.7
137.02379	0.6
145.02768	0.5
148.01637	0.7
148.04018	1.1
149.02393	0.9
149.04333	0.6
149.06065	3.4
150.05519	0.6
155.10777	0.6
159.04507	70.2
160.04871	6.8
176.01192	2.1
177.01924	100.0
178.02269	7.5
179.02359	0.5
181.12361	0.6
185.00958	1.1
199.09746	0.9
203.03491	20.4
204.03937	2.4
219.02979	2.8
260.07971	1.4
267.08734	0.7
274.12747	0.8
292.13876	1.4
318.11771	0.5
335.12589	1.0
336.12915	2.5
382.27576	0.5
433.25818	1.3
433.31863	0.5
434.26147	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	433.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18967	0.2
55.01882	0.3
57.03449	0.6
59.01377	100.0
60.01711	1.2
61.01792	0.2
61.98835	0.3
65.00333	0.7
68.66726	0.2
70.27204	0.8
71.01381	4.2
73.02944	1.7
83.01399	1.3
85.02945	1.9
89.02441	1.9
95.01383	0.4
97.76064	0.2
99.00887	0.3
99.04568	0.3
101.02444	3.0
107.01398	0.9
113.02446	3.4
119.03552	0.3
119.05077	0.3
120.64772	0.2
131.01372	0.2
133.01405	0.2
135.04570	0.7
136.04866	0.5
143.03493	0.5
143.04977	0.4
145.02953	1.4
151.00359	1.8
161.04587	1.3
161.06050	0.3
169.42331	0.3
171.25085	0.2
175.00327	0.4
185.06094	1.1
229.05045	9.4
229.07230	0.5
229.14449	0.3
229.18071	1.5
230.05521	0.8
253.05090	1.3
267.06726	0.3
271.06284	0.8
271.10907	0.3
283.06104	0.3
335.17059	0.4
373.22226	3.7
374.22580	0.4
391.19083	0.4
391.23386	2.3
391.27524	0.2
392.24136	0.3
433.11093	0.5
433.19955	1.5
433.28952	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46078	0.5
59.01387	1.0
64.10831	0.6
71.01402	0.7
72.99277	0.6
79.01898	0.8
89.02466	1.0
89.27518	0.6
97.02959	0.8
123.00883	8.8
124.01668	30.1
125.02463	22.2
130.57697	0.7
144.61746	0.8
149.99588	37.5
151.00032	2.0
157.40562	0.8
167.03502	0.7
168.00642	94.9
169.01224	5.4
179.03470	0.8
183.08400	0.6
213.26305	0.6
257.06720	1.0
283.04630	0.8
301.05658	3.5
414.71082	0.6
415.08972	1.5
426.41959	0.7
433.09857	100.0
434.10144	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	433.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.6
57.03432	4.4
59.01384	97.3
61.98837	3.3
69.36392	18.9
71.01385	69.0
73.02956	19.1
77.14375	2.1
83.01388	9.8
85.02953	28.3
87.00860	3.1
89.02443	9.7
95.01376	6.6
98.20685	4.0
99.00876	8.8
99.74780	2.0
101.01803	3.1
101.02443	42.6
107.24574	2.1
113.02450	30.3
115.00336	2.3
119.03484	3.7
119.08630	2.5
125.02467	4.5
133.01376	3.3
135.04588	3.1
137.02524	2.0
137.09680	5.6
143.03461	4.8
159.02953	5.4
161.04562	71.6
163.05289	2.1
168.00606	4.9
174.36957	2.7
181.08710	95.1
182.09007	6.5
184.63303	2.4
205.03537	2.6
211.09679	2.2
235.50931	2.3
373.15039	100.0
374.15277	9.8
433.09552	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.208
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56243	0.3
57.03453	8.0
59.01384	100.0
60.01711	1.1
61.19063	0.4
69.83039	2.0
71.01405	1.7
71.20049	0.4
73.02965	1.3
80.08434	0.4
84.11388	0.4
89.02459	0.9
91.86933	0.4
99.04527	7.5
101.02440	2.4
113.02484	0.7
119.81977	0.4
125.02467	2.4
134.05798	0.4
138.80173	0.4
161.04593	0.7
224.51700	0.5
235.06265	0.5
241.14566	0.6
271.02481	0.5
271.05948	0.4
300.02805	1.0
301.03659	0.9
315.18567	0.4
367.43527	0.4
433.08350	0.7
433.21140	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99566	0.5
59.01377	1.7
69.03458	0.6
71.01381	1.2
71.48591	0.8
79.19363	0.6
82.13247	0.5
89.02454	2.6
95.01416	0.9
107.01388	1.0
109.02977	0.5
123.00890	7.5
124.01672	27.7
125.02465	23.8
126.02834	0.9
149.02492	0.9
149.99594	36.4
151.00444	3.5
152.77718	0.6
167.03513	0.9
168.00653	100.0
169.01180	6.6
179.03377	0.5
182.78516	0.6
201.11285	0.6
240.92163	0.6
257.06534	0.5
301.05670	2.8
338.11700	0.5
340.86932	0.5
415.08743	1.2
433.09875	97.1
434.10162	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	431.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.42691	0.6
69.33880	5.0
71.01389	4.7
73.02962	1.2
81.70773	0.7
88.02776	0.7
89.02428	4.8
98.19875	0.7
101.02446	2.3
109.85210	0.7
113.02472	2.4
119.03490	1.7
145.06271	0.8
161.04578	0.8
173.02501	1.9
174.03207	4.5
179.05641	0.9
189.05559	3.1
227.07233	1.1
233.04533	9.7
233.06639	0.9
234.05067	1.1
283.06180	2.5
311.05701	3.5
341.06973	1.0
389.21881	0.9
395.09750	1.0
431.10025	2.0
431.18942	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	432.0782
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.6
59.01377	4.4
61.98828	100.0
64.00728	0.3
69.12916	1.4
69.13347	2.4
71.01388	2.7
73.02942	0.8
78.52862	0.3
85.02974	0.6
87.00877	1.6
87.05651	0.6
88.98811	1.1
89.02435	0.9
95.01394	0.4
101.02489	0.8
109.02963	0.4
111.50557	0.3
113.02522	0.6
113.03558	0.4
115.00379	3.4
125.02466	1.0
128.03497	0.5
129.06735	0.5
133.01425	1.2
135.04530	2.4
161.04651	0.4
168.00604	0.4
175.02470	9.2
175.04015	0.7
179.03516	1.6
179.05351	0.3
183.66309	0.4
210.05545	0.8
216.25351	0.4
227.61702	0.3
240.61084	0.4
324.08438	0.4
388.18896	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86026	0.2
57.03448	0.6
59.01370	2.8
61.98829	100.0
63.66034	0.3
71.01386	2.0
71.49674	0.5
85.02958	0.3
87.00887	1.2
88.98833	0.5
89.02409	0.3
101.02450	0.5
109.02973	0.4
113.02501	0.5
115.00368	3.6
125.02428	0.3
128.45726	0.3
135.04488	0.4
167.92477	0.3
169.49490	0.3
175.02480	9.4
175.04012	0.5
179.03543	0.4
180.03850	0.3
210.05589	0.3
226.57771	0.3
239.93076	0.3
239.95395	0.3
333.18884	0.3
432.21924	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.5
59.01368	4.6
62.72680	0.9
71.01395	4.7
71.49090	1.7
74.33350	1.0
85.02915	1.1
96.99309	10.0
101.03963	2.8
117.03446	1.4
119.05018	2.6
129.01941	17.5
129.03467	3.2
133.02911	2.3
147.04536	5.0
148.01651	3.6
157.02948	98.3
158.03282	4.7
159.04497	1.8
172.01646	2.4
173.02441	3.7
176.01109	3.2
185.02437	100.0
186.02748	6.6
187.03983	2.8
191.03522	10.0
197.02431	2.3
200.01155	1.3
201.01953	24.3
202.02292	1.9
203.83163	1.3
203.90457	0.9
215.03546	8.1
217.05051	43.1
218.05377	2.9
225.01910	2.4
228.04268	3.4
229.01476	2.1
232.03709	3.5
241.01553	1.0
247.06088	7.3
272.03067	2.3
285.05600	2.5
287.05493	1.5
289.05072	2.9
301.04874	1.3
304.03687	1.7
306.05365	1.9
313.04977	4.2
314.05878	5.6
315.06195	1.8
316.03754	1.1
319.05908	1.1
321.07672	21.3
322.07971	2.0
329.04468	2.7
329.08032	2.4
331.06027	2.7
341.04498	12.2
342.05219	6.3
344.03226	1.9
357.03943	3.0
357.07828	2.5
358.04645	2.6
359.05597	3.8
369.03961	13.8
370.04022	2.5
373.06964	1.5
386.04306	16.1
387.04587	2.1
401.06635	24.4
402.06931	3.8
415.04587	1.5
433.09937	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	431.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.0
57.03456	2.4
58.00591	0.7
59.01377	100.0
60.01716	0.6
61.98836	0.6
65.52091	0.4
71.01379	25.4
71.05013	0.7
72.99313	0.7
73.02940	10.1
75.00880	0.7
81.03477	0.5
83.01385	3.3
85.02947	10.0
87.00883	1.9
88.98819	0.4
89.02433	6.5
89.02937	0.5
95.01363	2.3
97.02933	0.6
98.07623	0.5
98.19868	1.4
99.00876	2.3
101.02438	17.1
113.02441	10.1
118.35729	0.5
119.03519	3.2
121.06557	0.7
125.02422	1.0
135.04494	0.7
137.09721	1.1
143.03520	2.1
151.11473	0.5
153.09247	1.0
159.03026	2.0
161.04559	17.0
161.05910	0.9
162.04904	0.5
165.12833	4.2
179.05615	1.6
203.05534	2.9
207.13939	0.8
209.15509	3.2
227.16524	3.6
229.41634	0.5
248.33354	0.5
254.07732	0.5
283.06223	1.7
311.05585	4.4
312.05807	0.6
341.06815	1.1
371.20728	6.8
371.24982	0.7
372.21042	0.8
384.21869	0.5
389.21805	11.2
390.22333	1.3
431.09818	1.3
431.22372	2.2
432.29474	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.5
57.03442	0.9
58.00597	0.8
59.01379	100.0
60.01715	1.4
61.01811	0.4
61.98837	2.7
63.99278	0.7
69.03476	0.5
69.33089	1.5
69.33524	1.4
71.01383	16.5
72.01734	0.7
72.99315	0.7
73.02947	11.1
83.01385	2.6
85.02937	4.1
87.00919	0.6
89.02446	7.3
93.03422	0.4
95.01404	1.1
99.00890	0.8
99.04573	0.4
101.02446	11.1
101.03109	0.5
108.08298	0.4
113.02447	10.7
117.03493	1.5
119.03497	2.6
124.60110	0.3
125.02449	1.0
131.03526	1.0
135.04565	0.7
137.02492	0.4
139.46573	0.4
142.97696	0.3
143.03552	1.1
149.04556	0.6
153.09242	0.7
161.04550	4.3
163.04108	0.4
179.05656	0.8
210.44389	0.3
215.55843	0.3
227.16533	3.4
253.04788	0.4
269.04657	0.7
271.05975	0.3
283.06119	5.0
311.05630	7.5
312.06070	0.5
315.05130	1.8
341.06693	1.3
371.20667	5.6
372.21182	0.7
389.21661	4.7
413.75171	0.4
431.09943	3.7
431.23163	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2197
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
57.12553	0.5
59.01372	5.0
71.50111	0.7
75.00471	0.5
75.00871	2.6
78.95903	70.8
80.04507	0.6
88.98808	1.0
91.75703	0.6
96.96023	0.7
96.96950	4.9
99.21809	0.6
115.38375	0.6
150.97992	1.7
152.99580	100.0
153.99905	1.4
154.77383	0.6
171.00656	2.4
189.37355	0.6
197.28621	0.7
277.21625	1.1
283.06100	0.7
311.05688	2.3
431.09738	1.7
431.22061	10.3
431.27905	1.3
431.33582	1.4
432.22504	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64212	0.3
59.01379	100.0
60.01722	1.3
61.98835	0.9
69.27766	0.6
69.28159	2.5
71.01379	5.2
73.02972	0.8
83.01470	0.4
85.02959	0.7
87.00896	0.7
89.02442	5.1
101.02451	1.7
113.02450	1.9
115.00323	0.3
117.03503	0.5
119.03485	2.5
133.01433	1.3
135.04526	3.2
146.04625	0.4
159.85118	0.3
161.04625	0.6
179.03569	0.4
179.05640	1.1
195.50140	0.3
197.49629	0.3
198.53641	0.4
228.80569	0.3
250.51778	0.3
268.03952	1.2
269.04480	1.5
283.06161	1.3
311.05655	2.8
341.06653	0.7
345.26694	0.5
350.61218	0.4
431.09811	2.8
431.18546	0.7
431.27167	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
59.49165	1.0
60.01707	1.1
61.98819	2.2
69.78645	5.3
71.01386	1.3
75.51397	1.3
81.03462	1.0
88.98808	1.3
101.25240	1.1
117.03444	1.6
125.09758	2.5
126.28757	1.1
150.07063	1.1
153.01350	1.1
161.99008	1.1
187.09689	2.0
187.13397	2.8
201.01953	14.9
243.12390	1.4
253.74393	1.1
259.98083	1.1
283.06122	6.5
304.81033	1.2
311.05640	8.0
334.93265	1.0
341.06738	1.6
418.59888	1.2
431.09958	5.6
431.26828	1.8
431.32654	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	84.4
61.98814	3.9
65.16784	3.5
67.19138	3.7
70.20033	12.7
79.18874	3.6
86.58047	4.4
88.98759	5.0
89.93901	3.9
96.96037	4.9
112.45075	4.1
117.03461	4.7
147.89375	4.1
201.01909	100.0
202.02243	5.5
209.24478	3.8
209.27911	4.5
283.06070	15.9
311.05606	28.7
330.62195	4.1
341.06766	5.2
431.09937	17.1
431.23898	7.6
431.31647	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	431.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.3
58.00605	0.5
59.01382	26.2
61.72186	0.4
65.18330	0.5
69.03467	0.9
69.36897	2.6
69.37321	1.4
71.01383	8.1
73.02955	8.1
83.01398	1.9
85.02948	1.4
88.98836	0.6
89.02463	2.1
90.77713	0.5
92.48032	0.6
97.02979	0.9
97.06580	0.6
99.00885	0.6
101.02449	8.4
109.06606	0.5
111.08173	2.9
112.87599	0.5
113.02459	3.9
119.03467	0.8
123.58032	0.5
125.02475	1.2
131.83266	0.5
143.03523	1.4
155.03546	0.9
161.04590	1.3
165.12851	30.3
166.13191	2.0
183.13904	74.5
184.14235	4.2
191.10872	0.7
197.15527	1.7
203.05559	1.0
207.13898	2.9
209.11812	3.7
225.14999	1.9
227.12889	100.0
228.13196	6.3
251.12880	8.9
263.13080	1.0
269.13907	2.3
283.06131	0.9
293.13950	1.8
295.02490	1.0
311.05490	1.3
335.14850	0.9
417.21341	0.5
431.08310	1.2
431.18628	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01705	1.1
61.98823	2.4
69.31926	8.8
70.56947	1.1
71.01382	1.4
73.08868	1.2
78.95907	2.6
88.98804	5.9
89.02474	1.3
115.18645	0.9
117.03475	1.4
133.02931	1.1
165.01753	0.9
174.71877	1.2
177.03897	1.1
201.01923	16.8
281.04492	1.2
283.06198	5.4
306.04193	1.0
311.05658	11.7
323.05576	1.6
341.06656	1.6
372.02530	1.3
394.96649	1.1
417.47244	1.2
420.34402	1.1
431.09622	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	431.1195
Annotation	Tachiogroside B
Peak:m/z	Relative Intensity
52.12128	0.9
57.03447	81.4
59.01377	27.9
60.16729	0.8
61.98825	2.5
62.51265	0.9
69.03461	4.6
71.01379	13.8
71.49459	1.0
72.99345	1.1
73.02954	3.4
74.02480	1.0
81.03454	1.8
83.01392	3.0
85.02939	5.2
87.00875	1.5
88.98831	2.5
89.02419	4.5
95.01376	1.7
96.96022	1.6
97.02946	16.7
99.00841	1.2
99.02003	1.0
99.04516	47.9
100.04845	1.2
101.02437	16.6
104.61852	0.9
109.02985	1.1
111.00803	1.3
113.02475	4.9
115.00377	2.4
118.39827	0.8
119.03481	0.9
120.86280	0.9
123.04465	1.1
125.02442	100.0
126.02767	3.8
128.03587	1.1
133.01436	3.1
133.02965	0.9
135.04518	5.9
138.21700	1.1
143.03445	1.1
149.06087	1.5
159.06676	1.0
161.04562	5.9
177.03136	1.0
179.03537	2.9
179.05530	1.5
185.00999	1.0
195.06619	1.4
203.05574	2.2
211.06032	1.7
271.09753	2.6
311.05670	0.9
315.08698	2.8
329.08688	0.9
388.31442	0.9
431.15451	2.4
432.19037	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.6
59.01384	10.6
59.87635	0.6
60.99312	1.7
68.45551	0.6
71.01385	7.5
73.02958	0.6
73.46834	0.5
85.02944	1.8
87.00890	3.6
87.95752	0.5
88.98812	9.0
89.02450	100.0
90.02787	2.1
101.02442	2.6
104.20728	0.6
104.57204	0.7
105.01933	0.7
113.02447	2.9
114.02769	0.7
115.00364	0.8
117.01962	0.8
119.03515	2.3
133.01425	5.4
133.05066	0.9
135.04536	1.4
137.02348	0.5
143.03551	0.7
161.04572	1.4
179.03497	1.2
179.05609	4.2
181.23788	0.5
183.87570	0.5
191.05611	2.4
269.10184	0.7
341.10883	16.3
342.11218	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	431.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.6
59.01384	10.6
59.87635	0.6
60.99312	1.7
68.45551	0.6
71.01385	7.5
73.02958	0.6
73.46834	0.5
85.02944	1.8
87.00890	3.6
87.95752	0.5
88.98812	9.0
89.02450	100.0
90.02787	2.1
101.02442	2.6
104.20728	0.6
104.57204	0.7
105.01933	0.7
113.02447	2.9
114.02769	0.7
115.00364	0.8
117.01962	0.8
119.03515	2.3
133.01425	5.4
133.05066	0.9
135.04536	1.4
137.02348	0.5
143.03551	0.7
161.04572	1.4
179.03497	1.2
179.05609	4.2
181.23788	0.5
183.87570	0.5
191.05611	2.4
269.10184	0.7
341.10883	16.3
342.11218	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	431.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98825	1.5
71.01385	1.4
71.42814	1.1
79.72012	0.8
85.02931	1.0
88.98834	1.0
89.99012	0.8
90.09032	0.7
117.03490	1.3
135.04483	0.8
139.51979	0.7
140.69983	0.9
201.01938	7.3
225.62726	1.0
283.06100	4.6
311.05582	7.5
323.05414	1.1
341.06387	1.9
408.51743	0.9
431.09482	4.8
431.24753	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	431.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.2
59.01376	22.0
60.01670	0.2
61.98831	0.4
63.74049	0.2
71.01379	7.1
71.50465	0.2
72.99293	0.6
73.02944	1.1
83.01406	0.5
85.02968	1.1
88.98797	0.4
89.02434	2.3
95.01392	0.4
99.04502	0.4
101.02453	1.4
113.02445	1.0
115.00372	9.9
117.03454	0.6
119.03496	0.4
125.09744	0.3
133.01425	12.4
134.03757	0.8
135.04518	100.0
136.04828	3.7
142.18434	0.2
145.09796	0.2
147.39069	0.2
149.02493	0.3
153.09216	0.3
161.02419	0.4
161.04552	0.6
163.03893	0.2
179.03490	17.5
180.03827	0.9
221.42366	0.3
227.07079	0.5
227.16502	0.2
268.03552	0.3
269.04428	0.4
269.14041	0.5
269.17618	0.2
271.09732	9.3
272.10138	1.2
283.06165	2.1
295.06192	0.3
311.05606	2.6
312.05966	0.5
315.08701	4.4
316.09073	0.3
323.05887	0.5
341.06696	1.0
371.20560	0.4
389.21838	0.4
399.41190	0.3
431.09946	2.5
431.22687	0.7
431.27350	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.104
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10955	1.0
59.01379	3.0
59.92809	1.2
60.99303	12.8
63.48629	1.0
69.33134	3.0
69.33549	4.8
71.01373	2.1
76.05527	0.9
88.00444	1.1
88.98806	100.0
89.02441	16.8
89.02943	1.4
89.99151	1.0
114.77599	0.9
115.00311	1.2
133.01414	6.0
135.04492	2.5
137.54166	1.0
179.03413	1.3
245.06342	1.0
341.10861	3.4
342.11472	1.1
352.84189	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61852	0.5
57.03450	0.8
58.00585	0.5
59.01377	100.0
60.01709	1.4
61.98833	1.5
71.01378	8.1
72.77986	0.4
73.02947	1.2
75.00835	0.5
83.01390	0.6
85.02969	2.6
87.00852	2.2
89.02438	8.3
95.01395	0.6
101.02452	4.5
102.49054	0.5
113.02450	3.0
119.03510	2.7
121.94611	0.4
125.02456	1.0
133.03014	0.7
135.04552	1.3
137.02518	0.6
137.32521	0.5
143.03519	1.4
161.04556	0.9
167.03581	0.4
172.86588	0.5
179.03477	0.5
179.05615	1.7
181.01495	0.5
183.13977	0.5
190.02966	0.4
191.05687	0.5
206.99861	1.2
207.08188	1.3
306.58987	0.4
343.25107	1.6
387.19931	1.0
429.20941	0.9
429.29297	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16525	0.7
59.01379	100.0
60.01706	1.3
61.98822	1.9
67.43021	0.7
70.16994	0.7
71.01382	3.6
71.50641	1.2
79.71745	0.8
81.07081	0.9
85.02949	1.0
87.00856	0.8
89.02412	1.2
101.02451	1.2
113.02427	1.6
115.62012	0.8
135.97256	0.7
189.24904	0.8
371.79660	0.9
429.24875	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	431.0982
Annotation	LMPK12110338
Peak:m/z	Relative Intensity
59.01379	14.8
60.01697	2.1
61.01808	1.3
65.00323	0.6
69.67191	2.5
71.01371	1.1
77.03970	3.3
79.01889	1.8
82.06741	0.5
85.02932	0.7
89.02439	0.8
93.03474	2.8
101.02424	1.2
105.03455	0.7
107.01419	0.6
117.03472	12.1
119.05035	1.5
121.02972	3.3
133.03008	0.6
135.04536	2.5
139.83435	0.5
145.02997	0.5
147.40448	0.4
149.02422	1.5
159.04564	2.5
161.02432	5.5
163.00346	1.6
163.04034	3.2
165.01941	1.8
175.00398	0.7
183.04483	1.4
185.02382	0.5
191.03499	1.4
197.06010	1.3
203.03481	0.6
207.40906	0.5
211.07704	1.3
228.38983	0.6
237.05438	0.7
239.07121	2.3
240.04147	0.8
241.05161	0.6
253.05125	1.1
254.05739	0.8
267.88449	0.5
268.03793	2.4
269.04575	6.1
270.04825	0.6
281.04550	8.2
282.05295	4.3
283.06131	59.7
284.06424	5.9
293.04510	1.8
295.06088	3.5
309.04034	1.1
311.05618	100.0
312.06006	8.8
314.04343	1.6
323.05579	7.7
324.05508	0.7
341.06668	20.5
342.07050	1.6
353.06735	1.1
370.19684	0.6
371.19736	1.5
389.20905	1.4
407.13492	0.5
413.08719	2.0
413.23389	0.5
415.82169	0.7
431.09836	52.1
432.10150	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	429.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	0.2
69.13242	1.3
69.13671	0.2
71.97028	0.1
99.92578	5.2
100.92671	0.3
100.93358	6.1
101.93404	0.3
104.84545	0.1
113.92603	0.3
115.92072	100.0
116.92076	5.1
116.92865	6.0
117.92915	0.2
132.92357	1.1
142.94466	0.3
155.95157	0.3
172.95448	4.3
173.95528	0.3
255.23297	0.8
355.15985	0.5
356.16150	0.2
371.15140	0.3
381.17526	0.8
382.17532	0.2
411.18604	0.3
429.19455	3.8
430.19556	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01717	1.7
60.88284	0.4
69.03461	1.6
69.40746	0.5
69.41151	2.1
71.01381	2.4
73.02956	0.9
85.02918	0.7
89.02457	2.1
98.19959	0.7
99.00896	0.6
101.02443	1.3
105.55892	0.3
110.86108	0.3
113.02461	1.3
126.30444	0.4
161.04565	0.5
185.00914	1.3
187.72333	0.3
244.36436	0.4
278.99200	0.4
359.49161	0.4
387.20343	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13157	0.4
55.01876	0.6
57.03452	0.7
59.01377	100.0
60.01720	0.9
61.98832	2.6
69.03461	1.6
71.01379	12.9
71.49951	0.8
71.77431	0.5
72.99318	0.9
73.02947	10.2
83.01369	3.3
84.09177	0.4
85.02946	4.5
87.00890	0.8
87.04521	0.6
88.04049	1.1
89.02434	3.9
93.03461	0.7
95.01419	0.6
96.96017	1.0
97.02938	0.7
99.04561	0.5
101.02436	11.0
109.02980	2.0
111.00874	0.7
113.02450	5.8
115.00389	2.3
119.03499	0.9
121.42257	0.6
122.03738	0.7
123.04530	1.4
128.03560	1.1
128.12312	0.5
131.03497	1.4
133.01427	1.9
133.02971	1.1
134.03769	1.0
135.04514	4.6
137.02383	0.7
143.03542	1.1
149.04572	0.9
159.04596	0.7
161.04536	2.4
167.03532	0.6
176.50673	0.5
177.01881	0.7
179.03511	2.1
181.08627	0.6
185.01007	1.2
185.27840	0.4
207.06648	1.7
223.04649	0.7
227.39665	0.5
269.08163	1.3
313.07040	0.7
385.13541	0.6
429.08655	0.8
429.13559	0.9
429.23206	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	1.4
57.03435	3.7
58.00584	1.4
59.01380	36.7
61.98821	2.2
62.95868	1.2
67.01878	2.2
68.99802	1.6
69.03455	1.9
71.01379	29.9
71.51125	1.4
71.51540	1.8
72.99300	8.9
73.02949	2.8
75.00874	34.3
81.03450	1.2
83.01374	1.9
83.05032	1.8
85.02950	32.7
87.00869	10.4
89.02441	6.4
89.76945	1.0
95.01392	7.7
99.00885	14.3
101.02446	2.0
103.00366	3.1
111.00910	1.5
113.02453	43.9
115.00360	4.3
117.01952	6.8
119.22752	1.3
121.22852	1.3
129.01923	2.3
130.99854	1.4
135.11781	5.2
175.02472	3.8
179.10770	45.9
180.11124	2.5
189.04022	1.6
223.17012	3.2
231.05101	8.5
249.06151	58.4
250.06441	3.6
262.91821	1.2
267.07053	2.5
267.15976	4.7
268.16241	1.5
278.90012	1.3
411.16754	3.5
429.17630	100.0
430.18030	11.3
434.38861	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	429.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.7
59.01377	17.5
60.22364	0.4
61.45776	0.3
61.98832	0.5
63.01377	0.3
68.35900	0.4
69.03475	0.4
70.17367	0.3
71.01379	4.3
71.50908	0.4
72.99271	0.4
73.02942	14.8
81.03440	0.5
83.01391	0.7
83.05061	0.5
85.02940	2.3
87.04514	0.8
87.10579	0.4
89.02443	1.2
95.05035	1.3
97.02947	0.7
97.06589	0.4
101.02450	3.6
101.06093	0.4
107.05051	0.4
109.06602	1.2
111.08192	0.9
111.48754	0.4
113.02436	2.0
113.06078	0.7
113.86157	0.4
115.00349	0.3
119.03532	0.8
125.02448	0.7
133.01428	0.5
143.03496	0.5
161.04463	0.7
161.09785	0.5
163.11273	8.3
164.11525	0.7
181.12329	67.4
182.12650	4.0
195.13867	0.9
207.10258	3.1
223.13347	1.2
225.11301	100.0
226.11636	7.3
231.10347	0.6
240.33208	0.3
240.35684	0.4
249.11256	1.5
259.89648	0.4
267.12424	2.9
429.16940	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03393	1.2
57.03435	1.4
59.01379	100.0
59.63408	1.0
59.81171	1.1
60.01697	1.7
60.79346	1.2
61.98820	3.6
62.29976	1.2
63.87812	1.2
71.01405	6.0
71.40746	1.5
73.02919	1.3
85.02942	1.9
89.02461	1.8
98.20031	1.3
101.02460	2.1
101.88125	1.1
106.90758	1.0
113.02428	1.4
121.02943	1.8
133.02989	1.9
159.04459	2.4
173.02338	1.4
178.95753	1.2
201.01988	7.7
217.01405	1.4
257.78568	1.2
387.20230	1.7
429.09225	1.5
429.26007	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1246
Annotation	mannosylglucosylglyceric acid
Peak:m/z	Relative Intensity
55.98049	0.4
59.01371	5.5
71.01381	3.5
71.48697	0.6
74.45697	0.4
75.00876	0.7
87.00871	100.0
88.01210	1.7
88.04028	0.8
89.02441	5.5
101.02444	1.4
103.00359	1.1
105.00958	0.4
113.02489	1.4
115.57200	0.4
119.03484	1.4
161.04440	0.5
179.05606	2.3
331.33469	0.4
341.10846	9.6
342.67233	0.5
345.55408	0.4
392.57681	0.4
443.45847	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	5.5
69.62067	3.2
71.01374	3.9
72.10092	0.5
73.62696	0.5
75.00868	1.0
78.97811	0.5
85.02932	0.6
87.00872	100.0
88.00368	0.5
88.01227	1.8
88.04066	0.7
89.02441	5.5
98.19875	0.6
101.02442	2.6
103.00367	1.2
113.02440	1.5
119.03503	2.0
139.55965	0.7
158.95982	0.5
175.80736	0.5
179.05661	2.7
213.38663	0.6
284.66327	0.5
300.94095	0.5
341.10861	9.5
386.68912	0.5
392.56696	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98813	6.2
65.40947	1.5
67.42860	1.8
71.49739	2.8
96.96011	23.5
96.96944	3.2
99.92585	2.7
110.22102	1.9
118.89940	1.9
128.05684	2.0
133.33354	1.9
161.02481	3.0
191.24236	1.8
201.01944	29.0
202.02321	2.2
292.82745	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	429.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03393	1.2
57.03435	1.4
59.01379	100.0
59.63408	1.0
59.81171	1.1
60.01697	1.7
60.79346	1.2
61.98820	3.6
62.29976	1.2
63.87812	1.2
71.01405	6.0
71.40746	1.5
73.02919	1.3
85.02942	1.9
89.02461	1.8
98.20031	1.3
101.02460	2.1
101.88125	1.1
106.90758	1.0
113.02428	1.4
121.02943	1.8
133.02989	1.9
159.04459	2.4
173.02338	1.4
178.95753	1.2
201.01988	7.7
217.01405	1.4
257.78568	1.2
387.20230	1.7
429.09225	1.5
429.26007	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	428.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.11636	0.8
66.34864	0.8
67.32455	0.7
71.02524	1.3
72.00916	1.6
73.04069	11.8
83.02509	3.3
85.02964	0.7
85.04074	3.8
93.03490	1.6
97.04062	0.8
98.19791	1.3
99.02010	3.9
101.03566	5.6
103.85319	0.8
105.85995	0.8
108.02244	0.9
111.01998	3.9
112.05147	5.1
113.03568	2.1
119.05016	2.7
121.02955	7.8
122.03753	13.0
123.04556	1.3
128.04662	19.1
130.06219	20.5
134.03763	1.4
134.06137	1.4
135.04523	1.3
137.02444	1.0
142.06207	1.9
149.04868	4.0
149.05881	0.8
150.05617	1.9
181.86856	0.7
211.07692	1.4
224.08347	1.5
225.09200	7.5
237.09200	9.7
238.09464	1.3
242.11774	1.6
249.07936	2.2
252.10233	2.0
256.07312	1.8
264.10345	0.8
268.09729	3.3
281.06934	1.1
285.12555	1.5
293.12955	3.0
296.09122	1.2
297.12521	1.4
297.33691	0.9
299.14001	3.7
309.12445	2.0
311.13998	1.7
320.09061	1.2
326.15134	2.7
327.13162	1.1
337.11957	6.1
354.14575	34.0
355.14786	3.9
381.10791	1.4
398.13556	100.0
399.13876	11.2
410.13675	1.2
428.14603	29.4
429.14984	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	429.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.5
57.03451	17.3
59.01378	14.8
65.45208	1.1
67.01913	2.6
69.03452	2.0
71.01386	11.8
71.49554	2.2
72.99322	2.0
73.02943	3.5
73.19253	1.2
75.00867	2.7
83.01389	10.6
84.02190	2.0
85.02946	100.0
86.03284	2.9
87.00881	1.5
89.02484	1.1
93.03456	29.6
93.04380	1.2
96.96004	3.6
99.00928	1.2
101.02427	9.3
101.32405	1.3
109.02956	6.9
111.00876	28.9
115.00373	7.8
121.02956	3.3
129.01945	43.8
133.01430	14.1
133.02966	3.4
134.03728	3.8
135.04520	9.5
137.02440	40.7
147.04559	2.2
149.02431	8.1
149.06168	1.8
159.04477	2.0
161.04544	2.2
162.04900	1.3
164.04755	4.0
177.01955	1.6
178.02757	3.0
179.03468	5.5
185.00859	4.2
193.05019	5.3
205.03514	25.8
223.04398	15.3
223.06223	4.9
225.07654	1.7
269.08078	6.0
293.17929	1.2
313.07294	2.3
429.08954	1.4
429.14087	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	427.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99654	0.8
59.01383	100.0
61.98827	1.3
66.79201	0.8
70.71929	2.0
70.72276	1.0
71.01377	1.2
82.12121	0.9
100.58223	0.9
101.49394	0.9
171.10248	2.6
198.20630	1.0
267.06631	3.7
275.20145	6.1
293.21368	2.5
311.05579	3.7
313.29654	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09858	24.4
59.01372	93.5
61.98824	36.5
71.01386	33.8
71.37256	44.8
95.31506	25.4
168.01250	25.7
208.47234	21.5
221.08171	31.1
243.34557	28.6
252.04268	36.2
267.06625	65.9
279.69409	26.3
311.05518	100.0
420.23871	31.4
427.26913	48.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	8.5
61.98829	100.0
65.03174	0.8
69.25748	4.1
69.26158	2.8
71.01375	2.2
73.05987	0.7
73.62061	0.8
80.43988	0.8
89.02477	0.9
93.77760	0.8
94.18373	0.8
101.02455	0.7
114.50851	0.8
159.04317	0.7
187.39345	1.1
191.10173	0.8
266.11108	1.1
369.19125	2.3
387.20258	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	428.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01081	0.9
59.01380	39.7
61.98830	100.0
69.03465	3.1
69.16354	4.6
69.16779	3.1
71.01382	10.4
72.99309	0.9
73.02949	3.0
83.01393	1.0
85.02959	2.3
88.04059	0.9
89.02463	3.2
93.03506	1.1
96.96057	0.8
97.02959	1.2
99.00887	0.8
99.01975	0.8
101.02420	4.1
113.02455	3.8
115.00381	5.2
119.03512	1.2
121.02967	1.3
125.01419	0.8
128.03560	0.8
130.08701	1.0
131.96783	0.8
133.01463	5.4
133.03053	0.8
135.04547	1.7
137.02443	1.1
159.04515	5.6
167.03537	1.1
176.04855	2.2
177.05190	1.7
177.09242	2.4
178.09630	2.8
185.00945	2.8
203.03551	2.5
205.08768	3.1
206.09047	3.9
243.12671	1.0
246.66507	0.8
249.11348	3.5
250.11679	8.1
267.12430	2.1
268.12744	5.1
269.08228	1.3
313.07260	1.9
365.08807	1.4
429.08395	2.1
429.13919	1.7
429.23181	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	427.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36811	0.6
55.01862	1.0
57.03438	1.7
58.00602	0.7
59.01379	100.0
60.01719	1.2
69.03067	0.6
69.03436	1.1
71.01381	30.5
71.50463	0.9
72.01723	0.9
72.99314	8.2
73.02947	30.8
83.01391	8.4
85.02940	5.2
87.00875	4.5
87.04518	0.9
89.02448	11.6
89.34795	0.9
95.01409	1.8
97.02969	1.1
99.00893	1.8
101.02446	29.1
102.02788	0.7
104.13219	0.6
105.18759	0.6
108.02196	0.7
109.02956	4.3
113.02451	10.2
113.03171	1.0
114.02776	0.9
115.00393	4.3
119.03485	4.0
121.02934	1.4
123.04556	1.3
125.02490	0.9
129.38818	0.6
130.08737	0.9
131.03537	2.4
133.01457	1.7
134.03743	11.6
135.04520	2.2
136.01692	2.5
137.02470	2.3
139.04124	0.6
143.03555	2.3
149.04558	1.5
151.03999	10.0
161.04547	6.7
161.09691	3.1
173.95818	0.7
175.07707	1.3
175.11377	0.8
176.08475	2.1
178.02715	3.9
179.03419	0.8
179.05666	2.1
179.10815	1.6
187.11281	13.8
188.11621	1.8
189.09227	1.0
190.10040	2.4
195.03038	2.1
203.05580	1.1
203.10854	1.6
203.37555	0.7
204.11598	2.7
205.12338	17.7
206.12679	1.3
211.79572	0.8
215.10895	2.1
223.09717	0.8
223.13356	0.8
231.10280	2.4
233.11827	9.2
252.04391	1.9
259.13312	3.4
265.10828	1.5
267.06665	2.3
277.14532	2.9
293.10342	4.6
311.05740	1.7
311.11328	15.1
312.11832	1.2
385.18646	0.9
428.20029	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2336
Annotation	Lyoniol D
Peak:m/z	Relative Intensity
51.42110	0.8
52.15942	0.8
52.73278	0.7
54.24355	0.7
54.37636	0.8
54.71905	0.8
55.01871	1.1
57.03442	1.1
59.01379	100.0
61.98825	1.0
65.15278	0.9
68.84649	0.8
71.01385	19.1
71.51371	1.3
72.99325	1.1
73.02945	5.7
83.01381	2.9
85.02953	7.8
87.00866	1.4
89.02459	6.2
95.01406	1.1
99.00890	1.9
101.02443	13.1
108.15341	1.0
113.02436	6.0
119.03470	1.6
143.03505	1.0
148.11143	0.9
159.03006	1.8
161.04553	9.2
179.05669	1.1
222.80736	0.8
239.53520	0.8
252.04305	2.0
267.06543	3.9
311.05518	5.2
312.05829	0.9
319.54556	1.3
334.20233	1.0
367.21155	2.0
385.22342	12.9
386.22495	1.9
427.14145	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	427.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.4
59.01379	100.0
60.01704	0.9
62.07193	0.7
68.14415	0.7
69.03455	2.0
69.60971	1.8
69.61380	2.3
71.01379	19.5
72.99330	0.9
73.02946	12.6
83.01379	3.9
85.02945	5.6
87.00861	0.8
89.02435	6.4
95.01408	1.1
96.57250	0.8
97.02955	1.2
99.00903	1.3
101.02447	12.2
113.02452	9.7
115.00394	1.6
117.92455	0.8
119.03519	2.2
123.08150	0.9
134.03745	0.8
136.05321	1.1
137.06064	0.8
138.06839	3.9
143.03551	1.9
149.04599	0.9
149.06013	1.1
151.07654	2.9
151.38956	0.8
152.08420	10.1
153.09206	20.7
161.04582	3.9
161.54814	0.7
163.07692	1.4
165.09325	1.2
176.04837	1.4
177.09235	3.0
179.05684	1.2
185.01001	1.0
186.83589	0.6
187.11313	1.0
190.10201	0.8
203.10835	0.9
205.08694	3.8
205.12325	11.9
206.12723	1.3
221.11909	2.8
223.13361	3.2
246.68413	0.6
249.11316	6.0
265.10757	3.9
267.12387	3.8
311.11432	0.7
344.35510	0.8
367.17560	8.0
385.18973	2.1
427.15900	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	427.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42221	1.1
55.20318	1.2
57.03448	73.5
58.03770	2.2
59.01379	100.0
61.98828	2.5
69.03460	4.6
69.47695	9.8
71.01384	21.7
72.99303	7.1
73.02947	5.4
73.44090	1.3
83.01407	2.4
85.02943	3.5
89.02444	11.6
91.51330	1.2
94.47274	1.2
96.06291	1.2
99.00903	1.8
99.04511	60.7
100.04873	1.7
101.02451	22.1
109.02948	11.8
113.02449	10.6
115.00364	9.6
119.03513	5.6
121.02970	2.0
123.04542	3.1
125.02446	21.9
131.03394	1.2
133.01430	5.8
134.02155	1.4
134.03735	31.8
135.04591	7.8
136.01642	7.8
137.02412	4.9
143.03481	3.4
151.04004	13.9
161.02446	1.3
161.04546	4.1
178.02710	3.0
179.05620	2.3
185.00862	2.1
195.03015	2.4
203.10768	2.2
231.10234	8.2
252.04306	2.3
267.06610	5.8
277.88214	1.4
289.80582	1.4
293.10306	5.8
311.05655	3.6
311.11343	29.3
312.11694	2.9
427.15979	16.0
428.16370	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	427.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75127	0.7
57.03441	1.4
59.01383	4.5
60.99300	1.5
61.98820	1.7
69.03457	4.8
69.03792	0.7
69.54890	4.0
71.01385	14.5
72.99306	1.5
83.38741	0.6
85.02946	1.0
88.98819	6.9
89.02443	1.0
97.02979	0.6
97.06552	0.7
99.00848	0.8
99.04488	0.8
101.02428	2.0
105.01921	1.2
107.05022	1.0
113.02467	0.8
115.00376	8.1
117.03452	0.8
121.02953	2.7
133.01442	4.7
133.02930	1.4
133.04483	0.6
134.03752	3.7
134.96815	0.6
135.04523	94.8
136.04848	3.9
137.02457	2.2
149.02425	0.9
161.02333	0.9
161.04619	0.6
177.01967	2.5
177.09242	2.2
178.02708	1.0
179.03493	100.0
180.03839	5.6
185.00917	2.3
187.07596	0.8
205.08688	2.6
209.04523	0.9
235.06184	0.8
249.11363	4.8
265.07285	1.1
267.06525	2.0
267.12390	2.6
283.04465	0.7
293.10400	2.0
311.04172	1.2
311.07794	21.7
311.11255	1.7
312.08078	2.0
321.79898	0.6
333.47974	0.7
367.16299	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	427.1162
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97467	1.6
55.59812	1.6
57.03444	1.9
59.01377	47.3
61.98850	8.1
65.08202	1.6
67.33514	1.7
68.22736	1.5
69.03446	2.8
69.72919	2.9
69.73330	6.1
71.01373	20.5
73.02948	20.0
74.55951	1.9
75.00855	2.4
83.01393	6.7
85.02942	4.7
87.34121	1.6
89.02432	5.4
90.45869	1.6
97.06607	1.8
101.02425	12.9
113.02446	4.4
114.01952	2.1
115.00328	2.6
174.03200	18.8
196.50705	1.7
205.12296	12.9
206.02136	10.4
223.13359	2.1
226.01073	1.7
229.08681	100.0
230.08955	8.7
252.04263	4.1
267.06598	8.3
268.06946	2.0
311.05603	9.0
427.14688	2.8
427.18961	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	427.161
Annotation	Hyuganoside V
Peak:m/z	Relative Intensity
55.01870	1.7
57.03439	1.7
58.00590	1.3
59.01384	43.9
61.98821	1.6
69.03461	3.6
69.90194	0.5
71.01389	24.1
72.99307	1.4
73.02953	9.8
83.01393	5.0
85.02960	8.7
87.00899	0.9
89.02448	12.9
95.01385	1.9
99.00884	2.8
99.99728	0.7
101.02450	17.9
102.02771	0.7
113.02455	10.2
115.00351	1.5
119.03510	4.7
131.03487	0.7
133.01408	1.2
134.03745	1.5
143.03534	1.5
149.06139	4.0
153.09216	1.6
159.11774	0.6
161.04579	3.8
161.05681	0.7
163.07703	3.8
165.27107	0.7
175.07613	0.7
176.04779	1.9
177.09233	1.9
179.05620	2.1
185.00954	3.1
187.07632	2.0
203.10799	15.6
205.08704	3.9
205.12289	3.3
221.11838	16.8
222.12158	1.1
229.08649	6.4
231.10226	0.9
239.27907	0.6
247.09721	2.5
249.11317	5.6
250.11871	0.7
250.17334	0.7
265.10764	3.3
267.12415	2.4
285.71725	0.6
302.17865	0.6
304.46259	0.6
311.11414	0.8
338.02985	0.6
343.22250	0.7
409.15393	0.6
427.16089	100.0
428.16440	12.5
435.79547	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
57.65984	0.7
59.01371	3.7
61.98822	2.1
69.59703	1.1
69.60110	3.2
71.01376	2.2
74.43491	0.7
79.55424	0.7
82.61982	0.6
92.92781	1.2
97.02923	1.1
115.00371	0.9
116.03013	0.6
133.07803	0.7
141.23711	0.6
142.19348	0.6
152.95639	0.6
153.33173	0.7
154.93443	0.6
164.52788	0.6
169.57834	0.7
183.13904	10.7
193.12338	1.4
195.13884	26.2
196.14186	1.9
199.09613	0.7
211.13371	33.5
212.13779	2.5
213.14960	8.5
214.15346	1.1
223.13481	1.2
232.49477	0.6
291.19504	0.8
309.20712	9.2
310.20996	0.7
315.26947	2.8
341.24918	1.4
359.25876	3.8
377.26950	2.4
395.27789	1.3
407.28049	1.7
425.29071	100.0
426.29404	15.6
426.35272	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.0677
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26606	0.4
54.73696	0.5
55.01859	0.5
59.01380	7.8
61.98829	100.0
69.03466	2.8
69.47806	3.2
71.01377	5.7
73.02964	0.7
85.02966	1.5
89.02444	3.1
99.00909	1.5
101.02460	1.5
113.02464	1.6
115.00389	1.5
119.03529	1.5
133.01443	0.9
134.03761	2.0
136.01683	1.1
147.04536	0.9
149.06122	0.6
151.28087	0.4
161.04596	0.6
161.06010	0.9
162.06355	0.5
176.04849	1.1
177.01872	1.0
177.09238	1.6
178.02321	1.0
183.40610	0.4
185.00882	2.9
190.02449	0.5
201.01997	1.0
202.02269	1.0
203.02553	0.6
203.10780	2.9
205.08752	2.1
219.10304	1.7
220.10611	2.6
221.11929	1.4
231.10199	0.5
247.09850	1.7
249.11276	3.3
252.04424	0.6
263.09305	1.6
264.09543	2.4
267.06589	0.6
267.12482	2.0
311.05569	0.9
311.11493	1.9
371.99869	0.4
427.16058	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	425.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.7
60.60010	0.3
65.03976	0.5
71.01373	0.7
71.27865	0.6
71.44032	0.3
73.02952	0.3
73.45454	0.3
80.42381	0.3
93.03458	65.0
94.03786	2.6
101.02458	0.3
137.02444	100.0
138.02768	4.2
151.87997	0.3
158.23926	0.3
220.60013	0.3
299.69351	0.3
344.58905	0.4
425.14435	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10375	1.6
59.01378	2.9
60.27353	1.2
62.57814	1.1
64.48888	1.3
67.05524	2.6
71.05016	9.6
79.56734	1.5
98.20691	2.4
103.65348	1.3
114.09254	1.8
130.08727	13.9
134.03755	1.2
163.42503	1.4
186.15016	7.0
230.13959	100.0
231.14316	6.4
347.12695	1.5
355.47934	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98833	28.2
71.01380	33.7
71.40348	40.0
75.44145	13.5
87.00836	20.8
108.60308	16.8
109.87859	15.1
115.92086	21.4
116.75055	14.8
138.78093	18.9
168.92949	16.3
187.62021	15.3
230.66978	15.7
340.07028	16.9
429.19873	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	425.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60842	0.5
55.98346	0.5
59.01374	1.6
60.73595	0.5
65.01100	0.5
70.62549	1.7
95.22584	0.6
101.04647	0.6
167.03552	0.5
167.14474	0.6
177.12799	0.6
183.13882	11.0
184.14236	0.9
193.12329	1.1
195.13895	26.0
196.14272	1.1
200.15987	0.6
200.51749	0.5
211.13391	35.2
212.13692	2.1
213.14940	10.1
223.13356	0.6
315.26926	3.2
333.20816	0.6
333.27902	1.0
341.24731	1.0
359.25974	3.1
360.26340	0.8
377.26718	3.1
395.28134	0.7
407.27899	1.8
425.29083	100.0
426.24078	1.1
426.29437	14.0
435.68494	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53010	1.0
59.01389	1.7
60.76582	1.0
69.99345	0.8
71.05035	2.3
83.11543	1.0
84.04539	17.1
84.18009	1.2
98.20640	3.0
100.58304	1.1
120.01247	16.1
125.04321	4.7
125.09727	21.0
126.10022	1.3
162.02299	100.0
163.02605	3.7
188.62383	1.0
251.14738	8.5
338.17868	2.7
380.14658	1.2
380.18771	6.8
404.06625	1.0
432.17480	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	424.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16952	0.5
61.98817	1.1
67.52205	0.5
69.90585	1.4
69.90980	0.9
78.95904	13.3
90.18860	0.6
92.16904	0.5
98.20666	0.6
99.92574	0.8
110.98526	9.4
111.98833	0.6
137.27953	0.5
147.63741	0.4
147.64935	0.5
152.99687	0.6
167.01141	8.5
168.01460	2.1
169.72516	0.5
183.01228	0.9
185.02208	3.4
186.02460	1.2
187.02634	0.9
237.00978	0.5
255.23283	28.7
256.23618	100.0
257.23898	5.6
339.19867	2.7
347.18668	0.5
352.73508	0.6
413.77353	0.6
424.25488	15.6
425.25766	2.0
432.48154	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.1
59.01375	47.5
59.06261	0.7
60.85789	0.8
61.98812	3.1
69.03466	1.8
71.01379	5.9
72.99304	1.4
73.02950	0.9
85.02965	1.1
87.00885	1.2
89.02463	3.1
93.18282	0.8
97.02959	0.9
101.02442	1.8
109.02992	1.0
113.02456	2.0
115.00348	2.6
119.03473	1.9
119.04992	2.3
123.04518	1.0
133.01436	5.7
133.02945	3.7
135.04492	2.4
147.04509	3.6
161.02428	100.0
161.06027	6.8
162.02797	3.4
163.03993	1.3
177.01952	1.1
185.00839	2.5
201.06049	0.7
203.03542	1.3
203.07143	1.1
203.10768	0.9
205.08568	0.7
219.10245	27.6
220.10646	2.3
226.69620	0.9
244.07167	0.9
247.09721	1.5
263.09207	16.8
264.09543	1.5
265.05023	2.8
265.10840	1.8
309.09686	1.3
326.79840	0.8
425.14288	1.2
425.19571	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82458	0.4
59.80510	0.4
60.75293	0.4
71.07263	1.0
78.95911	12.4
96.17634	0.4
104.97491	0.6
110.97836	0.7
110.98537	9.0
131.05223	0.4
146.84279	0.4
152.42023	0.4
167.01147	12.6
185.02179	2.6
205.62965	0.4
255.23291	100.0
256.23621	8.7
366.57932	0.4
423.25183	19.1
424.25418	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	424.146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50298	0.9
54.48421	1.0
57.32873	0.8
59.01373	7.8
61.98829	100.0
71.01373	1.7
71.50243	1.3
80.35841	1.0
81.76797	0.9
93.59246	1.0
99.04501	1.5
101.02422	1.2
115.00337	1.5
120.16761	1.0
132.86880	1.1
133.01445	1.4
135.04536	1.1
155.10764	8.4
178.02679	1.4
197.20718	1.3
199.09760	13.9
200.10120	1.7
203.06969	1.0
243.06554	2.0
244.06950	1.9
261.07651	3.1
262.07993	6.7
265.05316	1.3
275.09186	1.1
276.09607	2.7
293.10364	1.1
361.14886	1.7
382.15616	1.2
424.13345	5.3
440.70816	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50298	0.9
54.48421	1.0
57.32873	0.8
59.01373	7.8
61.98829	100.0
71.01373	1.7
71.50243	1.3
80.35841	1.0
81.76797	0.9
93.59246	1.0
99.04501	1.5
101.02422	1.2
115.00337	1.5
120.16761	1.0
132.86880	1.1
133.01445	1.4
135.04536	1.1
155.10764	8.4
178.02679	1.4
197.20718	1.3
199.09760	13.9
200.10120	1.7
203.06969	1.0
243.06554	2.0
244.06950	1.9
261.07651	3.1
262.07993	6.7
265.05316	1.3
275.09186	1.1
276.09607	2.7
293.10364	1.1
361.14886	1.7
382.15616	1.2
424.13345	5.3
440.70816	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65191	0.3
55.82770	0.3
56.22420	0.4
57.35009	0.3
58.62664	0.3
61.26048	0.3
69.48834	0.7
69.49272	2.0
69.49646	0.4
73.42417	0.4
78.95908	11.6
80.21199	0.4
98.20670	0.3
107.43987	0.3
110.98533	7.3
119.80467	0.3
126.97855	0.3
152.62709	0.4
160.52780	0.3
167.01160	8.5
185.02222	2.8
255.23289	100.0
256.23633	8.8
270.38477	0.4
293.00790	0.4
371.24561	0.3
390.78455	0.4
423.25168	15.0
424.25571	1.4
434.71805	0.4
444.92044	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52468	2.0
55.39876	2.5
55.77220	1.9
59.01381	26.2
61.98827	3.4
69.40759	15.5
71.01389	13.6
72.99316	3.0
73.02968	2.7
85.60179	2.4
89.02442	9.3
99.04508	2.5
101.02460	8.1
113.02421	5.2
119.03471	3.5
133.01439	4.4
160.59714	2.1
161.02429	6.5
173.06056	3.0
174.03232	7.2
187.03979	5.3
197.06081	2.3
201.01999	16.3
201.05586	5.7
206.02196	3.7
215.07133	25.5
225.05537	3.9
228.04301	3.4
232.07396	2.6
243.06607	100.0
244.06926	7.0
245.08171	6.7
260.06912	12.3
261.07632	13.0
364.92844	2.4
387.20276	2.5
423.12872	54.6
423.17984	18.9
424.13092	5.8
424.18210	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	423.1815
Annotation	Sanggenol A
Peak:m/z	Relative Intensity
57.03452	14.8
57.63992	0.2
58.03774	0.2
59.01373	0.3
63.02405	0.6
65.00329	0.8
69.19887	1.2
69.20308	0.6
81.03471	0.4
83.01394	2.3
92.82632	0.2
97.41273	0.2
107.01431	1.0
112.68364	0.2
117.35693	0.2
125.02454	100.0
126.02771	3.4
126.64914	0.2
151.00372	2.3
151.71860	0.2
152.01128	0.4
153.01947	0.4
201.79254	0.2
241.16002	0.6
255.23343	0.3
269.15533	0.4
297.14929	0.5
334.77548	0.2
356.07465	0.3
377.17471	0.2
385.50150	0.2
395.18689	1.6
396.19217	0.3
423.18130	8.2
424.18375	1.2
425.41284	0.2
439.68530	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1811
Annotation	Arugosin B
Peak:m/z	Relative Intensity
57.03448	12.6
59.01371	1.0
61.98839	0.6
62.69730	0.5
65.00323	1.2
68.99806	0.5
71.74648	0.5
77.38013	0.5
80.16615	0.5
83.01385	0.6
95.91566	0.5
102.25860	0.5
107.00297	0.5
109.06586	1.9
124.01656	21.2
125.02468	1.3
125.09720	11.7
133.06590	1.5
137.02419	0.6
138.03186	0.5
149.09724	2.5
150.03242	1.1
151.07655	1.5
183.70338	0.5
191.10789	1.9
193.08684	100.0
194.09026	6.8
201.09225	0.7
211.13394	2.1
219.06622	2.3
221.08179	0.6
229.08539	0.7
258.14252	0.5
379.27643	1.1
382.18378	0.6
395.18762	1.9
403.50461	0.6
423.18127	10.5
423.26407	2.0
424.18375	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48962	0.8
57.03434	1.9
59.01381	100.0
60.01707	1.0
61.98814	3.2
71.01379	20.8
71.49696	0.9
72.99310	1.3
73.02952	12.2
75.00877	1.2
79.95731	0.8
80.96513	1.4
83.01388	5.3
85.02948	20.1
87.00865	2.1
89.02457	8.6
95.05009	1.4
96.96014	29.4
97.02911	1.0
99.00861	1.8
99.92580	3.2
100.93336	0.9
101.02442	18.4
105.03468	2.6
108.12663	0.8
109.02936	4.0
112.59698	0.9
113.02462	7.3
115.00359	3.9
115.91324	1.4
115.92080	18.6
116.92104	1.4
116.92844	2.8
119.03498	2.9
119.05003	2.9
121.02938	0.9
123.00811	0.8
123.04500	4.1
125.02422	2.6
127.00356	1.2
129.01930	1.1
130.98233	0.8
131.03529	1.0
133.01443	6.3
133.02966	17.1
134.03758	1.0
135.04530	6.6
136.99133	2.9
137.02463	1.6
138.97069	2.8
143.03456	1.6
146.03766	1.2
149.02444	2.1
149.04599	1.9
149.06026	2.1
150.03180	1.5
151.03983	1.1
159.04439	0.9
159.10260	1.0
161.02429	2.9
161.04541	4.9
161.05957	1.6
163.03969	3.1
164.98590	1.3
165.01846	1.1
165.05540	1.7
173.06097	3.0
174.03186	1.1
175.03976	4.2
175.07626	1.6
177.01927	12.1
178.02618	1.3
179.03462	7.0
179.05588	1.4
182.02228	1.1
187.03979	1.3
189.05557	5.3
191.03433	1.3
195.06645	1.5
197.04524	0.9
199.03931	0.9
201.01759	1.4
201.11322	5.4
205.05107	1.5
208.81841	0.8
213.05547	1.2
217.05074	2.5
219.12379	1.9
221.06810	1.5
225.00749	21.6
226.00748	0.7
226.96457	1.3
227.07114	0.8
229.05107	0.8
231.02962	1.4
243.02963	1.9
243.06477	1.0
244.97591	1.1
257.04517	4.7
258.05124	1.4
259.06122	1.9
261.07642	1.1
263.05695	1.0
271.06046	1.6
299.05652	1.8
303.14423	3.0
307.04477	2.5
313.07428	1.0
321.15543	4.5
361.05838	7.8
362.05869	0.8
363.16599	16.4
364.17072	1.4
423.05826	2.3
423.10764	13.7
423.18274	6.1
424.11237	2.1
424.19116	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62037	0.9
59.01376	3.5
71.01380	50.5
85.02950	0.9
85.76231	0.8
87.13943	0.8
87.86452	0.8
89.02506	0.9
97.06606	6.3
98.01868	0.7
101.02425	1.2
103.63917	0.9
105.03478	0.9
109.02916	1.0
114.20096	0.8
115.00365	14.6
133.02962	6.7
134.03740	100.0
135.04608	8.7
137.02412	2.7
139.03998	1.3
177.01949	8.9
178.02707	23.6
179.03325	2.5
228.92892	1.0
231.10205	4.7
275.09259	9.8
307.11862	78.2
308.12152	6.8
328.17377	1.0
328.70837	0.9
394.41806	0.9
423.22424	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34167	0.9
51.87614	0.7
59.01369	3.6
59.83888	0.8
65.71714	1.0
70.46667	2.5
71.01381	71.2
72.01730	1.2
88.13844	1.0
96.99334	0.8
97.06602	3.0
105.03416	1.1
114.87045	0.8
115.00368	20.5
121.02944	1.8
129.01933	1.7
133.02966	15.4
134.03741	60.0
135.04555	8.7
137.02440	14.8
138.19591	0.9
139.03992	4.1
140.25093	0.9
144.38986	0.8
145.63808	0.9
150.03247	1.4
157.87813	0.8
161.02367	1.2
162.03250	1.3
177.01929	34.1
178.02711	100.0
179.03351	8.5
213.09343	1.2
219.10214	1.8
231.10274	8.4
275.09250	30.7
276.09485	2.1
307.11847	15.9
308.12360	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33573	0.5
56.04192	0.5
57.03435	1.3
58.00583	0.6
59.01375	20.1
66.29875	0.5
69.72367	0.6
71.01378	9.8
72.32762	0.5
72.99308	0.8
83.01393	0.7
85.02936	2.3
86.44735	0.6
89.02438	8.5
101.02443	7.5
102.02752	0.6
110.51508	0.5
113.02431	3.8
119.03485	3.8
130.04185	1.4
138.72287	0.5
147.04468	0.7
161.02406	0.9
173.02440	1.6
174.03203	9.7
175.03989	4.5
187.03961	6.4
197.06056	2.6
198.03210	1.6
199.04010	1.3
199.07620	0.6
200.04742	1.1
201.01912	6.7
201.05522	3.1
203.03523	0.8
206.02156	3.1
213.05550	2.3
215.07095	30.8
216.07472	2.6
225.05513	4.3
226.05916	0.6
227.07159	1.3
228.04285	3.0
242.05800	2.3
243.06592	100.0
244.06915	7.7
245.08211	4.2
261.07706	3.2
285.07718	0.8
335.53275	0.7
405.12000	1.4
423.12943	64.1
423.17236	2.3
424.13190	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	423.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57289	0.6
55.01868	0.7
57.02286	0.6
57.03444	3.1
59.01379	20.4
70.37352	1.8
71.01382	12.3
73.02940	1.5
83.01390	1.3
85.02942	3.5
85.34882	0.6
87.00872	1.4
87.92770	0.6
89.02444	9.5
95.01350	0.6
98.19916	0.9
101.02447	7.7
113.02433	3.6
114.82031	0.6
119.03496	3.3
121.63126	0.6
130.04239	1.7
131.04988	0.7
147.04544	1.8
159.04538	0.7
173.02321	0.7
174.03203	12.2
175.04001	16.2
176.04282	0.8
183.04442	0.9
185.06055	0.8
187.03996	21.5
188.04341	1.2
197.06102	1.6
198.03223	8.2
199.03992	4.2
200.04803	5.1
201.05563	12.6
202.05798	0.7
203.03403	1.3
205.55382	0.6
206.02185	4.9
211.03963	2.0
213.05559	8.3
214.06192	1.9
215.07112	15.0
227.07106	2.6
228.04271	0.9
231.06650	2.0
242.05824	10.0
243.06599	45.9
244.06973	3.9
261.07614	4.1
277.55124	0.7
405.11917	5.9
406.12366	0.8
423.12946	100.0
424.13303	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	423.1299
Annotation	Yunngnoside B
Peak:m/z	Relative Intensity
50.51878	0.8
51.05629	0.6
51.21928	0.6
57.03453	1.6
58.00599	3.4
59.01382	100.0
60.01703	0.8
69.43132	5.0
69.43526	1.4
70.03835	0.6
71.01388	53.4
72.01736	0.9
72.99326	3.9
73.02953	1.4
83.01387	2.1
85.02960	9.1
87.00903	2.6
89.02451	72.5
90.02782	1.1
95.01414	3.1
101.02451	27.0
113.02460	22.0
117.03461	3.9
119.03505	25.9
119.04881	0.7
120.03824	1.0
125.02484	0.8
131.03525	4.0
143.03513	2.6
145.02975	2.3
147.04506	1.4
149.04625	2.1
157.02922	1.3
161.02458	11.6
161.04581	3.2
163.04021	0.9
173.02449	2.0
174.03247	1.3
175.04059	4.2
179.05664	5.4
181.89848	0.8
185.02496	2.0
187.03999	1.0
189.01935	27.6
190.02280	1.1
196.17128	0.7
201.01936	82.6
202.02283	5.8
203.03545	3.4
203.05418	0.6
215.07172	2.6
225.05618	2.3
227.03603	0.8
229.36931	0.7
231.06664	1.1
242.06033	1.2
243.06618	13.4
244.06956	1.4
248.88171	0.8
261.05005	0.6
261.07669	18.0
262.08099	1.6
303.08698	1.6
423.12997	31.8
424.12808	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.6
57.03460	0.5
58.00595	1.3
59.01378	35.8
60.01702	0.6
71.01380	20.2
72.99314	1.3
73.02946	0.6
83.01375	0.7
85.02943	3.5
87.00881	1.0
89.02444	21.5
89.58396	0.5
95.01380	1.0
98.19947	1.0
101.02441	9.2
113.02451	6.8
117.03469	4.8
119.03502	8.2
119.04967	0.6
131.03493	0.5
133.02962	0.5
136.67404	0.3
143.03496	1.1
145.02953	3.5
147.04593	1.0
149.04520	0.4
157.02950	1.2
161.02454	3.8
161.04561	1.3
163.04005	1.4
173.02422	2.9
174.03110	0.6
175.04018	1.4
179.05589	1.6
185.02443	1.0
187.04025	0.4
189.01950	7.1
191.03520	0.7
201.01930	100.0
202.02261	6.6
203.03481	1.3
211.38510	0.4
215.07106	0.8
225.05582	0.5
228.99734	0.5
242.05696	0.5
243.06610	4.4
244.06999	0.4
261.07663	5.1
303.08685	0.5
345.05035	0.4
423.12949	8.6
423.17731	0.6
423.25903	0.6
424.13434	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58993	0.7
53.50324	0.7
58.99862	1.2
59.01384	4.1
59.58691	0.7
61.98812	2.7
69.01954	0.9
69.50359	5.3
70.99862	0.9
71.01361	5.2
72.99307	0.8
73.01473	0.8
73.02940	0.9
74.99365	5.1
80.91683	6.5
82.32484	0.6
82.99886	1.5
83.01380	1.2
85.01434	3.1
85.02924	1.0
86.99368	2.3
89.02435	1.6
97.00524	0.7
97.01495	0.8
98.02457	0.9
98.99373	2.7
99.00903	0.7
100.00137	2.3
101.00951	11.3
101.02422	1.1
102.98864	7.7
111.00893	1.0
113.00945	7.9
114.98832	1.0
115.99645	3.1
117.00459	7.2
117.97556	1.5
125.00946	7.2
126.98853	1.5
127.02454	0.9
129.00438	2.1
130.08694	2.0
130.98363	1.2
133.02966	0.8
135.04541	0.9
135.44600	0.8
141.00441	17.1
142.00575	0.9
143.99126	7.3
144.99988	1.3
152.99269	1.3
153.00429	13.9
154.00618	1.0
155.01988	1.2
156.99937	1.2
167.02025	1.9
168.99873	0.9
171.01431	1.5
179.05632	1.1
183.01468	9.6
184.01613	1.2
193.03554	1.2
195.01471	39.2
196.01688	4.1
198.81279	0.8
201.00731	0.8
201.02563	14.0
202.02647	0.8
207.01457	0.9
217.01932	3.7
224.10400	0.8
225.02591	1.7
243.03569	100.0
244.03758	13.3
255.03535	1.6
261.02338	1.9
273.04657	2.9
303.05621	8.5
319.06430	0.8
341.10840	2.7
363.07840	16.9
364.07892	3.9
423.09653	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76043	1.4
59.01370	2.2
61.98838	1.8
62.14062	1.3
63.30707	1.5
63.59291	1.5
64.24345	1.4
70.91453	2.3
70.91800	2.4
75.46694	1.4
88.98820	3.7
97.82655	1.5
105.01934	4.4
123.33535	1.4
130.50507	1.5
145.02957	3.3
170.90672	1.6
185.02049	1.6
193.08740	4.4
201.09323	2.4
236.98257	1.6
259.37372	1.5
267.57187	1.7
269.04327	1.6
274.40375	1.6
295.06134	17.1
296.06628	1.6
307.06140	8.0
321.11093	1.6
349.10703	6.2
350.11459	5.8
351.12378	45.4
352.12643	4.4
382.10574	9.1
403.15137	7.6
421.16583	100.0
421.25659	3.7
422.16953	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	421.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42728	0.6
58.06490	0.6
69.78260	1.6
69.78673	1.8
78.95907	40.8
82.76573	0.6
87.85116	0.6
98.59645	0.6
104.97523	0.6
110.98537	52.5
137.00078	0.6
152.99615	4.8
167.01154	13.9
185.02200	100.0
186.02563	1.9
205.84781	0.6
249.69933	0.8
251.18022	0.7
253.21713	29.3
254.22000	2.4
374.39023	0.6
421.23608	10.9
422.24130	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2598
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
53.84458	0.8
57.03432	1.3
59.01387	4.6
61.98814	1.0
62.73790	0.8
65.03947	1.0
69.03439	1.2
69.24916	1.7
69.25318	5.9
71.05031	1.0
81.03470	1.4
83.05025	7.4
85.06594	2.6
93.03441	0.8
93.45992	0.8
97.06599	3.1
98.19810	1.7
98.45794	0.9
105.07065	1.0
107.08668	1.3
109.06585	2.0
111.08176	3.4
119.05054	1.9
123.08190	2.0
125.09720	9.3
137.09714	1.5
151.11302	0.9
171.10274	21.4
172.10622	1.4
183.69418	0.8
185.11821	1.3
187.14957	2.8
201.14943	1.2
205.15953	4.0
209.11916	3.1
211.13431	6.4
215.14427	2.6
221.15495	2.1
231.13890	2.2
233.15480	31.8
234.15811	2.5
249.14917	12.0
251.16583	1.5
257.17551	2.1
269.04849	1.0
275.21597	0.9
277.43643	1.0
300.14151	0.8
331.26501	1.4
341.24933	2.6
359.26019	2.3
375.25583	1.2
377.27020	2.6
385.23886	5.4
393.26370	1.6
403.24924	53.8
404.25101	8.3
421.25998	100.0
422.26276	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	421.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.8
61.98816	1.0
67.78901	0.6
70.41327	0.7
74.21087	0.6
125.02447	3.2
131.04974	0.8
146.03757	0.8
160.01660	1.4
163.73462	0.7
175.00392	1.1
188.01157	10.4
189.01576	0.8
196.93719	0.7
200.01137	5.8
201.01805	1.0
228.04520	0.9
239.07062	0.9
243.06532	1.1
251.07077	2.6
263.07162	0.9
267.06653	1.8
279.06662	1.5
280.03751	1.2
292.03882	4.9
293.04477	2.4
294.05438	1.3
295.06055	4.6
296.06760	1.0
306.05362	1.5
307.06125	41.6
308.06598	4.4
335.09158	2.0
336.10123	2.0
342.83557	0.7
347.25848	3.6
349.10828	4.6
350.11578	38.9
351.12155	8.9
398.09979	1.5
421.16574	100.0
422.16885	16.0
441.41425	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	420.2757
Annotation	6-Deacetylperegrine
Peak:m/z	Relative Intensity
57.33258	0.7
59.01375	2.0
61.98829	1.3
71.49900	1.0
74.79633	0.7
75.12309	0.6
91.28436	0.6
96.68166	0.6
121.02959	100.0
122.03323	2.9
124.80130	0.8
165.00153	0.7
192.99678	1.3
203.38852	0.7
215.41075	0.7
220.14735	1.0
256.87311	0.7
272.52142	0.7
420.27527	55.0
421.27859	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	421.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.7
61.98822	0.6
63.02396	0.5
63.28870	0.3
65.00314	0.5
70.45639	0.9
79.63657	0.3
88.01177	0.3
88.98801	0.9
89.02412	0.3
90.04790	0.3
97.02946	1.1
104.12465	0.3
107.01382	0.8
121.02950	2.4
122.03291	1.1
127.13985	0.3
135.00861	0.4
145.02896	0.7
151.00348	0.7
165.12813	0.4
180.05884	0.3
190.77209	0.3
193.08458	0.4
193.80276	0.3
208.05313	0.3
209.06088	0.5
225.05614	0.3
237.05544	0.5
239.03462	0.7
253.05038	1.0
267.03027	0.8
268.03757	1.0
269.04303	0.5
269.60123	0.3
281.04544	18.9
282.05173	5.0
293.04568	9.3
294.05011	1.1
305.04785	0.8
307.06100	1.2
317.08163	0.6
319.06244	0.6
319.09671	0.9
320.06754	0.9
321.07541	1.6
322.08157	0.7
335.09225	4.3
336.09570	0.4
363.12314	0.6
403.15497	2.2
404.15634	0.5
405.13391	0.7
421.16547	100.0
422.16885	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	421.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19028	0.3
59.01370	0.9
60.99295	0.4
62.23934	0.3
63.02389	0.5
63.64595	0.3
65.00324	0.5
65.62212	0.3
65.62569	0.3
71.42253	0.4
74.14561	0.4
83.01369	0.3
86.08801	0.3
88.98805	3.5
89.02431	0.8
91.01863	0.4
94.48863	0.3
97.02939	3.5
97.09442	0.3
97.63822	0.3
107.01396	0.4
121.02944	0.8
122.03175	0.3
137.09706	0.7
145.02942	0.6
151.00397	0.6
157.02896	0.4
157.06490	0.3
165.12924	0.4
176.01151	0.7
193.08398	0.8
195.04527	0.3
207.09979	0.6
209.06079	0.5
224.26505	0.3
225.05536	0.6
233.11510	1.1
237.05641	0.4
239.03395	0.4
249.05562	0.4
253.04929	0.7
258.69693	0.4
265.62393	0.3
267.02911	0.8
268.03757	1.2
269.04398	0.7
281.04532	25.3
282.05118	5.3
283.05496	0.4
287.16382	0.5
293.04526	15.8
294.05075	1.8
295.06110	0.6
305.04547	2.1
306.05396	0.6
307.06097	1.0
309.20639	0.3
313.17944	0.4
314.04306	0.9
317.08170	1.1
319.06021	1.6
319.09692	1.2
320.06830	0.8
321.07651	1.8
331.18951	0.6
333.07672	0.5
333.11441	0.5
335.09262	6.9
336.09579	0.8
337.10703	0.8
349.10724	3.9
350.11102	0.5
351.12439	0.7
421.16537	100.0
422.16873	14.0
422.22601	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1112
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35999	0.9
59.01368	4.5
61.98826	2.4
71.01357	1.3
97.02962	1.1
120.45670	1.1
192.62001	1.2
270.34274	1.2
281.04562	15.6
282.04953	2.0
291.97256	1.2
293.04669	3.6
294.05246	1.3
337.10825	100.0
338.11246	11.9
354.77280	1.2
372.57401	1.2
419.24365	3.4
419.31689	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	419.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10593	0.4
59.01379	79.3
60.01720	0.9
61.98830	0.5
64.98206	0.4
71.01379	4.0
71.50998	0.7
73.02959	1.2
81.41377	0.3
83.01388	0.7
83.21110	0.4
85.02956	1.6
87.04512	100.0
88.04847	2.4
89.02412	0.4
101.02494	1.9
106.81291	0.4
113.02438	1.2
119.59101	0.4
145.12305	0.9
159.04459	3.5
161.02390	0.9
161.04527	0.7
163.85568	0.4
174.03148	0.5
175.03900	0.5
189.05537	0.5
201.01860	0.6
209.11699	0.5
245.08157	0.4
289.16342	0.5
307.17484	1.2
316.63828	0.5
349.18420	0.6
377.21375	1.0
419.26746	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17484	0.6
56.74219	0.5
59.01378	65.8
60.01698	0.7
61.23290	0.6
61.98826	1.1
69.72969	3.5
71.01373	1.0
87.04514	100.0
88.04854	2.0
92.23718	0.5
93.84901	0.5
96.07427	0.6
114.90099	0.6
137.02448	1.0
152.70050	0.6
161.02426	1.0
171.02603	0.6
174.03207	0.8
177.63153	0.6
290.99539	0.6
375.08600	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01719	0.8
61.98822	1.0
63.77827	0.5
71.01395	1.2
75.00900	0.6
75.95670	0.4
85.66823	0.5
114.37048	0.5
389.44485	0.6
408.72168	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02979	10.8
59.01381	6.2
60.40335	0.5
61.98827	4.3
62.34368	0.6
69.33736	4.1
71.01392	4.1
72.00905	3.7
73.02934	1.1
73.04070	8.3
74.02496	0.7
82.06622	1.0
85.02936	0.9
89.02466	1.6
91.05521	3.7
97.04078	1.0
98.02487	3.4
99.00878	0.9
101.02428	1.2
108.08198	1.9
112.07711	1.6
113.02453	1.1
115.05145	6.0
116.03542	0.7
118.06601	0.9
126.09254	1.0
129.10356	14.1
135.04506	1.0
139.08795	0.7
141.10362	1.8
143.11929	1.7
147.04526	17.5
148.04951	0.5
151.08791	1.4
152.07185	7.8
152.89226	0.6
153.05434	1.3
154.03731	0.6
155.08264	1.7
164.07166	46.1
165.07504	2.3
168.11420	17.1
169.09845	1.8
169.11868	0.5
177.10315	0.7
186.12477	38.6
187.12814	1.8
196.09802	1.5
210.12479	21.7
211.10922	3.7
211.12689	1.1
228.13548	3.5
233.16597	9.6
234.16895	1.0
241.71243	0.6
242.73874	0.6
259.14594	0.9
277.15585	6.4
289.16818	0.7
290.18729	7.3
291.19073	0.8
332.19809	4.1
376.18768	100.0
377.19122	13.2
402.20279	2.5
420.21426	13.1
420.26785	1.3
421.21268	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	418.099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	38.5
61.98829	100.0
62.87404	1.3
63.89447	1.6
71.01372	7.7
73.02954	3.4
83.07621	1.7
85.02943	3.2
101.02467	4.1
102.82267	1.4
109.02870	1.3
113.02386	1.5
113.48568	1.3
119.03514	1.4
128.03506	1.9
161.04575	2.9
172.76749	1.4
251.65659	1.5
266.06970	2.3
269.10318	2.4
281.09232	6.8
295.78922	1.6
358.15860	2.0
372.59207	1.6
418.17465	1.8
419.10892	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	418.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56244	0.9
59.01358	1.4
60.48632	0.8
61.98827	100.0
66.06393	0.7
66.30962	0.7
71.04951	1.0
71.05265	0.9
81.28141	0.8
83.44849	0.8
86.03767	0.8
87.00835	0.8
92.58862	0.9
101.07870	0.9
101.31120	0.7
151.00372	1.1
203.10712	1.0
288.40726	0.9
419.24295	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	10.2
60.39500	0.6
61.98829	1.3
67.79108	0.7
69.60194	4.3
71.01366	1.0
76.49373	0.7
78.03608	0.8
103.05528	3.2
121.02977	1.0
130.04234	11.2
134.27126	0.7
136.14854	0.7
145.02933	2.3
146.03722	1.9
148.01657	1.7
149.06100	4.0
159.04509	100.0
160.04860	4.1
161.02414	3.1
170.03749	4.1
171.04346	0.8
173.02431	17.6
174.03210	78.6
175.03545	4.8
185.06012	0.9
186.03183	1.2
189.05563	86.1
190.05913	5.0
192.99612	1.0
196.73489	0.7
199.04036	1.0
201.01933	4.4
203.03476	1.2
211.03902	0.7
214.02725	3.0
229.05061	1.4
245.47281	0.8
246.01703	0.9
273.61148	0.8
315.06595	2.7
321.07623	6.1
322.08246	1.0
343.05930	2.0
360.06226	1.5
375.08719	24.4
376.09161	3.0
376.19952	0.8
380.10242	0.8
419.07755	4.4
419.12616	0.9
420.08206	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74754	0.8
57.03453	9.1
58.00592	5.0
59.01380	100.0
60.01732	1.0
61.98835	1.1
69.03461	2.1
71.01391	9.8
71.05019	1.6
72.99307	1.1
73.02941	4.4
75.00867	1.3
82.23060	0.9
83.01417	1.0
83.05035	1.3
85.02960	3.6
87.00895	1.9
87.04517	8.5
89.02461	3.4
91.08505	1.1
97.06597	2.6
98.02475	0.9
98.19835	1.4
101.02428	4.7
109.06590	1.8
113.02405	1.9
119.03517	1.5
123.08157	4.5
125.02489	1.0
125.06107	0.9
125.09774	1.0
133.01411	1.0
135.04593	1.0
135.08147	1.9
139.07718	0.8
139.11310	3.4
141.09221	2.1
141.12851	2.0
151.11324	1.4
153.09207	3.6
157.12321	2.1
161.04575	2.5
169.12367	5.2
171.13930	1.1
181.12384	5.2
185.11832	2.6
187.13441	2.6
195.08221	1.4
199.13440	3.5
201.14958	1.6
213.09245	1.3
215.12848	1.7
217.14473	2.3
227.10475	1.0
228.13686	2.1
229.14503	2.8
233.17815	0.8
251.20232	1.1
269.10248	1.3
310.40192	0.8
327.25308	1.3
329.23318	3.5
331.27585	1.3
339.25504	3.3
345.26630	1.6
345.83694	1.0
355.25082	1.4
357.26440	58.8
358.26852	6.6
373.25882	1.2
375.27536	19.6
376.27893	2.4
378.75085	0.9
387.27573	4.0
389.24826	1.0
389.29077	58.4
390.29401	6.0
417.28644	78.7
418.29068	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.9
57.03440	1.2
58.00598	1.8
59.01379	69.0
64.37109	0.5
68.13819	0.4
69.03448	1.2
69.25040	1.1
69.25436	4.3
70.48916	0.4
71.01378	31.6
72.01727	0.7
72.99296	2.4
73.02942	25.3
74.03316	0.6
81.12682	0.4
83.01384	7.6
85.02953	8.4
87.00850	2.8
89.02446	14.8
92.82802	0.5
95.01360	2.4
97.02950	1.0
99.00897	1.5
101.02439	26.9
102.02769	0.5
112.35106	0.4
113.02448	10.8
119.03506	4.3
125.02448	0.6
130.08775	0.8
131.03491	0.7
143.03517	1.2
150.57332	0.5
152.01230	0.5
161.04556	1.7
183.13885	0.9
195.13889	16.8
196.14241	1.2
213.14922	7.7
214.15344	0.6
332.07019	0.6
357.19156	18.2
358.19592	1.9
375.20193	34.9
376.20532	3.6
417.21259	100.0
418.21600	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	417.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00927	0.6
59.01382	100.0
60.01718	1.7
69.14220	5.5
71.01400	0.9
75.00884	0.8
87.06158	0.5
93.03439	0.7
94.44365	0.5
98.33069	0.5
101.02386	0.6
111.08172	1.8
116.92801	0.5
121.02956	0.6
125.09762	1.5
128.79402	0.4
173.08250	1.2
184.74670	0.5
187.09853	1.4
417.21628	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	417.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13450	0.5
59.01384	100.0
60.01730	1.3
69.29041	4.6
83.05055	1.5
90.21311	0.6
111.08192	2.4
117.38403	0.6
125.09721	1.5
173.08232	1.8
187.09851	1.8
211.17064	0.7
220.98085	0.8
255.16093	0.8
272.04114	0.6
417.21530	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	416.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45296	9.9
58.41422	10.9
59.01368	14.6
60.54323	12.4
61.98827	100.0
70.28581	12.8
70.33447	13.6
71.50381	11.2
71.50771	21.1
84.94429	10.7
121.02975	21.4
132.12776	13.1
149.02460	18.9
169.98305	13.1
193.34850	12.5
225.24489	13.4
286.42422	12.6
323.56674	14.0
353.10245	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	417.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28652	0.5
59.01383	0.8
69.96632	1.7
71.01385	2.3
71.83188	0.5
73.02945	1.5
74.85334	0.5
85.02955	1.0
89.02448	0.8
89.10217	0.5
95.01357	0.8
97.14207	0.6
108.02179	42.2
109.02976	22.6
110.03237	0.6
119.90553	0.6
121.02943	0.7
123.00871	0.6
151.04004	2.2
152.01157	98.0
153.01506	4.6
163.04021	2.0
163.18552	0.5
179.03546	0.8
188.66248	0.6
241.07167	3.8
285.05927	1.2
304.70905	0.6
417.10379	100.0
418.10706	13.9
418.15149	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	7.7
62.35532	0.5
71.01382	7.7
71.48779	0.8
72.79819	0.5
72.99314	2.2
73.02946	1.2
75.00870	78.4
76.01205	0.8
81.03450	0.7
83.01377	0.7
85.02953	2.7
87.00874	0.7
89.01277	0.6
89.02441	8.1
95.01404	1.9
99.00874	0.7
101.02444	3.7
103.00361	4.1
105.01907	0.9
107.16012	0.6
108.02172	62.1
109.02962	25.0
110.03298	1.5
113.02451	2.3
119.03513	3.0
123.00885	0.5
123.04478	0.7
135.04514	1.7
136.04935	0.6
149.02473	0.9
150.57692	0.6
151.04013	2.3
152.01149	100.0
153.01619	3.9
163.03960	2.5
165.05518	1.2
168.00516	0.6
179.05591	4.2
241.07175	3.8
247.70836	0.7
285.06207	1.0
341.10852	16.1
342.11078	1.2
417.10361	83.7
418.10748	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	417.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66829	0.3
59.01372	2.4
65.69170	0.3
66.40639	0.3
69.89112	1.4
71.01370	2.9
72.99310	0.7
73.02932	1.5
75.00867	11.1
81.03450	0.3
81.91124	0.2
85.02953	1.8
89.02439	2.2
95.01388	1.1
99.00856	0.8
101.02460	0.7
108.02168	59.1
109.02960	25.3
110.03288	0.8
113.02426	0.7
119.03500	0.3
119.50303	0.3
121.02927	0.3
123.00891	1.3
123.04534	0.7
133.02933	0.7
135.04494	0.8
145.02919	0.3
149.02409	0.5
150.03229	0.3
151.04005	2.4
152.01141	100.0
153.01648	4.0
163.04021	2.5
164.53539	0.3
165.05560	0.9
170.27615	0.3
177.01904	0.4
179.03520	0.7
179.05637	0.5
181.05240	0.3
241.07153	4.0
250.66281	0.3
267.04861	0.4
285.06073	1.1
301.92776	0.3
314.86246	0.3
341.10831	2.2
417.10336	93.9
418.10696	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	415.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	2.8
70.71040	2.2
71.44106	1.0
78.95894	5.9
84.70873	1.0
96.98449	1.0
139.73474	1.0
152.99579	25.5
174.98582	1.0
262.44623	1.0
279.23273	100.0
280.23581	12.7
325.16632	1.1
415.22641	8.0
415.32181	1.7
416.22684	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.3
63.32500	0.6
69.84926	2.6
74.99102	7.1
77.00671	75.2
78.01017	1.3
86.23726	0.7
147.08134	1.3
149.09735	0.7
161.09734	0.7
163.11269	2.2
164.73438	0.7
187.11278	1.7
188.63074	0.6
235.67070	0.7
248.75690	0.7
256.90750	0.6
279.13815	0.9
280.14743	0.9
307.17062	0.8
309.22260	2.1
337.21744	100.0
338.22086	15.6
415.23108	12.7
416.23666	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	415.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94666	0.4
57.03452	0.7
59.01376	100.0
60.01723	1.2
61.52321	0.4
61.98835	0.9
69.61317	2.3
71.01379	7.0
71.04984	0.4
72.99302	0.8
73.02940	2.3
82.62875	0.4
83.01405	0.5
85.02956	2.5
87.00877	0.5
87.04512	0.5
89.02443	2.8
101.02447	4.7
113.02448	3.2
115.00339	0.6
119.03568	0.9
127.01648	0.4
128.03543	1.4
133.01514	0.6
133.02977	1.5
140.44470	0.4
143.03427	0.5
144.04575	1.4
146.06094	1.1
156.23369	0.4
161.04533	2.1
177.01918	1.0
179.03401	0.6
183.98087	0.5
190.05142	1.7
207.03053	0.6
237.07817	0.5
249.08957	0.8
269.17670	0.5
287.18829	0.6
355.24896	0.8
415.19632	1.9
415.23901	1.0
416.23050	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	416.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09993	1.0
58.51247	0.9
59.01359	1.1
61.98823	11.2
71.01382	1.0
72.29294	1.0
75.67562	0.9
85.02940	5.2
87.00871	1.6
93.03460	2.0
108.02189	1.6
109.02924	1.2
111.04505	1.4
117.63663	0.9
127.03979	1.2
144.98093	0.9
152.01115	1.8
161.02460	1.6
173.04474	1.0
179.03406	0.9
191.05606	100.0
192.05997	4.6
196.16129	0.9
199.63518	0.8
205.34785	0.8
211.77975	0.9
229.51552	0.9
262.35880	0.8
281.65836	1.0
344.49600	0.9
353.08826	7.9
354.09140	0.9
417.10324	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	415.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.6
57.03448	1.9
58.00583	4.7
59.01382	100.0
59.27520	1.0
60.01727	1.4
69.03461	2.9
70.65054	2.2
71.01384	80.3
72.01715	1.2
72.99314	6.8
73.02946	8.7
73.26271	0.9
75.00906	1.8
81.03461	3.1
83.01380	8.5
85.02948	17.4
87.00882	14.6
89.02448	84.0
90.02776	2.8
91.04055	1.4
95.01390	3.8
97.02965	9.2
99.00871	4.1
101.02443	63.8
102.02784	2.1
111.00900	1.3
113.02453	29.2
119.03505	28.2
119.41397	0.8
125.02462	15.7
127.03974	1.0
131.03491	3.8
141.01923	1.2
143.03482	12.2
149.04501	2.0
161.04562	12.9
179.05605	27.7
185.04541	2.0
221.06639	5.5
235.08231	9.7
245.06696	1.2
253.09280	9.7
263.07687	5.2
287.07828	1.0
305.08731	2.9
323.09860	1.3
397.13617	1.2
415.14572	94.2
416.14859	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	413.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
67.22627	1.4
69.59512	6.7
69.59921	4.3
96.98003	1.5
100.95393	1.8
136.00877	2.0
164.80453	1.9
214.07404	1.6
408.66772	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
69.49017	3.4
69.49422	8.6
85.59772	1.7
98.34938	1.8
98.58395	1.9
101.32491	1.7
123.13347	1.7
123.47570	1.6
139.71983	1.7
285.51401	1.9
288.87473	1.6
387.50250	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	415.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78733	1.2
55.01872	1.6
57.03450	3.0
58.00597	7.2
58.15931	1.2
59.01377	100.0
59.04630	1.2
59.82354	1.2
60.01708	1.8
61.97099	1.4
69.03451	2.6
71.01380	74.7
72.99326	8.4
73.02946	10.6
75.00858	1.8
81.03451	1.6
83.01375	6.1
84.69839	1.2
85.02950	16.8
87.00880	14.2
89.02444	88.4
95.01373	4.6
97.02946	7.8
98.19872	3.6
99.00870	4.4
99.59961	1.5
101.02438	65.9
113.02453	27.0
116.20558	1.3
119.03494	27.8
121.02963	1.5
125.02438	15.5
131.03537	2.6
143.03548	9.3
143.72041	1.4
149.04539	3.6
161.04550	14.9
166.12863	1.3
166.21484	1.4
179.05620	24.4
185.04568	2.4
221.06635	7.5
235.08231	13.8
253.09315	11.5
263.07706	3.8
410.72031	1.4
415.14557	89.1
416.14749	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	413.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.7
57.03443	0.9
59.01379	100.0
60.01706	1.1
61.98833	1.3
69.03458	3.7
71.01382	21.3
72.99315	1.2
73.02946	21.5
74.03279	0.7
83.01380	7.6
85.02941	3.8
87.00897	1.0
89.02457	6.2
94.95284	0.7
95.01388	1.3
97.02973	1.1
99.00892	1.4
99.92638	1.1
101.02444	20.6
113.02437	9.3
119.03537	2.1
131.03508	2.1
138.36060	0.7
143.03548	1.2
149.04579	1.8
161.04532	4.4
181.12463	0.8
185.00934	2.7
207.13800	1.1
229.03313	0.8
251.12927	1.0
251.16769	0.8
365.46448	0.7
371.20831	0.9
413.13605	0.8
413.21527	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	413.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33637	0.3
56.61898	0.3
57.03440	0.5
59.01382	100.0
60.01704	1.0
60.81330	0.3
63.48688	0.3
69.85831	1.0
71.01385	5.7
73.02949	2.5
83.01404	0.7
85.02957	2.2
87.00905	0.4
89.02441	1.7
94.96489	0.3
99.00916	0.7
101.02443	3.9
106.66597	0.3
113.02445	2.0
114.96111	0.3
119.03530	0.4
143.03394	0.3
153.95314	0.3
161.04570	2.0
174.57324	0.3
181.12355	1.5
186.20854	0.3
201.31131	0.3
209.15532	0.8
215.64941	0.3
233.15369	0.3
254.06537	0.3
313.72562	0.3
353.19846	1.0
371.20761	1.8
372.21805	0.4
391.05273	0.3
413.22113	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74186	0.6
56.41009	0.5
57.03455	1.5
57.94044	0.6
59.01381	100.0
60.01722	1.5
61.98837	2.3
69.03471	3.3
69.22486	4.3
69.22891	1.5
70.89618	0.7
71.01382	10.2
72.99330	1.4
73.02953	3.5
75.00887	0.8
79.01909	0.7
83.01430	1.2
85.02940	3.6
87.00890	0.8
89.02463	2.3
91.57024	0.6
95.01387	1.1
97.02987	1.8
98.19868	1.4
99.00892	1.4
99.04527	1.0
101.02452	5.7
103.57142	0.6
113.02442	4.4
119.03545	1.1
130.08771	1.2
133.01411	1.1
135.04532	0.9
141.01970	1.5
143.03497	0.7
143.04619	0.7
147.11798	1.5
161.04597	2.4
162.02249	1.0
165.12886	1.4
183.13951	1.1
185.00977	1.3
203.02014	4.5
209.06218	0.8
251.12985	0.9
251.16521	0.8
353.15979	1.3
353.20129	0.7
354.19977	0.7
371.21191	0.9
413.22598	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	413.182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.1
58.74155	0.4
59.01380	100.0
60.01716	1.6
61.98835	0.8
69.03455	1.0
71.01385	8.4
72.99297	1.2
73.02950	2.2
75.00882	0.7
81.03435	0.5
83.01421	1.1
83.05006	0.7
84.29247	0.4
85.02961	2.3
87.00885	0.7
89.02457	2.2
93.03445	0.6
95.01364	0.6
97.02947	0.6
99.00917	0.8
99.04530	0.6
101.02419	3.3
109.02979	0.7
109.06631	0.5
113.02472	1.8
115.00361	0.9
116.61346	0.4
117.03511	0.5
119.05063	0.5
121.02943	3.0
123.08162	0.6
124.52476	0.4
125.02450	1.1
125.06142	0.5
125.09752	0.5
127.11350	0.7
133.01474	1.1
133.02979	1.4
135.04546	1.8
137.02477	0.9
149.09711	17.6
149.10876	0.9
150.10110	0.8
151.04036	0.6
155.10773	1.1
157.12407	0.8
159.04565	1.1
161.04613	1.5
163.04068	0.5
165.09241	0.9
169.01482	0.5
177.01955	2.2
178.03336	0.5
179.03543	1.3
189.01994	0.6
191.05585	0.5
197.47223	0.4
201.02042	0.7
201.14963	0.9
209.08174	2.3
233.08167	0.8
233.15817	0.6
251.20345	0.8
293.04953	0.5
309.24380	1.3
313.07294	0.7
327.25479	4.4
381.10193	0.6
398.67096	0.5
413.08429	0.9
413.21335	1.0
413.25925	0.8
438.31589	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.218
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29534	0.8
57.03449	1.5
59.01376	100.0
60.01699	1.9
69.03447	4.6
71.01376	21.5
71.50973	0.9
72.99298	1.5
73.02558	1.5
73.02943	22.7
75.00837	1.0
78.96266	0.9
83.01390	6.2
84.04533	1.1
85.02937	3.6
89.02433	6.0
95.01359	1.4
95.15215	0.8
96.71249	0.7
97.02957	1.5
99.00847	1.3
99.04565	1.2
100.27952	0.8
101.01801	1.4
101.02438	20.9
105.03441	2.0
113.02444	8.8
119.03480	3.0
131.03494	2.5
133.02959	9.5
134.03667	1.3
135.04555	1.0
137.02463	0.9
143.03491	1.6
149.04517	1.2
161.02408	1.1
161.04565	4.6
176.04790	4.3
177.01901	6.5
178.02635	2.7
185.00859	2.3
191.03462	1.1
191.07088	3.4
235.02477	1.2
235.06114	10.0
250.73006	0.8
251.16255	1.2
285.15207	1.4
327.25488	1.1
353.19525	1.2
413.08939	0.9
413.21609	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	411.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97639	5.6
59.01379	100.0
62.60454	5.0
70.25465	20.7
79.30602	5.3
88.73954	4.9
127.94877	5.0
131.22736	4.7
142.27451	4.7
263.07013	5.9
329.06555	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	413.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	100.0
59.01378	91.7
66.42065	2.8
69.03446	2.9
69.17011	5.6
69.17423	16.9
71.01375	9.3
73.02943	3.4
85.02946	8.3
86.96327	2.2
92.98896	2.6
96.96004	6.4
98.20695	3.6
99.04521	79.8
101.02457	30.4
125.02460	37.0
129.11348	2.1
143.03427	2.7
161.04556	6.8
185.00952	2.9
195.29459	2.3
222.52383	2.3
269.10309	10.0
412.21588	2.6
413.14960	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	413.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.5
57.03446	1.3
57.99509	0.9
59.01377	48.9
61.98819	2.3
63.11444	0.7
66.63766	0.8
67.01870	0.9
69.03454	100.0
70.03786	2.3
71.01382	9.8
71.51131	1.0
72.99291	2.9
73.02931	2.4
79.01876	3.5
83.01384	1.6
85.02942	4.9
88.11005	0.8
89.02435	3.2
95.01373	2.8
97.02359	1.7
97.02950	21.8
99.00877	26.6
101.02451	4.4
113.02443	4.5
115.00357	1.0
119.03496	1.1
123.00848	1.8
133.02939	0.8
135.04555	0.9
141.01933	7.2
151.31799	0.8
161.04535	1.8
165.12819	1.0
181.12318	1.2
183.13850	4.2
185.00899	71.5
186.01239	4.1
203.01938	6.2
207.37836	0.9
227.12898	3.0
233.15221	1.3
234.16133	0.9
251.16673	1.5
402.45810	0.9
413.14233	4.6
413.21432	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	411.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93541	0.5
55.01886	0.5
55.09751	0.5
56.67615	0.5
57.03447	0.8
58.00590	0.8
59.01378	100.0
60.01701	1.0
66.21579	0.5
69.03477	0.7
69.31332	4.6
71.01382	13.8
72.99314	0.8
73.02943	11.3
73.03309	0.9
83.01382	3.6
83.05059	0.5
85.02939	3.4
87.00867	0.7
89.02451	4.6
95.01392	0.7
97.03004	0.8
98.19938	1.1
101.02447	12.4
113.02448	7.3
119.03515	2.1
125.02483	0.7
131.03508	0.9
134.03766	0.8
135.04541	1.2
137.09698	4.9
143.03525	0.9
161.04588	2.9
179.05632	0.8
179.57179	0.4
214.46039	0.5
267.55685	0.5
299.54971	0.5
410.62698	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26408	2.7
59.01375	15.1
61.98821	14.5
62.98535	2.5
70.33026	6.3
70.33414	5.1
71.01384	3.1
72.99313	3.9
73.88882	2.3
75.00871	48.3
80.98714	2.5
89.02451	5.6
107.38891	2.6
108.09156	2.5
109.65007	2.6
135.02992	53.2
195.13918	10.5
223.13351	7.2
275.20145	7.4
293.21194	100.0
294.21463	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	15.6
61.98835	3.6
69.79057	1.1
70.26023	0.9
70.54579	2.4
70.54945	2.2
71.01385	3.9
72.99306	4.8
75.00870	73.0
89.02438	8.4
99.00883	1.9
112.26765	1.0
117.01890	2.2
119.82333	1.0
120.97347	1.0
121.10222	24.9
125.09771	1.2
135.02995	70.7
136.03409	2.0
171.10257	54.2
172.10594	1.8
177.16512	1.4
178.16547	1.0
185.11801	2.6
231.21150	3.2
249.30356	1.2
275.20132	100.0
276.20447	11.8
293.21198	92.3
293.26047	1.7
294.21497	10.2
385.40710	1.1
411.15240	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	411.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53462	5.9
59.01379	100.0
63.94076	5.1
71.11227	4.7
71.13008	10.5
74.00829	5.0
85.14067	4.7
110.52102	4.6
202.52779	5.1
301.80841	5.4
334.34396	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	411.1661
Annotation	Pteroside Q
Peak:m/z	Relative Intensity
56.82175	0.5
59.01392	2.8
61.98800	0.5
63.32852	0.5
69.03458	0.8
69.42085	0.6
70.65648	0.6
70.65971	1.0
71.01377	2.8
83.01398	0.5
85.02927	0.9
108.02156	0.7
121.02955	14.7
124.01672	0.8
125.02454	1.4
135.04543	1.3
136.05304	32.8
137.05630	1.1
151.03992	1.4
161.02461	2.5
177.02025	0.5
177.09175	3.2
180.04279	54.8
181.04692	3.0
189.09238	0.9
205.12352	2.6
208.08607	0.6
225.84897	0.6
231.10272	1.4
249.11313	100.0
250.11644	6.9
411.07364	1.0
411.16223	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	411.202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01712	0.7
61.98837	3.9
67.89128	0.6
69.03452	1.0
69.22598	5.5
71.01374	3.8
73.02966	1.3
85.02953	1.4
89.02464	2.5
95.01354	0.6
101.02453	1.8
103.51048	0.6
113.02426	1.9
119.03489	0.7
120.01241	0.9
138.57288	0.6
207.03210	0.7
266.60370	0.6
316.73932	0.6
327.21521	0.6
381.06750	0.6
411.23822	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	5.8
59.01376	1.2
69.03452	100.0
70.03788	2.9
70.99122	1.3
71.01376	1.7
72.99288	2.0
73.02944	1.0
78.01901	0.8
79.01881	6.5
85.02954	1.1
95.01390	2.3
97.02945	19.3
98.03264	0.9
99.00879	27.3
108.54435	0.7
125.28557	0.9
141.01924	13.2
148.00717	0.7
162.62550	0.7
171.77583	0.9
181.12370	3.2
185.00902	64.1
186.01254	3.0
194.69962	0.7
201.94713	0.7
225.11346	1.8
226.88086	0.8
294.87057	0.7
411.12967	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	411.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.7
55.01881	2.2
59.01374	40.9
61.98827	9.7
67.01870	2.7
69.03458	78.4
69.22661	15.7
70.03780	2.0
71.01374	17.9
72.99330	2.7
73.02949	23.7
76.86490	1.7
79.01892	16.9
85.02949	5.6
87.00871	3.1
95.01371	10.2
97.02953	82.4
97.03588	4.0
98.19940	3.6
99.00893	16.1
99.04512	18.6
101.02491	2.6
110.03445	2.0
113.02448	3.7
115.00342	2.5
117.62263	1.6
123.00867	6.8
131.03595	2.0
135.04555	3.1
141.01947	84.0
142.02258	2.5
142.87164	1.5
144.95462	1.8
146.73288	1.6
163.11331	9.9
181.12340	100.0
182.12668	6.0
185.00908	59.4
186.01233	2.8
195.02991	1.7
203.01971	12.8
207.10228	5.5
222.79158	1.7
225.11314	43.9
226.11606	5.6
249.03801	1.6
263.84293	1.8
295.10800	1.8
309.18277	1.8
373.72638	1.8
411.12936	31.0
412.13330	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	411.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.7
59.01381	6.1
63.00548	0.7
63.55499	1.0
67.01894	1.2
69.03452	100.0
69.66116	1.6
69.66524	3.9
70.03790	2.2
71.01379	3.5
72.99308	2.7
79.01893	6.3
85.02946	2.4
95.01395	4.0
97.02949	18.6
98.20665	1.5
99.00878	26.1
101.02418	1.3
103.94153	0.7
113.02455	1.9
115.00312	0.9
123.00871	1.1
134.03687	1.7
141.01933	10.0
163.11269	1.3
181.12341	2.2
185.00903	63.0
186.01265	2.3
186.06055	0.8
203.01974	4.2
225.11362	3.2
400.96133	0.8
411.12833	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	409.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60952	0.6
58.91312	0.5
59.01366	1.3
61.98813	0.6
62.06546	0.5
69.17808	1.7
69.18227	3.8
70.85818	0.5
78.95903	18.7
85.52536	0.6
97.06142	0.5
104.97445	0.7
105.08725	0.5
110.98530	9.0
136.31447	0.5
152.99564	8.5
153.00790	0.6
167.01140	11.0
183.01176	1.1
185.02139	2.2
228.85962	0.5
241.21715	100.0
242.22046	8.6
325.18314	4.1
379.22458	0.6
409.23581	16.0
410.24072	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	411.1057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08746	7.4
59.01373	23.1
61.98812	10.6
70.77568	15.8
71.01373	16.6
83.29449	6.1
89.02445	8.8
96.95988	22.2
101.02424	11.3
116.92860	30.5
149.02417	18.3
150.03224	48.6
157.92917	6.4
163.03969	7.7
164.04788	12.1
165.05539	100.0
195.06650	31.3
219.03003	6.5
220.07599	7.1
224.64764	6.2
301.99759	8.4
308.90903	7.9
327.10803	30.6
376.52948	6.6
411.10455	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1267
Annotation	t(6)a
Peak:m/z	Relative Intensity
51.51635	0.7
59.01387	5.7
61.98828	2.7
69.28204	5.4
71.01357	3.2
72.00909	29.3
73.02977	1.0
74.02476	19.7
79.77987	0.7
85.02959	0.7
87.00912	0.9
99.94805	0.6
100.00413	21.0
100.04046	1.7
101.02427	1.0
115.00356	0.7
118.05106	100.0
118.10123	0.8
119.05399	2.3
135.04518	2.9
144.03029	16.4
144.04352	0.8
144.04572	0.7
158.06085	1.1
160.02646	4.6
161.04555	0.8
170.06093	0.9
175.03860	0.8
189.05609	1.0
191.05615	0.9
207.06552	0.8
218.42552	0.8
247.02657	0.8
273.08923	0.7
292.81183	0.7
303.09888	0.9
353.06158	0.9
411.08957	0.9
411.13766	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.8
69.16024	3.4
71.01379	5.5
85.02875	0.4
91.05516	0.9
93.03468	0.3
97.06606	0.4
98.19846	0.6
106.04276	0.3
115.00368	4.2
121.02920	0.8
133.01463	1.9
133.02943	4.4
133.62592	0.3
134.03738	12.4
135.04546	6.1
136.04839	0.4
137.02451	1.6
139.03996	0.4
147.04532	5.2
148.05310	8.7
149.02396	0.6
149.05664	0.5
159.04506	1.4
159.11826	0.4
160.04128	0.3
160.05319	2.3
177.01910	4.5
178.02695	8.2
179.03448	1.9
180.04330	0.3
187.07587	0.3
188.08376	0.6
201.09193	1.3
203.10764	100.0
204.11098	7.3
231.10272	0.5
235.08124	0.3
236.66701	0.4
247.09744	8.1
248.10152	1.1
275.09293	3.1
283.14130	0.3
293.10349	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	409.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26849	1.4
59.01377	6.2
59.07043	1.4
60.78984	1.3
69.19526	2.7
69.19928	9.5
71.01379	37.2
79.75108	1.3
83.51048	1.2
97.06574	3.4
99.83273	1.6
105.03465	3.4
108.79369	1.4
113.02486	1.3
115.00372	23.7
119.05010	1.6
121.02959	100.0
122.03262	4.1
133.01460	13.3
133.02948	28.1
134.03755	51.0
135.04558	19.9
137.02451	10.4
157.99689	1.3
177.01932	31.9
178.02708	40.2
179.03465	14.6
211.08916	1.6
231.10135	6.1
235.74536	1.4
269.03946	1.3
275.09207	20.2
276.09744	1.5
293.10345	38.4
294.10660	4.2
297.60144	1.5
367.56119	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01703	1.2
61.98828	4.6
69.03458	2.8
70.25658	1.6
70.26736	0.5
71.01374	13.2
72.99306	4.1
83.01339	0.5
85.02944	1.1
89.02498	0.7
95.01408	0.6
97.02956	2.0
97.06599	1.1
99.00887	1.2
101.02483	1.5
108.02190	1.2
109.02953	13.0
113.02459	1.1
115.00356	11.7
121.02975	0.9
123.04556	1.2
130.19989	0.5
133.01437	5.1
133.02959	2.1
134.03734	31.5
135.04568	4.5
135.11765	0.6
136.01643	9.5
137.02489	4.5
141.01936	1.6
146.43166	0.5
149.02441	1.0
151.04004	12.8
151.05122	0.9
152.04327	0.9
159.04568	2.0
161.04626	1.3
161.06100	3.0
162.03247	1.8
165.02049	0.6
174.06895	0.7
178.02675	1.7
179.03632	0.5
179.10818	1.9
185.00958	1.5
187.07681	1.1
195.02969	6.5
196.03690	0.7
203.01996	1.3
203.03699	0.6
203.10794	2.1
205.05193	2.5
206.05635	0.5
228.07593	0.9
231.10258	10.0
232.10522	0.8
233.07999	0.7
249.11237	0.9
263.09229	0.7
275.09238	5.1
289.16605	0.8
293.10309	23.0
294.10660	2.5
307.17697	3.4
349.18790	1.6
409.11362	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	409.1503
Annotation	Iandonone
Peak:m/z	Relative Intensity
55.01862	1.0
57.03426	0.7
58.00578	1.6
59.01378	40.2
64.65195	0.4
65.25627	0.6
69.03460	3.0
69.63005	0.4
71.01380	19.2
71.50581	0.5
72.99300	3.7
73.02950	0.7
76.55668	0.4
81.89787	0.5
83.01399	1.6
85.02940	3.8
87.00839	0.6
89.02441	12.6
92.81568	0.5
95.01369	1.8
97.02956	0.7
99.00879	1.2
99.02886	0.5
101.02443	9.2
109.02934	2.6
113.02448	5.1
115.00368	2.8
119.03496	3.4
130.04243	0.6
133.01411	1.3
134.03728	7.5
135.04524	1.1
136.01666	1.6
141.01952	0.6
151.04024	3.6
174.03215	8.5
175.03528	0.5
176.48387	0.5
178.02733	1.6
185.00874	2.0
195.02985	1.2
196.69493	0.5
206.02177	4.3
229.08678	23.4
230.09048	1.5
231.10176	1.7
247.09761	5.5
248.09923	0.5
275.09189	1.4
293.10352	7.0
302.52084	0.5
409.15012	100.0
410.09875	0.8
410.15320	13.6
410.20514	0.8
433.75732	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.259
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
57.03445	100.0
59.01365	14.9
59.85826	4.5
61.98829	5.8
62.56367	4.5
65.72447	5.8
70.73463	5.1
72.30198	4.9
79.05507	10.3
83.05021	80.6
107.05033	14.6
109.06587	35.4
119.08685	6.3
133.01402	6.2
133.06563	6.7
134.92720	5.8
135.08144	23.9
145.09866	12.1
163.11328	5.8
175.11208	8.9
199.11200	7.3
211.40752	6.2
261.16602	5.1
265.15881	15.8
275.18134	5.0
349.21722	98.2
350.21896	17.3
356.21500	34.5
363.16299	5.7
371.23758	12.1
389.24780	66.1
390.24951	7.7
404.54742	5.1
407.16693	7.4
407.25906	56.0
407.32687	28.5
408.26190	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	407.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	51.1
57.90015	9.7
59.01374	33.4
60.59486	7.8
61.98813	9.5
68.40384	8.7
69.32690	8.6
70.10107	38.1
72.44652	9.7
83.05026	90.0
85.02956	8.5
85.75537	9.2
107.05034	21.2
109.06575	65.0
133.06602	14.0
134.70471	9.4
135.08159	26.9
147.06607	10.0
155.70534	9.0
201.87955	9.5
206.27997	8.6
230.72969	9.6
265.16113	11.5
331.20828	12.9
349.21841	80.2
356.21542	45.0
371.23721	22.3
389.24759	100.0
401.69699	11.0
407.26047	58.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0447
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03472	0.6
59.01381	10.4
61.98824	1.1
67.40383	0.5
71.01370	2.8
71.49301	0.7
76.27336	0.4
78.95898	2.0
79.95741	1.3
84.85807	0.4
85.02976	1.1
89.02448	1.7
96.96014	100.0
96.96893	4.6
97.95979	0.4
101.02467	1.8
115.00373	0.7
119.03492	0.9
121.02946	0.8
122.03719	0.6
133.01425	0.9
133.02954	1.1
135.04532	2.1
149.02412	2.5
149.06073	0.5
150.03256	3.5
161.04543	1.3
161.06136	0.6
163.13776	0.4
164.04796	0.5
165.04221	0.7
165.05559	6.6
171.04492	0.5
184.96786	0.6
189.05589	4.3
195.02512	0.6
195.06621	1.2
200.96222	0.6
205.04640	0.6
205.08717	1.0
213.07608	0.5
249.03442	0.5
249.11288	0.6
276.68076	0.6
277.02945	0.5
292.98712	1.0
301.10797	0.8
331.13925	1.1
337.01419	2.6
349.14978	0.7
349.18771	0.6
361.12973	2.7
365.00797	0.6
394.53699	0.4
408.99692	2.2
409.13565	1.1
409.99521	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1349
Annotation	Praeroside V
Peak:m/z	Relative Intensity
51.66204	0.4
53.40512	0.4
59.01383	2.3
61.98814	0.4
65.03969	0.6
69.56567	0.8
69.56966	2.8
71.01402	0.9
79.63933	0.5
83.05019	3.4
86.58923	0.4
91.05547	3.6
92.04613	0.4
93.03467	0.9
93.63128	0.4
96.96066	0.6
99.04707	0.5
105.03421	0.4
107.04986	0.7
116.94305	0.5
118.04346	0.5
121.02990	3.0
122.03726	0.6
124.72345	0.5
130.96829	0.4
133.06598	0.6
134.03755	4.2
135.04536	27.9
136.04880	1.4
137.02374	0.4
149.02504	0.5
155.08646	0.6
161.02470	0.5
173.09732	1.1
175.00296	0.5
183.08127	0.8
190.02687	5.5
191.02953	0.5
201.09221	72.2
202.09549	5.6
203.03406	0.6
205.96744	0.6
222.01645	2.6
230.05847	1.0
243.06654	2.5
244.07353	3.1
245.08195	100.0
246.08533	7.6
277.32443	0.5
407.13419	12.3
408.13705	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	407.192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01725	1.3
69.65374	1.1
69.65787	3.1
71.01389	5.1
73.02956	2.3
77.81782	0.6
82.03000	0.7
85.02972	1.3
87.00892	1.0
89.02449	2.4
101.02436	3.8
113.02467	1.3
130.04337	1.2
133.01437	1.3
135.04567	0.6
138.02039	0.6
156.39139	0.5
158.06158	3.1
159.04512	6.5
161.04633	1.3
175.04036	0.7
202.05263	1.7
203.03540	2.7
203.13062	0.6
227.07181	2.1
247.09813	0.8
258.98969	1.6
259.07245	1.1
271.07574	0.8
287.10477	1.3
305.16068	1.4
312.58298	0.7
313.08401	2.0
315.06219	4.3
329.10593	0.7
331.09402	1.4
347.08871	0.8
347.17261	1.7
365.18246	1.9
375.08716	0.8
407.11395	0.8
407.14120	0.9
407.18964	5.6
408.20096	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.3
58.00587	1.1
59.01380	28.4
69.33819	2.0
71.01380	13.4
72.01723	0.3
72.99298	1.1
73.02935	0.4
83.01384	0.9
85.02951	2.4
85.61268	0.3
87.00861	0.3
89.02444	11.8
95.01371	1.1
101.02441	6.7
103.93560	0.3
113.02447	4.6
119.03500	4.9
131.03488	0.4
149.04536	0.3
159.04468	0.3
181.06654	0.3
183.04533	0.4
199.07655	0.3
203.03511	0.3
211.03995	34.4
212.04462	3.8
225.05544	1.5
227.07126	100.0
228.07458	8.7
407.13461	13.7
407.26428	0.4
408.13876	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.5
60.36381	0.4
61.86327	0.4
61.98840	0.5
69.03478	0.5
69.46608	2.5
72.99271	0.4
74.57410	0.4
83.86976	0.4
95.01386	1.0
132.09998	0.4
133.03024	0.5
134.03798	0.6
135.04550	0.5
148.01669	0.6
157.06593	0.5
159.04648	0.5
161.02448	76.4
162.02808	3.8
173.02451	6.3
173.06100	0.9
174.02898	0.5
189.01941	3.8
192.29469	0.4
201.02025	0.6
201.05579	13.3
202.05890	0.8
211.13191	0.4
216.07903	32.1
217.08311	3.1
244.07388	100.0
245.07771	9.0
287.09177	1.2
407.13434	48.3
408.13812	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	407.1345
Annotation	Praeroside V
Peak:m/z	Relative Intensity
59.01375	1.9
69.24474	0.6
69.24879	2.7
71.01385	0.6
72.99305	0.5
73.20758	0.3
95.01383	1.2
109.02955	0.7
114.34090	0.3
133.03009	0.4
134.03802	0.5
148.01627	0.5
151.04010	0.5
157.06586	0.8
158.48805	0.4
161.02434	73.0
162.02779	4.3
173.01003	0.4
173.02451	6.2
173.06032	0.8
174.02888	0.4
187.03978	0.3
189.01907	4.1
190.88715	0.4
201.05566	13.3
202.05925	1.3
203.10670	0.5
216.07896	29.3
217.08275	2.4
231.10147	0.4
244.07375	100.0
245.07730	8.5
245.11720	0.5
259.09805	0.5
287.09302	1.4
336.24857	0.4
379.13873	0.5
407.13416	46.4
408.13797	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	407.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.6
57.03450	0.5
58.00590	1.2
59.01375	29.1
60.01716	0.4
61.98823	0.2
69.03455	0.5
69.14546	0.1
69.33974	0.9
69.34388	0.3
71.01376	14.8
72.01737	0.2
72.99303	1.3
73.02948	0.7
75.00874	0.2
83.01385	0.8
85.02947	2.8
87.00874	0.5
89.02437	14.1
90.02818	0.3
95.01393	0.9
99.00896	0.3
101.02438	7.4
102.02789	0.1
107.72605	0.2
113.02438	4.5
114.02755	0.2
115.00375	0.3
119.03488	5.2
130.04266	0.3
131.03511	0.5
133.01434	0.4
143.03494	0.4
149.04552	0.2
149.06068	0.2
159.04535	1.1
161.02545	0.2
161.04579	0.2
174.03192	0.3
175.03981	0.2
179.05603	0.3
181.06577	0.2
183.04483	0.3
185.00925	0.2
185.06032	0.2
197.05919	0.2
199.07622	0.5
202.02658	0.7
203.03421	0.8
203.62891	0.2
211.03983	34.7
212.04442	3.3
225.05534	1.7
227.07109	100.0
228.07445	9.2
229.08681	0.2
245.08202	0.2
255.02881	0.2
407.13464	14.1
407.26297	1.7
408.13788	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	406.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.1
59.01380	5.6
61.98829	100.0
71.01394	1.5
71.08424	0.7
85.02955	0.6
93.56068	0.5
101.02483	0.7
109.03001	1.2
133.01486	0.5
135.04526	0.8
137.06067	5.3
163.04025	1.0
181.05055	3.9
251.05702	0.8
283.08356	0.7
341.50244	0.5
343.10355	6.8
383.17883	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95979	0.3
53.69440	0.4
56.73075	0.4
59.01384	3.2
61.98833	100.0
62.98533	0.4
71.01408	1.1
71.16440	0.9
89.02466	0.7
101.02491	0.5
135.04549	0.4
181.53607	0.4
182.25696	0.4
193.05002	0.7
251.05617	1.5
265.49435	0.4
278.61551	0.4
283.08441	0.6
311.17227	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2128
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01869	1.4
56.44794	0.9
57.03447	6.8
58.00594	2.4
58.02967	3.4
59.01379	100.0
61.98827	4.8
63.89072	0.9
64.64999	0.9
69.14692	9.3
71.01379	39.6
71.05031	1.1
72.01727	1.3
72.99309	3.0
73.02937	6.9
74.02473	6.2
83.01400	1.7
83.05035	1.0
85.02943	10.3
86.02436	2.2
87.00850	2.5
87.05648	1.3
89.02443	40.1
95.01363	2.0
97.02953	1.0
98.19853	1.6
99.00851	1.3
99.04526	1.1
99.05643	6.3
101.02440	26.3
102.05602	1.4
105.31223	0.9
113.02450	14.8
115.00388	1.0
119.03497	18.2
120.78699	0.8
122.06111	2.4
123.08162	2.7
125.03560	1.2
125.06077	1.2
128.03543	19.7
129.03909	2.5
133.06912	2.1
135.04547	1.2
135.05574	1.3
140.07184	1.1
143.03485	2.7
143.04602	22.5
144.04919	3.7
146.04619	2.0
149.04573	1.4
159.02910	1.2
160.00652	2.4
161.04581	7.2
164.07100	1.2
167.10748	1.2
179.04407	1.8
179.05634	4.1
180.04855	1.6
183.10324	2.1
192.06601	1.8
197.05713	1.1
207.13913	1.6
210.08806	3.3
211.09143	1.5
223.08475	1.7
225.14897	1.7
243.16045	6.3
245.08195	1.6
247.91043	1.2
254.07819	9.4
255.08238	2.2
272.08911	10.3
273.09222	5.4
277.12170	1.0
289.06879	2.1
303.49655	1.0
306.07654	6.3
307.07864	9.1
308.07526	3.0
345.15222	3.1
346.15588	1.5
351.70248	0.9
363.16592	4.1
405.17291	6.2
405.21771	20.9
406.16583	7.4
406.21744	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	405.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	4.4
58.00588	0.6
59.01380	13.8
61.98818	1.4
69.24532	3.7
71.01395	0.8
71.05010	1.1
72.99314	0.5
73.02941	2.3
83.05058	0.6
85.02921	0.7
87.00845	0.6
87.04518	4.5
89.02465	0.5
91.40137	0.5
93.03462	0.6
97.06585	2.2
101.02450	1.2
109.06589	2.8
111.04540	0.7
111.08169	2.4
113.02455	0.6
113.09717	0.9
120.01245	1.1
123.08166	6.6
125.09694	1.1
127.11331	2.3
135.08177	2.4
137.09721	4.1
138.06853	1.5
139.11267	2.4
141.09207	0.9
143.10776	2.7
149.09724	3.5
151.11256	0.7
153.09219	4.7
155.10777	4.9
156.33937	0.6
157.12297	1.1
167.10756	2.2
169.12350	1.1
184.10976	1.7
204.99648	2.0
219.01089	0.8
243.06534	0.6
259.04492	0.5
261.18585	1.3
263.20154	1.4
277.05417	2.1
279.19641	0.9
281.21207	0.8
283.22815	0.7
295.22665	0.6
297.24265	1.2
299.22302	1.1
325.23950	1.0
327.21680	3.9
343.21442	0.5
343.24847	18.7
344.25140	2.9
345.22791	42.9
346.23206	5.4
387.23746	4.1
388.24039	0.7
395.53183	0.6
405.24905	100.0
406.25247	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	405.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98810	1.1
63.02407	0.9
65.00334	0.6
66.91673	0.4
70.09661	1.7
98.20603	0.6
107.01426	0.5
135.00868	0.8
145.02946	1.1
151.00299	0.6
157.02997	0.6
171.04462	0.4
183.04462	0.4
189.27939	0.4
205.06532	0.6
207.04468	0.5
208.05344	0.6
209.06082	1.1
211.03958	0.5
225.05518	0.7
232.96501	0.4
237.05592	0.8
253.05014	0.8
266.38205	0.4
281.04538	89.5
282.04892	8.7
293.04553	45.7
293.09332	0.6
294.04895	5.0
295.06064	1.0
307.06146	4.5
308.06430	0.5
317.08167	2.1
319.09692	9.9
320.10083	1.5
321.07675	6.7
322.08032	0.7
335.09219	2.5
336.09906	4.4
405.17035	100.0
406.17398	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	405.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.5
61.98832	1.5
84.70585	0.3
94.72569	0.3
100.35388	0.3
145.02928	0.8
148.39719	0.3
159.04727	0.3
161.02426	0.4
171.40486	0.3
186.90700	0.3
189.01903	0.3
201.09253	0.6
203.10822	0.3
222.06662	0.4
224.33162	0.3
229.48833	0.4
239.07066	0.4
249.05536	0.6
250.06259	0.4
251.07121	0.9
253.05193	0.4
263.07022	0.4
265.05283	0.5
266.05652	0.4
267.06586	1.6
279.06607	0.8
281.04691	0.3
293.04688	1.6
293.07556	0.3
294.05151	0.4
295.06061	1.7
296.06290	0.5
298.54935	0.3
305.04523	1.8
305.11884	0.8
306.05093	0.5
306.12384	0.7
307.06125	2.2
317.04544	0.3
321.11221	2.5
322.11920	1.3
333.11353	0.8
335.09232	0.4
349.10791	8.6
350.11475	5.0
351.12033	0.5
361.06265	0.4
361.10754	7.6
362.11270	0.9
375.12146	0.3
382.10526	9.2
383.10849	1.2
389.13855	1.1
405.17029	100.0
406.17368	17.9
408.68591	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1191
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
50.32703	1.2
54.24304	1.2
59.01382	33.0
60.46138	1.2
61.98828	14.0
69.03459	58.0
70.03761	1.9
71.01370	4.9
71.50801	2.4
76.37981	1.1
78.97813	1.2
79.01893	30.6
81.03464	2.9
83.01370	1.5
85.02956	4.1
87.92132	1.3
89.02470	2.5
91.01888	3.7
95.01393	13.1
97.02956	35.3
98.03322	1.6
101.02427	2.9
107.01395	65.9
108.02254	10.5
109.02956	6.4
111.21862	1.4
113.02457	2.2
119.05009	1.4
119.45007	1.1
121.02951	3.2
123.00887	16.5
125.02459	65.4
125.77347	1.3
126.02758	2.5
130.08696	1.4
133.02969	2.2
134.03786	1.5
135.00891	24.1
135.04503	2.2
136.01711	5.6
137.02399	3.4
145.03014	1.6
147.04530	1.2
149.02412	2.1
151.00375	82.2
152.01187	11.6
153.00711	1.9
153.01939	24.2
154.02231	1.1
159.04561	1.5
161.02451	1.6
163.04012	9.3
165.01888	1.2
175.04025	2.3
177.01900	10.1
191.03447	1.3
197.06152	2.2
203.03537	1.9
205.01405	1.4
207.03165	1.4
219.03038	1.8
242.05853	100.0
243.06572	55.1
244.06975	3.9
272.76202	1.4
285.07565	3.5
297.06052	7.5
353.07492	1.3
394.14404	1.4
405.11871	50.9
406.12238	8.2
406.18149	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	405.1193
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
57.03444	0.7
59.01380	7.6
61.98843	4.6
65.00346	0.6
65.03969	2.4
67.01897	1.4
68.99796	0.6
69.15855	2.8
69.16275	1.6
71.01388	3.3
72.99300	0.7
73.02955	0.9
74.02486	2.5
80.02680	1.1
80.92058	0.5
83.01363	0.6
85.02958	0.9
87.00871	0.9
87.68835	0.5
89.02444	1.1
91.01898	41.7
92.02239	1.4
98.42560	0.5
101.02471	1.3
102.57706	0.4
104.03555	2.8
107.05053	2.1
108.02163	3.3
109.02959	26.4
110.03300	0.7
113.02459	0.7
115.00375	4.4
116.05077	1.2
121.02974	1.4
123.04530	0.7
129.10356	6.0
133.01450	9.0
133.02975	1.3
135.00890	100.0
136.01181	3.4
136.07620	0.4
137.02457	4.0
147.04539	0.8
149.02460	1.3
153.01942	89.5
153.10403	0.5
154.02266	3.3
160.07674	0.6
161.02486	0.7
161.04616	0.5
163.03923	0.5
165.76031	0.5
171.11380	4.0
172.07658	2.1
175.04008	3.9
177.01967	4.0
177.05635	0.5
179.03595	0.5
189.02008	0.8
195.03148	0.6
197.06129	1.6
197.13048	0.5
225.05630	0.8
242.11894	1.2
243.06621	12.5
244.07045	1.1
267.06628	0.7
267.72693	0.5
289.07071	0.8
297.06155	12.2
298.06485	1.1
319.16779	1.0
326.75308	0.5
343.24994	0.8
344.19904	1.0
345.22833	0.6
363.19537	0.5
376.18793	5.9
405.11954	9.1
405.20844	1.6
405.25061	2.2
406.11978	1.3
406.19952	4.6
406.25101	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.5
61.98829	100.0
68.36047	0.4
69.14570	1.0
69.14973	4.3
71.01389	0.9
73.02914	0.4
73.85264	0.4
77.74454	0.4
89.02456	0.8
99.68679	0.5
101.02444	0.4
107.43906	0.4
135.04536	4.4
179.03531	1.0
306.07382	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77321	0.3
55.98777	0.3
61.98829	100.0
63.37590	0.3
66.87062	0.3
69.72390	1.5
69.72791	0.5
85.72919	0.3
98.19924	0.4
102.57734	0.3
179.81371	0.3
196.74333	0.3
207.84807	0.3
214.97469	0.3
416.23343	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41608	0.5
61.17989	0.4
61.98827	100.0
69.39719	3.1
69.99244	0.4
74.21812	0.4
77.99502	0.4
98.19897	0.6
113.62720	0.5
223.57791	0.4
320.79486	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
60.19452	0.4
61.98826	100.0
64.35485	0.4
64.99354	0.3
71.11407	0.5
71.11742	0.3
98.59996	0.3
100.74191	0.3
111.03931	0.3
111.30392	0.3
155.89729	0.3
175.58794	0.3
306.37085	0.3
321.11432	0.4
352.20673	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15874	1.5
58.02971	10.9
59.01377	67.9
60.19643	1.6
61.98828	20.4
70.02986	2.7
71.01388	14.6
72.00926	2.0
73.02940	4.2
74.02470	29.6
82.02992	4.1
83.01376	2.0
85.02959	3.9
86.02464	10.3
86.99102	2.9
87.05642	7.4
89.02454	7.6
90.00204	2.1
91.10621	1.8
97.04108	2.7
98.20609	3.9
99.05645	23.1
101.02431	7.6
101.07185	4.1
102.05602	3.0
109.04085	3.2
111.05674	1.9
112.04058	2.4
113.02444	7.7
116.01800	2.0
119.03513	2.3
124.04062	2.3
124.18842	2.0
127.05078	3.3
128.02589	3.3
128.03535	62.2
128.04463	3.9
129.71825	1.9
135.05653	3.9
137.07240	2.0
140.07184	6.3
141.06689	7.4
143.04619	81.2
145.06203	4.4
146.04607	7.9
153.06689	4.2
160.00752	23.3
165.59546	1.7
166.09843	2.4
167.04634	5.5
177.02098	1.7
177.03365	10.0
179.04573	15.3
181.06116	2.8
185.05765	3.4
197.05643	2.6
201.11349	2.7
210.08838	16.7
210.24374	1.7
231.04678	2.7
242.07848	2.8
254.07796	23.3
272.08868	40.9
288.06583	11.3
306.07642	100.0
307.07889	6.1
345.15717	5.6
363.16577	10.3
404.20667	1.9
405.17578	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70749	0.5
57.03444	1.2
58.00597	0.4
59.01375	6.5
59.12767	0.4
59.39331	0.4
61.98836	3.6
63.49828	0.4
63.74178	0.4
65.97135	0.4
67.56455	0.4
69.25531	2.8
69.25948	1.0
69.59122	0.5
71.01376	2.5
72.99307	0.4
73.02938	4.5
83.01385	0.7
85.02970	1.9
87.00850	0.7
87.04524	3.0
95.71714	0.4
97.02946	0.8
101.02445	2.3
113.02468	1.4
118.52455	0.4
121.83240	0.5
125.02457	0.8
135.04486	0.5
135.08139	1.8
137.09718	10.1
138.10031	0.6
139.11290	0.7
143.03505	0.6
155.10777	100.0
156.11111	5.6
164.58012	0.4
168.46477	0.5
169.12309	1.5
179.03531	0.5
181.08696	1.3
199.09750	92.4
200.10089	5.4
213.11269	1.6
241.10826	5.0
242.10968	0.8
403.23553	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56609	2.8
54.09994	3.4
55.09927	3.6
59.01374	6.4
61.98830	100.0
62.03244	3.6
69.69010	3.1
70.00483	12.4
76.14699	3.5
90.69769	3.2
122.03296	3.3
125.06588	3.9
143.04842	3.7
174.90698	3.3
179.22270	3.7
340.08533	4.0
348.25635	3.5
408.60391	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	404.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.4
58.02972	0.6
59.01379	8.0
59.35001	0.3
59.65818	0.3
61.98830	100.0
64.76414	0.3
69.12704	0.6
69.13101	3.2
71.01386	3.1
72.99324	0.4
73.02956	0.7
74.02481	1.0
76.17747	0.3
85.02957	0.8
87.00876	1.6
89.02455	1.6
91.05554	0.8
99.05645	0.8
101.02482	1.3
113.02466	1.4
115.00378	4.6
119.03519	0.5
122.06129	0.6
128.03545	2.2
131.03453	0.4
135.04533	5.6
135.05542	0.6
143.04610	3.0
143.07162	0.4
155.01709	0.5
160.00766	0.6
161.04521	0.4
175.02484	9.3
175.04004	0.5
179.03409	0.4
210.08763	0.4
243.16058	0.4
254.07901	0.8
271.08328	2.1
272.08997	1.5
288.06903	0.5
306.07666	3.8
339.59506	0.3
345.15665	0.5
363.16666	0.5
405.17770	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	19.7
61.98837	13.9
65.63164	1.2
69.03431	1.6
71.01392	6.4
71.50449	1.6
73.02961	3.2
73.73722	1.2
85.02963	2.7
85.68398	1.3
87.00885	3.2
87.04497	1.3
89.02450	2.3
101.02439	4.3
108.04536	1.7
113.02424	1.8
120.04543	5.0
122.06112	4.1
125.02413	1.5
132.04599	6.3
133.01404	1.6
134.06049	2.7
135.04506	11.4
135.08179	1.6
137.09727	3.0
138.05664	2.5
147.03209	4.8
148.04016	5.1
150.05592	4.4
155.10771	10.4
158.02469	2.3
159.04491	2.7
160.04056	3.0
161.04741	1.5
162.05547	2.8
164.03526	2.2
168.06683	2.6
175.02756	13.8
176.03519	18.8
179.03531	9.3
184.07718	1.7
190.05063	4.7
192.02989	2.4
197.11760	1.5
199.09839	7.8
203.03516	3.7
204.03012	18.8
206.04503	1.6
211.13361	5.4
212.05901	4.1
212.10732	1.8
213.06691	2.8
213.11313	1.3
215.11877	2.1
222.07744	2.3
225.06750	1.7
226.07423	1.8
227.08244	9.5
228.05365	1.6
234.04059	5.0
239.08238	4.0
239.11874	2.4
240.10365	3.1
241.10570	4.5
241.14365	2.4
243.07674	2.3
243.11467	9.4
251.12901	2.7
253.06126	8.3
253.09796	4.9
254.06813	3.3
255.03958	1.6
255.07866	7.6
255.11374	5.0
263.08646	1.7
265.06033	3.5
265.09723	2.0
266.06882	3.0
267.07745	3.2
268.08463	5.4
269.06784	1.9
269.09317	12.2
270.09692	1.4
271.07208	9.4
271.10822	3.5
281.09195	11.6
282.69199	1.6
283.07703	1.8
283.10849	20.3
284.08829	2.1
290.35745	1.4
293.05692	2.1
294.06512	9.7
295.07211	2.9
297.05075	5.0
297.08316	1.8
299.06671	3.4
299.10336	5.6
309.08795	27.7
310.09225	3.4
311.06754	3.0
312.07578	3.1
315.10013	2.5
315.13443	1.4
327.05908	2.3
327.09836	37.2
328.10303	2.7
337.01605	1.5
341.11472	9.2
342.11700	1.9
343.09311	3.1
353.07813	7.6
359.12506	7.2
371.08783	14.4
385.10355	8.3
386.10431	2.2
403.03003	3.0
403.11395	100.0
403.23038	3.0
404.11658	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	403.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.9
59.01376	1.6
61.98830	20.4
65.00311	1.4
70.45450	3.0
71.01389	4.5
85.02969	0.9
95.05021	1.3
96.99312	15.5
97.06071	1.1
101.03954	2.2
105.63792	0.8
117.03435	2.3
119.05028	1.9
121.02955	1.0
123.04533	4.0
125.86501	0.8
129.01942	22.0
129.03404	4.3
130.02301	1.3
133.02953	41.3
134.03271	2.1
147.04515	4.6
157.02945	100.0
158.03287	5.2
159.04506	1.0
169.02933	6.8
171.04526	2.3
173.02419	10.5
183.04547	1.5
185.02434	90.6
186.02757	7.0
187.04051	2.2
197.02428	9.4
198.03157	3.2
201.01883	3.6
211.04037	2.5
213.05573	7.4
214.05965	1.1
217.05046	49.1
218.05399	3.7
223.03995	1.2
225.01874	11.6
226.02162	1.7
229.01265	1.2
229.06543	1.7
238.02644	9.6
243.08046	1.5
245.06078	2.9
257.04456	11.1
258.04739	1.1
259.07578	1.6
261.05515	1.2
263.07077	1.8
263.60892	1.1
270.06714	2.3
271.07617	3.2
273.05621	10.1
274.05829	1.1
283.07523	1.7
285.05591	3.9
287.06909	1.4
289.05139	7.8
291.06616	60.3
292.07034	5.4
297.05518	3.0
298.06085	1.0
299.07101	20.3
300.07397	2.3
301.05081	4.5
305.08121	1.1
312.04630	0.9
313.05060	1.4
315.06555	12.8
316.06808	1.6
325.05054	5.6
326.05838	2.3
327.06613	27.0
328.06824	4.3
329.04556	3.9
330.05301	4.5
341.04590	4.1
343.06058	15.6
344.06567	2.2
353.04462	1.7
359.09372	5.9
371.05588	64.1
372.05923	8.6
403.08011	22.3
404.08640	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84557	0.3
51.23142	0.3
59.01374	1.0
61.98827	13.6
62.05899	0.3
63.91212	0.3
69.47028	1.3
69.47453	1.5
71.01387	0.4
72.62764	0.3
93.10832	0.3
98.19916	0.8
117.03506	0.6
121.02988	0.4
122.59223	0.3
123.04488	0.7
133.02951	1.1
141.03424	0.3
157.02945	5.7
159.04413	0.5
161.02408	2.6
169.02946	4.2
171.54370	0.4
173.02425	0.6
185.02444	2.3
197.02425	23.7
198.02779	1.9
199.04164	0.4
207.29163	0.4
213.01799	0.6
217.05032	0.8
223.04008	0.8
225.01920	27.1
226.02251	1.9
250.05901	0.4
259.03818	0.4
259.07498	0.6
269.06155	0.5
270.06696	0.6
271.07645	1.0
272.04666	0.5
273.05542	0.8
281.06137	0.7
283.04245	0.6
283.07602	0.7
285.05521	0.5
287.07120	0.9
297.05536	1.4
298.06158	0.6
299.07117	3.2
300.07440	0.5
301.05032	1.6
309.14810	0.8
314.05774	0.6
315.06653	2.5
325.05118	2.6
326.05496	1.1
327.03040	0.4
327.06586	5.5
327.16428	0.5
328.03412	0.5
328.06873	0.7
341.04422	0.7
342.04880	0.4
343.06116	7.1
344.06339	1.1
352.03995	0.5
353.04568	1.0
353.14108	0.4
356.03137	1.2
369.04056	1.7
371.05573	100.0
372.05890	15.4
403.17789	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	402.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85674	0.9
57.03444	1.1
59.01379	100.0
60.01704	2.6
69.03451	1.0
69.60314	5.9
71.01372	6.5
73.02945	1.7
85.02951	1.9
89.02439	3.4
96.96000	2.0
98.20720	1.7
101.02441	3.2
113.02470	2.0
119.03465	1.3
123.03277	1.2
135.04480	2.0
137.09697	1.1
138.05611	36.1
155.10762	3.5
179.03438	1.5
191.05655	1.3
199.09738	4.1
241.10846	2.5
300.10974	1.7
342.11996	15.2
343.12146	1.7
402.18805	12.7
403.15158	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98806	95.5
71.49683	62.7
102.43046	54.5
165.43008	62.2
390.38345	64.9
403.20169	74.6
403.26376	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	403.082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.9
61.98826	19.1
69.39738	3.3
69.40147	0.7
70.78689	0.5
89.34823	0.5
95.04997	0.6
101.02413	1.2
121.01932	0.6
121.02938	0.8
123.04548	1.3
133.02946	8.8
141.03433	1.3
147.04539	1.1
157.02962	1.8
161.02449	1.9
169.02966	7.1
173.02466	1.4
173.09514	0.6
185.02438	8.8
186.02881	0.7
187.03992	0.7
197.02431	43.4
198.02831	4.6
199.04021	3.0
201.02022	0.6
211.03928	1.0
213.01894	1.6
225.01920	42.6
226.02287	3.1
228.80754	0.6
243.03015	2.7
243.08070	1.7
255.08102	1.3
257.04520	22.9
258.04855	2.3
270.06873	1.8
271.07553	1.8
281.06042	2.0
283.07828	1.1
287.07166	1.3
297.05548	4.1
298.06042	1.6
299.07080	7.8
300.07419	1.4
309.05563	1.2
315.06711	3.2
325.04990	3.8
327.06592	100.0
328.06915	14.6
329.04559	0.7
343.06076	19.1
344.06525	3.3
356.03592	0.7
369.03900	1.6
371.05560	50.8
372.05893	7.5
403.08371	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	401.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01548	0.6
54.05533	0.5
57.03447	1.8
57.39755	0.4
58.00585	0.9
59.01383	100.0
60.01713	1.0
61.98831	0.8
67.97771	0.5
69.03468	1.0
70.11702	2.1
71.01402	2.6
85.02948	1.1
89.02452	1.3
98.20608	0.8
99.00896	0.6
101.02462	1.7
113.02434	0.9
113.09717	0.6
116.67790	0.5
119.03475	0.6
121.02967	10.0
127.11340	0.9
137.09753	0.8
161.04561	0.5
169.12436	0.9
176.82678	0.6
181.06667	2.3
185.00952	0.6
225.05579	1.1
259.59726	0.6
279.23334	1.0
297.24448	0.9
309.24368	1.0
311.25998	1.6
313.07291	1.9
313.23843	5.9
323.25925	1.1
325.23752	1.1
325.27472	0.8
327.21951	0.8
327.25388	1.3
329.27121	0.7
339.25415	1.6
341.26965	40.4
342.27264	4.7
359.28033	30.7
360.28378	4.0
369.10986	0.7
371.27972	0.6
373.29575	15.9
373.34125	1.2
374.30115	1.7
383.24445	1.2
401.08801	4.0
401.29126	75.3
402.09146	1.2
402.29413	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	401.1817
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
51.41492	0.6
55.01890	2.0
57.03444	3.7
58.00603	1.7
59.01384	46.1
60.01728	0.9
69.03468	2.7
70.49416	1.1
71.01385	24.9
72.99300	1.4
73.02950	6.2
74.02468	0.8
74.93385	0.6
77.06221	0.5
83.01392	5.6
85.02950	9.6
85.03401	0.8
87.00896	1.2
87.05653	1.1
89.02449	11.8
90.63839	0.6
91.07652	0.6
95.01410	2.8
96.96022	8.8
97.02990	0.8
99.00871	3.8
101.02449	21.1
101.03103	1.3
113.02448	8.4
114.02864	0.7
119.03514	3.9
119.37861	0.6
123.08157	3.4
130.93604	0.6
159.04555	0.6
161.04576	1.4
177.12851	6.6
185.00990	1.4
195.13916	3.0
201.01918	9.3
201.03534	0.7
202.02118	0.8
221.08495	3.5
221.11810	4.9
239.09694	1.6
341.11270	0.8
357.10751	0.7
401.18414	100.0
402.18686	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	401.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76663	0.7
55.01884	2.3
57.03448	4.6
58.00596	1.0
59.01381	50.9
62.67927	0.6
67.69434	0.6
69.03469	3.0
70.89153	0.7
71.01379	25.4
71.49485	1.1
72.01733	1.2
72.99312	2.5
73.02946	8.0
83.01381	4.9
85.02943	12.3
87.00913	1.9
89.02439	11.5
95.01404	2.3
96.96003	10.1
97.02957	1.2
99.00903	3.1
101.02438	21.3
101.03109	1.2
109.02991	0.8
113.02435	10.8
114.24397	0.7
119.03510	5.0
123.08178	3.1
129.06757	1.1
130.08745	1.9
135.04564	1.5
138.01939	1.3
138.05647	0.9
145.30367	0.7
159.02994	1.0
161.04572	2.8
161.09795	0.9
177.12846	6.8
185.00970	1.9
195.13940	3.6
197.19957	0.7
197.89946	0.6
201.01932	8.9
216.33087	0.6
221.08591	3.0
221.11812	5.4
239.09538	1.6
248.00468	0.6
266.49249	0.7
341.11200	0.7
362.00333	0.7
401.18362	100.0
401.22336	5.3
402.18799	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	5.0
59.01381	19.6
63.77043	0.9
69.03455	100.0
69.32371	0.9
69.69547	5.5
70.03782	2.4
71.01385	7.8
72.99308	2.8
73.02946	8.0
74.19255	0.9
75.62508	0.9
79.01879	7.6
83.01377	2.2
85.02950	4.4
85.61263	0.9
86.03246	1.0
89.02464	3.1
95.01438	2.8
97.02945	19.6
97.06584	5.1
98.19852	1.0
99.00877	27.7
99.01537	1.3
101.02439	4.5
113.02451	3.3
119.03473	1.0
119.05010	4.8
121.06585	1.0
123.00898	2.0
128.02429	0.9
141.01942	14.0
141.05595	2.7
149.09674	2.0
153.09155	1.8
161.04510	2.1
177.09192	5.4
178.36438	1.0
179.13222	0.9
185.00905	77.9
186.01251	2.2
215.09157	5.0
218.78799	0.8
221.11794	3.9
239.13063	1.2
281.10330	6.4
299.11365	2.0
308.58249	1.2
341.12552	1.1
397.61545	1.1
401.10809	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.0
52.00004	0.7
55.01885	5.4
57.03435	1.2
59.01379	2.4
63.70761	0.7
63.82157	0.6
67.01920	0.8
69.03458	100.0
69.36284	4.1
69.36684	1.2
70.03784	1.4
71.01381	3.6
72.99312	2.6
73.02957	5.0
73.70953	0.6
79.01894	8.3
81.55169	0.6
81.89394	0.7
85.02970	3.0
89.02474	1.5
94.91952	0.6
95.01391	2.7
97.02954	17.5
97.06601	3.8
97.76732	0.6
98.03324	0.8
99.00887	30.8
100.01244	0.9
101.02464	1.4
108.42986	0.6
112.63192	0.7
113.02421	1.5
123.00906	1.2
141.01936	12.9
141.05611	3.1
144.05783	0.7
149.09763	1.9
153.09233	1.3
177.09181	6.0
179.10934	0.7
185.00916	82.7
186.01236	4.1
212.39514	0.8
215.09192	5.3
221.11832	3.2
239.13011	1.3
267.67725	0.7
401.10754	13.3
402.11194	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	401.109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	5.7
59.01114	1.2
59.01385	17.3
60.09437	0.7
69.03461	100.0
69.16571	6.4
69.16988	2.4
70.03778	2.3
71.01382	5.0
72.99315	3.0
73.02959	7.6
79.01890	7.5
83.01393	1.6
85.02947	4.6
89.02430	3.4
90.58943	0.8
95.01394	2.9
97.02954	15.7
97.06590	4.9
99.00885	32.7
101.02441	3.7
111.00786	1.1
113.02447	3.7
119.03513	1.1
119.05026	3.5
123.00894	1.7
123.04530	0.8
129.06610	0.8
137.06146	0.9
139.68718	0.8
141.01952	10.9
141.05597	2.3
149.09769	1.0
161.04486	1.5
171.10292	1.0
171.96362	0.8
177.09225	1.1
185.00922	79.4
186.01245	3.8
215.09238	5.5
218.79977	0.8
221.11711	1.3
231.13123	0.9
281.10272	3.2
296.42279	0.8
299.11386	1.6
311.09698	0.9
341.12177	1.2
401.10880	12.2
402.11230	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	401.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	82.4
69.24374	100.0
69.24693	21.3
71.01375	75.1
85.02940	21.8
86.28062	10.6
86.54002	10.7
89.02438	76.6
99.41133	12.6
101.02417	25.3
113.02434	20.5
119.03484	32.4
136.92940	11.2
146.91818	12.1
179.05606	31.2
215.12328	11.8
278.85925	12.4
280.24063	11.4
341.10867	83.5
401.10712	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	400.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33116	7.6
59.01392	12.5
61.98824	31.7
70.44603	19.9
77.65327	8.6
77.71021	8.6
96.23349	8.3
100.01363	7.9
103.26117	7.0
121.02960	100.0
125.09818	8.1
221.71082	9.5
238.04478	7.7
313.07034	33.4
357.06149	8.4
394.78030	7.9
401.08893	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.6
58.00581	1.5
59.01376	26.1
61.98803	5.3
67.01865	2.2
68.99815	1.7
69.03453	13.1
69.18857	10.6
71.01378	24.7
72.99301	6.8
73.02929	4.3
75.00491	1.2
75.00877	20.1
76.86495	1.1
83.01367	2.2
85.02947	25.3
87.00871	8.3
89.02455	6.5
93.03436	2.0
95.01374	5.8
97.02971	3.5
97.06590	2.2
98.20638	3.2
99.00878	13.4
103.00327	2.6
106.04223	2.7
107.05029	11.8
113.02444	30.0
115.00381	2.8
117.01904	2.6
121.02934	3.9
123.04519	4.8
129.01944	2.1
129.69545	1.2
133.02957	9.2
137.02487	1.9
141.01897	2.9
151.04005	20.7
175.02440	2.7
179.05629	1.9
185.00882	11.1
197.04469	1.6
210.95744	1.3
225.07597	2.0
227.21727	1.1
231.05055	1.8
249.03551	1.3
249.06125	31.1
267.04318	2.8
267.07193	56.3
268.07617	2.3
292.16147	1.3
383.09744	2.5
393.17099	1.4
401.10843	100.0
402.11203	12.0
418.36923	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	399.093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.8
57.03445	15.6
59.01383	5.8
69.03454	1.3
70.65607	2.9
71.01375	9.4
72.99297	1.0
73.02931	2.7
75.00880	3.4
83.01383	10.1
84.02176	1.4
85.02949	89.7
86.03297	1.7
87.00874	2.0
101.02449	7.9
103.03989	1.0
111.00881	34.2
112.01226	1.2
119.49741	1.1
123.22280	1.0
125.02419	1.2
129.01944	32.1
134.03745	12.8
147.03017	2.7
149.06154	1.2
161.04535	2.0
187.02480	2.3
193.05057	3.8
205.03519	36.1
206.03899	1.8
207.82741	1.1
219.98642	0.9
223.04579	100.0
224.04889	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	399.2246
Annotation	Bisucaberin
Peak:m/z	Relative Intensity
57.03466	0.7
57.37485	0.6
58.02978	6.6
59.01378	21.0
65.38904	0.6
66.03488	0.9
69.03452	4.7
70.02978	0.9
70.49104	0.9
70.49437	1.4
71.01390	5.0
72.99314	0.7
73.02941	1.9
74.02473	45.3
82.06622	1.4
83.01417	0.7
84.08160	0.7
85.02974	3.7
87.05638	28.5
88.04034	1.0
89.02448	1.2
97.02947	1.6
97.04064	0.9
99.00854	1.7
101.02447	1.9
101.07209	1.1
111.05634	1.9
112.02786	3.3
112.04041	0.7
113.02421	1.3
115.00375	0.7
115.08808	0.7
116.07190	2.3
117.03437	1.2
121.02982	0.9
125.03574	1.4
126.05592	1.5
129.01903	0.6
129.06702	34.1
129.10336	23.5
130.05086	0.6
130.07103	0.8
139.07672	0.9
139.08759	3.7
140.10733	0.8
143.11931	0.8
145.03009	0.7
152.46060	0.7
153.10353	1.0
155.08305	3.9
155.11873	1.9
157.13503	1.0
161.04570	0.9
163.03987	0.8
166.08720	2.9
168.13913	0.7
173.09309	7.0
177.09277	0.8
181.13527	1.1
182.12978	2.3
183.11383	2.1
183.14992	1.3
185.00899	2.7
185.16530	1.2
194.11856	1.6
200.14032	2.4
201.01923	42.2
202.02278	3.2
207.14909	1.5
211.14528	1.9
214.15578	1.6
219.06761	0.9
221.16486	0.8
223.04604	1.0
224.14009	1.7
238.19220	1.5
242.15041	1.8
242.18744	18.2
243.13605	0.9
243.19153	1.8
251.11389	2.1
251.13828	1.4
258.99054	0.7
263.08917	0.6
280.20233	3.1
286.17667	1.4
313.22449	11.1
314.22961	1.4
324.19238	0.8
348.77405	0.8
355.23505	3.7
357.21521	1.7
399.22449	100.0
400.22757	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	398.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33782	0.4
58.62681	0.4
59.01364	1.7
61.98829	0.6
69.66841	0.4
70.06095	0.6
70.06486	1.0
71.01365	1.9
75.00874	0.9
85.02939	1.2
89.02440	0.5
101.02451	1.6
111.00852	0.4
113.02529	0.5
115.00372	1.0
130.08730	100.0
131.09082	3.9
133.01456	2.5
148.89818	0.4
161.04527	1.1
179.03456	1.0
215.00073	0.4
217.00301	0.4
262.21722	0.4
267.10880	4.4
294.00037	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33360	0.8
54.42440	0.8
55.01883	5.4
57.03454	18.8
59.01380	3.0
60.07185	0.7
61.98834	6.1
64.93053	0.8
67.01904	2.4
67.36981	0.8
70.02311	3.2
71.01373	5.8
72.99353	0.9
73.02950	1.8
75.00877	1.6
83.01389	9.4
84.02174	1.9
85.02955	100.0
86.03297	2.9
100.54093	0.8
101.02465	5.3
101.06772	1.0
103.01022	0.9
111.00888	29.2
117.03490	2.1
129.01952	40.6
130.02287	1.7
134.03746	11.0
149.06154	1.4
161.04558	3.0
187.02504	1.9
193.05067	8.1
205.03545	23.4
206.03822	1.4
223.04607	24.0
389.80771	1.0
416.02246	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86878	0.9
55.01873	3.6
57.03444	17.7
59.01375	2.0
67.01886	1.6
68.99831	1.1
69.03450	1.5
70.56490	1.1
70.84563	2.3
71.01383	5.1
73.02953	2.1
75.00875	1.8
83.01389	8.2
84.02172	1.4
85.02947	100.0
86.03303	2.2
87.00867	0.9
99.00877	1.0
101.02453	5.5
111.00875	31.4
129.01942	40.6
134.03720	12.5
149.06129	1.1
161.04543	2.8
170.48637	0.9
185.00920	1.1
187.02446	1.9
193.05016	8.2
205.03519	25.7
223.04587	17.2
283.23322	0.9
310.09277	1.3
337.16830	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35196	0.5
55.01876	7.9
56.13029	0.6
57.03445	6.6
58.00587	1.3
59.01379	39.7
69.03452	1.2
70.26611	2.2
71.01380	100.0
71.83491	0.6
72.01717	1.9
72.99302	2.6
73.02945	36.6
74.03288	0.8
75.00884	1.4
83.01389	18.9
83.01894	0.9
85.02950	47.4
86.00076	1.3
86.03309	1.3
87.00884	4.3
89.02432	7.1
92.43356	0.6
95.01391	7.4
96.82002	0.6
97.02952	2.4
98.19833	0.6
99.00266	1.2
99.00886	14.9
101.02441	78.2
102.02781	1.9
111.00880	1.9
113.02447	41.9
114.02773	0.9
125.02457	2.8
128.03555	2.6
129.01945	2.2
133.01485	0.8
143.03473	5.6
149.90366	0.6
159.02985	12.6
160.03323	0.8
161.04550	62.4
162.04933	1.8
184.52258	0.6
205.03488	1.5
269.15833	7.7
307.53735	0.6
307.57281	0.6
397.22293	16.4
398.19617	1.2
398.22925	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
60.54796	2.7
68.53650	3.0
69.90082	2.6
71.05336	6.0
71.96772	2.5
79.95734	15.7
81.29591	2.9
86.01302	2.7
89.66221	2.6
95.54532	2.6
96.96012	97.8
101.47663	2.9
116.03852	2.7
122.97581	4.8
127.48068	2.5
160.35422	2.9
312.17133	4.5
388.22195	3.3
397.22607	100.0
398.22906	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	397.1143
Annotation	Picraquassioside A
Peak:m/z	Relative Intensity
53.14304	0.4
57.33987	0.4
59.01370	2.0
63.99314	0.4
69.34924	2.7
70.09955	0.4
71.01387	1.0
84.05428	0.4
89.55687	0.4
93.03458	1.7
102.05603	2.6
103.05965	0.8
128.03555	2.1
129.03926	0.6
135.04538	0.8
137.02449	5.6
146.04613	3.9
147.04918	1.2
161.02451	9.9
161.21695	0.4
162.02812	0.5
173.02443	1.0
174.03201	4.5
175.03568	1.7
176.04808	43.3
177.05099	2.6
189.05573	2.5
190.05986	0.9
191.07155	46.2
192.07478	3.0
201.01939	3.7
202.02650	0.7
217.05074	10.2
218.05467	0.6
220.03831	0.8
233.04672	2.1
234.04926	2.0
235.06137	100.0
236.06459	8.1
291.65854	0.5
299.07813	0.6
366.42664	0.4
397.11383	2.9
397.17056	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	397.1292
Annotation	Dulxanthone E
Peak:m/z	Relative Intensity
55.72166	1.2
59.01365	3.4
61.98821	2.4
65.00327	2.5
70.05459	1.4
70.05796	4.8
71.01417	1.3
109.02956	1.6
113.22904	1.3
123.22498	1.2
133.02953	5.5
133.06577	5.0
149.02435	3.9
158.44992	1.2
165.09254	1.4
170.28252	1.3
175.03998	1.8
177.01985	2.2
177.09119	2.3
189.02100	1.3
189.09178	1.5
190.02696	1.8
195.10263	2.8
201.01912	4.4
201.09189	1.6
212.04459	1.3
213.05557	1.5
219.10178	2.8
233.08141	2.1
245.08112	5.2
263.09229	3.7
281.04562	1.4
323.12949	2.5
324.77512	1.2
367.11978	1.7
379.11835	12.6
380.12057	1.6
397.12906	100.0
398.13199	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	397.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.0
57.03463	2.4
57.21553	1.4
58.00589	6.0
59.01382	100.0
69.03458	8.4
70.67976	3.1
70.68342	2.8
71.01385	96.2
72.99320	7.5
73.02946	19.4
75.00877	1.6
81.03470	5.0
83.01389	13.5
83.63182	1.9
85.02957	19.1
87.00880	18.8
87.04537	1.8
89.02449	71.4
90.02724	2.3
95.01392	7.5
97.02962	20.4
99.00892	6.3
101.02449	71.3
102.02778	2.6
103.04022	2.2
109.02979	2.5
111.04504	4.7
113.02460	29.9
114.02681	1.8
115.04044	2.8
119.03500	25.9
121.02967	2.0
124.01643	1.7
125.02470	23.7
131.03513	4.6
131.75369	1.4
133.05074	5.8
135.04532	1.4
139.04001	3.5
141.01932	2.1
143.03513	10.6
149.04556	1.8
156.29294	1.4
161.04578	13.3
179.05646	6.7
185.04605	1.8
217.07211	5.5
221.06708	4.2
231.29939	1.8
235.08235	23.7
236.08578	1.9
245.06682	2.6
253.09286	2.5
263.07751	2.1
277.09375	2.2
361.11316	1.8
379.12521	3.2
397.13547	77.2
398.14020	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	395.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
58.31100	0.5
59.01379	100.0
60.01718	1.6
61.98831	0.8
65.59098	0.5
68.38832	0.5
69.34206	5.0
71.01399	1.8
73.02966	0.8
73.94480	0.5
85.02939	0.9
89.02443	0.7
96.51498	0.6
97.52849	0.7
99.00904	0.5
101.02441	0.9
106.46575	0.6
115.81622	0.5
132.68082	0.6
135.04459	0.7
394.13568	0.6
395.18802	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29299	0.4
56.92262	0.3
59.01363	1.8
61.98829	2.2
66.27837	0.3
71.01383	0.9
75.00846	0.5
86.57437	0.4
86.65883	0.4
94.17486	0.4
99.92570	1.0
115.92023	0.5
116.92837	1.1
133.01497	0.4
135.02995	1.1
183.01158	1.1
184.02090	0.4
259.20505	0.7
277.21707	100.0
278.22034	11.0
278.24976	0.8
298.97638	0.5
311.16861	4.4
395.24176	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	396.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.6
59.01379	15.3
67.91783	0.6
69.03461	1.1
69.19776	5.9
69.86981	0.5
71.01385	4.7
72.99297	0.8
73.02944	1.8
84.04552	2.3
85.02972	3.8
85.03389	0.7
87.00886	1.0
89.02450	1.4
95.01379	0.6
95.07279	0.7
99.00873	1.0
100.04057	1.4
101.02419	3.0
102.05607	70.1
103.05931	1.3
104.45667	0.6
105.03504	0.8
113.02439	4.5
113.85890	0.5
123.77812	0.6
128.03542	63.8
129.03905	2.2
133.01422	1.1
133.02982	0.7
135.04558	0.6
146.04591	100.0
147.04935	3.4
161.04445	0.7
161.09715	2.2
161.13298	0.8
163.11287	1.0
177.01924	10.9
179.10809	0.9
179.58055	0.5
186.82082	0.6
189.09221	0.8
190.09511	0.8
205.12358	1.0
207.10208	0.8
223.13420	7.3
243.06689	0.8
249.11356	0.8
253.18086	2.1
253.20686	0.6
267.12424	4.9
292.15582	1.5
309.07953	1.2
334.16364	1.2
336.14645	2.4
339.07156	0.7
352.17719	1.0
378.15466	2.2
387.32721	0.7
396.16595	51.8
397.16959	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	393.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01711	0.9
69.54454	4.0
71.01379	1.2
96.47728	0.6
306.99994	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42709	0.6
69.72957	3.1
73.06454	0.6
85.97118	0.6
92.13911	0.6
98.20560	1.2
121.02951	0.7
145.02951	0.9
146.03702	1.5
147.93166	0.7
161.02419	1.0
173.02428	27.3
174.03209	92.0
175.03571	4.4
189.02061	3.9
189.05565	51.5
190.05919	3.2
218.02109	3.5
233.04536	100.0
234.04878	9.6
279.96777	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11533	0.4
58.00579	0.4
59.01378	12.2
61.68459	0.4
69.49255	0.7
69.49657	1.7
71.01377	5.9
83.01344	0.4
85.02946	0.9
89.02441	7.4
89.02946	0.7
98.19932	0.8
101.02438	4.2
113.02419	1.9
117.03455	5.5
119.03484	3.4
125.00814	0.4
127.30064	0.3
129.03467	0.6
137.18201	0.4
145.02951	2.9
146.03685	0.8
147.04507	1.0
154.89749	0.4
157.02905	0.5
161.02417	0.6
163.04024	1.5
173.02435	9.5
174.03210	41.4
175.03574	3.3
176.29858	0.4
189.05560	34.4
190.05919	2.4
201.01920	100.0
202.02260	6.9
233.04529	22.6
234.04915	1.9
246.69136	0.4
395.09717	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	391.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70197	0.3
57.03449	6.0
58.00595	0.6
59.01382	6.3
69.03454	1.0
70.80145	0.7
70.80519	0.7
71.01389	2.7
71.05011	0.9
73.02943	2.2
85.02947	3.6
87.04517	2.8
89.02441	0.5
93.98715	0.3
95.05037	0.4
97.06590	1.4
99.08149	0.4
101.02447	1.1
101.06129	0.3
109.06564	0.9
111.00889	0.9
111.08149	1.7
113.02372	0.4
113.09722	0.9
115.00353	1.0
123.08174	4.3
125.09739	0.4
127.11265	1.0
129.01929	1.2
129.09238	0.4
133.01422	0.7
133.02951	0.4
134.03745	0.7
135.04535	0.8
135.08179	1.0
137.09702	2.2
138.06874	0.3
139.11253	1.6
141.09219	1.4
143.10785	0.5
149.09692	2.2
151.11279	0.7
153.09203	2.5
155.10782	2.5
157.12375	2.4
161.04488	0.4
167.10802	1.6
169.12370	1.5
173.11797	0.8
184.11023	0.7
185.11717	0.7
187.07567	0.4
187.13437	2.2
202.06409	0.5
205.03534	0.8
213.09158	0.4
217.14395	1.3
223.04474	0.3
231.10269	1.2
231.48991	0.3
263.20065	0.7
275.09229	4.4
276.09808	0.4
281.21213	0.7
307.22687	0.3
329.10410	0.4
343.24899	0.9
345.26346	2.0
373.25748	0.8
391.26990	100.0
392.27335	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	392.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	14.0
61.98828	100.0
62.69098	3.8
64.33160	4.4
67.68396	4.1
69.19604	46.6
71.01354	5.1
82.03981	5.6
91.84532	5.0
98.19836	9.0
132.39799	4.8
255.41106	4.4
293.55066	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	391.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.1
57.03451	1.6
58.00595	1.0
58.61103	0.5
59.01379	100.0
60.01699	1.0
62.11550	0.5
68.60824	0.5
69.03458	0.8
71.01382	27.6
72.99310	2.5
73.02953	7.5
74.02464	1.4
75.80025	0.7
83.01402	2.0
85.02938	5.3
87.00912	1.0
87.54135	0.5
89.02447	16.5
95.01401	1.6
98.20749	1.5
99.00929	0.9
101.02445	12.9
102.02820	0.8
103.01097	0.5
110.55887	0.6
113.02452	7.4
115.00367	11.9
116.05070	0.6
119.03508	6.1
121.02956	2.7
125.09689	0.9
133.01422	20.3
134.03731	0.6
137.09708	0.7
143.03511	1.8
146.03741	1.3
150.07358	0.7
155.10782	2.6
158.03789	3.3
159.04520	5.9
160.05057	0.7
161.02454	0.5
161.04593	2.2
164.96002	0.6
165.05544	0.8
166.06361	8.6
171.62343	0.6
172.05299	1.8
173.06075	2.5
174.06833	1.7
175.07613	1.7
179.05630	1.2
181.08701	8.7
182.45348	0.6
186.06865	3.8
187.03981	1.4
187.07643	13.4
187.13423	2.3
188.08163	1.2
195.06750	0.7
199.09779	2.7
201.05597	0.8
202.06343	4.3
203.06993	0.9
203.10786	3.0
211.13445	3.7
213.09186	7.0
215.07161	3.0
216.07825	0.7
229.14655	1.4
231.10257	13.2
232.10687	1.0
245.09230	0.7
257.08252	1.6
275.09250	38.2
276.09479	4.3
299.05347	0.9
317.23361	0.9
331.09375	0.7
331.17593	2.7
349.18674	5.2
373.18448	3.6
391.19717	54.1
391.26965	8.2
392.20151	7.5
392.27423	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	391.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53332	0.5
55.01884	0.9
57.03447	1.6
59.01376	100.0
60.01707	1.5
66.93884	0.5
69.26976	2.2
69.27401	1.9
71.01379	22.3
72.01735	0.6
72.99315	1.1
73.02944	6.6
83.01361	2.3
85.02954	5.8
87.00891	0.8
89.02446	11.1
93.28786	0.4
95.01373	1.0
97.02944	0.7
98.19903	0.7
99.00898	1.4
99.04533	1.1
101.02444	12.2
103.16994	0.4
106.06620	1.1
113.02445	7.8
115.00341	4.1
119.03498	5.9
125.02427	0.6
130.08768	2.0
133.01405	4.3
135.04532	1.5
141.33810	0.5
143.03519	1.6
143.10770	1.7
149.06073	1.1
150.03299	0.7
150.05573	0.8
151.03996	0.8
154.06177	0.6
155.10773	4.4
158.03793	0.7
159.03297	0.8
159.04500	3.6
161.04547	4.5
161.05824	0.8
164.07220	0.4
165.05672	0.5
166.06320	0.8
173.06087	1.9
175.07657	0.8
179.05653	1.7
187.04048	1.1
187.07613	7.4
187.13426	1.4
188.08090	0.6
199.09727	2.8
201.05544	0.5
202.06343	1.8
203.10832	1.8
209.04526	0.7
212.38885	0.5
213.09308	0.6
215.07112	1.8
216.07639	0.5
219.06699	0.5
231.10242	6.2
232.10458	0.5
271.16711	1.6
275.06174	1.0
275.09232	22.0
276.09619	2.0
331.17532	3.1
349.18597	9.0
349.22421	0.7
350.18997	1.2
356.09909	0.8
359.07690	0.5
391.19470	4.6
391.27365	1.2
392.19919	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	389.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59782	27.4
52.54551	31.1
55.73823	31.9
59.01372	100.0
59.39722	27.1
63.02714	28.2
75.41959	30.4
98.20657	78.1
131.29445	32.5
190.98195	34.0
240.67857	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
69.68332	54.0
69.68735	15.9
101.50597	11.9
162.14737	9.7
168.30247	10.2
205.87027	10.9
230.23526	9.5
251.14729	11.1
340.82056	10.4
371.06189	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	390.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81343	2.3
58.05940	2.6
59.01374	4.9
61.98827	100.0
69.70354	16.9
71.01379	36.8
95.76369	2.7
98.19900	4.4
102.30872	2.3
115.00352	8.9
132.50012	2.8
133.03006	3.1
134.03725	54.3
145.02939	5.0
149.02419	2.9
161.02415	6.8
162.03209	43.2
227.70837	2.8
231.10172	3.9
251.70874	2.6
275.09241	95.0
298.93521	3.1
301.38187	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	390.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28004	3.2
54.96751	2.5
57.03432	3.0
57.54806	3.2
59.01375	20.2
61.98825	100.0
69.84789	15.9
71.01383	17.7
72.99287	3.8
74.16183	2.5
98.19841	2.6
115.00382	6.7
119.00687	2.6
127.88141	2.8
130.04228	5.2
131.04524	3.7
133.01414	7.9
133.02957	7.4
134.03769	5.2
135.04471	3.6
159.04543	25.9
160.04832	24.3
171.04544	2.9
176.03523	2.6
178.02719	6.0
179.03055	3.6
194.46053	2.7
199.04066	6.6
275.03479	9.1
275.09354	7.8
291.06403	3.2
292.06863	3.5
293.04260	3.5
303.03036	8.5
331.02371	6.6
346.07910	9.1
391.04367	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	391.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42229	0.9
59.01365	3.3
61.65888	1.0
65.39913	1.2
67.11598	1.1
69.99851	2.9
70.00262	2.6
71.01385	44.2
77.99548	1.1
78.20630	1.0
83.71944	1.0
85.48738	0.9
89.03976	3.3
97.06573	2.7
98.19932	1.2
105.03449	2.0
115.00373	18.1
116.80220	0.9
117.03477	13.1
119.05042	1.4
121.02924	1.0
125.02589	1.0
133.01436	10.4
133.02956	9.5
134.03748	52.3
135.04578	11.3
137.02422	2.4
145.02924	3.7
149.02432	2.5
151.97968	1.1
161.02455	9.5
162.03232	35.7
163.03535	1.0
177.01918	8.4
178.02707	12.0
187.07570	1.0
231.10265	5.5
275.09265	100.0
276.09604	12.4
289.89835	1.1
325.57120	1.2
392.18909	1.2
413.33658	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1814
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
50.84206	0.3
51.03373	0.3
57.03451	1.3
58.00593	0.3
59.01377	6.7
67.12711	0.3
69.23318	3.1
71.01383	3.7
73.02952	0.5
85.02924	1.6
85.17406	0.3
89.02438	2.5
95.01379	0.6
97.06597	0.5
101.02436	2.1
104.99298	0.3
111.08169	1.6
113.02443	4.1
119.03493	1.0
122.65656	0.3
161.04556	0.6
165.12833	22.7
166.13217	1.9
171.13823	0.4
179.05640	0.6
181.12402	0.8
183.13889	76.3
184.14233	5.9
197.15498	1.9
207.13890	1.7
209.11839	2.9
225.14870	1.6
227.12869	100.0
228.13206	7.7
251.12872	3.1
269.13913	1.9
293.13855	0.6
389.18069	1.9
389.24844	0.4
389.29224	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	389.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24236	48.1
56.32702	52.5
59.01377	100.0
61.98832	94.7
69.10897	48.5
71.49937	91.8
83.27354	48.3
89.02419	55.8
96.20219	49.0
98.75640	50.0
121.28571	50.9
146.27417	52.4
236.45395	52.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	3.5
59.01379	22.9
63.83180	1.1
69.03456	1.4
69.19749	9.0
71.01378	17.5
71.05042	1.1
72.99300	1.3
73.02944	4.8
75.00839	1.1
83.01370	1.7
85.02937	12.3
89.02446	8.5
89.02917	1.4
94.35991	1.0
95.01369	4.4
97.02982	1.0
97.06618	1.1
101.02441	10.8
111.08160	3.5
113.02448	28.0
118.98079	1.2
119.03541	1.5
125.02477	1.2
143.03484	1.8
150.09193	1.3
155.65152	1.2
156.47658	1.1
161.04536	5.4
165.12837	36.0
166.13214	2.5
167.14351	1.7
169.12343	3.3
173.57477	1.1
174.77602	1.1
177.12769	1.0
181.12167	1.1
183.13892	73.5
184.14232	4.3
195.13879	2.3
197.15486	10.0
207.13893	9.7
209.11783	9.9
225.14948	8.5
226.15266	1.7
227.12872	100.0
228.13194	7.5
237.14960	1.4
241.77980	1.0
243.96503	1.2
251.10461	1.5
251.12897	19.7
252.13165	1.6
263.12796	2.3
265.14606	1.4
269.13910	9.1
281.14035	2.6
293.13986	4.6
329.16019	2.1
345.14413	5.1
389.17383	1.4
389.25461	5.7
390.25388	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.0
57.03430	2.9
59.01379	100.0
60.57434	1.1
63.58257	1.1
66.82064	1.3
69.03457	2.0
71.01378	48.8
71.04999	3.2
71.48093	2.1
72.99296	3.7
73.02944	56.8
75.00856	1.8
83.01380	13.6
83.05021	1.3
85.02943	11.9
87.00876	3.2
87.04507	1.9
89.02444	15.9
89.62901	1.2
90.66245	1.1
95.01388	2.4
97.06566	1.7
99.00874	2.1
101.02438	49.7
101.06039	1.1
102.02775	1.4
107.31841	1.1
113.02445	17.4
114.02764	1.1
115.00372	1.9
119.03506	3.9
121.10249	3.6
123.08187	1.8
125.02451	3.0
131.03470	3.0
133.01416	4.6
135.04495	1.2
137.09645	1.9
143.03488	3.6
143.04543	1.2
149.04543	1.6
155.03517	1.4
161.04538	7.9
167.10745	22.8
169.12341	1.8
171.10184	2.1
171.13745	1.3
177.03316	2.2
179.05664	1.9
185.11789	7.1
215.12808	3.7
229.08679	2.8
303.18033	3.1
329.16119	14.7
329.23093	2.0
330.16269	1.8
347.17068	24.7
348.17282	1.5
371.24298	5.1
389.18076	68.4
389.25366	57.9
390.18506	10.0
390.25998	6.1
400.49640	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.6
58.00592	0.5
59.01383	6.2
71.01382	10.3
72.99307	1.3
73.02953	1.5
85.02962	0.9
87.00871	0.7
87.02718	0.5
87.04487	0.6
88.02736	0.4
89.02435	1.4
101.02420	1.3
115.00379	16.6
116.00728	0.5
125.09659	0.5
133.01434	19.2
135.44212	0.4
161.04517	0.5
167.10878	0.5
186.06851	0.7
186.26604	0.4
198.10265	0.4
201.09201	1.5
201.11082	0.4
213.05537	0.5
214.06357	12.1
215.06697	0.8
215.12856	0.9
227.07191	2.2
227.12875	0.8
229.08688	100.0
230.09039	9.3
240.04259	1.0
246.05305	7.5
247.05714	0.6
255.06642	6.2
259.13818	0.7
260.13998	1.8
273.07684	22.0
274.08170	1.9
283.13278	0.4
303.19080	0.4
329.23227	0.9
371.24356	0.7
389.08661	0.7
389.17871	0.8
389.25241	7.3
389.29388	1.1
390.25757	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.8
59.01378	100.0
60.01702	1.0
61.98823	0.7
62.55635	0.8
65.12097	0.8
69.38813	2.4
69.39237	3.4
71.01376	9.9
72.99337	1.2
73.02964	1.4
85.02965	1.8
89.02448	11.0
89.17875	0.7
95.01468	0.8
97.73435	0.7
99.00908	1.1
101.02436	6.0
113.02443	4.2
115.00423	0.9
119.03478	4.2
128.03578	1.0
133.01410	1.0
134.35414	0.7
135.04532	0.7
143.03522	1.3
149.06065	20.7
149.10724	0.7
150.06433	1.2
161.04576	1.5
163.59192	0.8
167.07190	1.2
179.05656	3.0
207.99884	0.9
214.59525	0.8
217.78763	0.8
248.91121	0.8
251.57704	0.8
329.12384	8.1
330.13138	0.9
395.78165	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36858	12.2
59.01371	43.3
61.98833	25.3
69.18106	100.0
71.01393	18.1
71.31635	12.1
89.02457	16.6
98.20757	20.3
126.68264	13.3
131.84953	13.6
157.19215	12.4
225.14557	12.4
236.42944	12.8
305.83182	14.3
387.25568	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	389.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.3
69.63108	0.3
69.63460	1.7
71.01389	0.9
82.64948	0.2
89.94776	0.3
99.68798	0.2
101.02451	0.4
102.04768	0.7
103.05547	2.8
105.01036	0.3
105.03447	0.3
115.05565	0.5
117.03481	0.3
123.04527	0.4
125.02419	0.3
130.04254	12.5
131.05080	1.3
131.67909	0.3
133.02960	4.4
134.03726	0.9
137.02478	0.3
143.05069	0.4
147.04543	0.3
149.06090	5.0
150.06430	0.6
155.05128	0.5
157.02966	1.2
159.04527	100.0
160.04861	6.4
163.95499	0.3
171.04514	6.3
172.04858	0.5
173.02472	1.6
177.01912	0.6
178.02757	1.6
198.03198	0.3
199.04021	7.1
203.03554	0.4
203.07121	0.4
211.03961	0.6
211.13461	1.0
233.06023	0.3
245.06042	0.5
248.10727	0.3
270.02692	0.3
273.05637	1.9
286.06332	0.6
289.05069	0.3
291.06635	18.4
292.06924	2.2
301.08636	0.9
315.06558	0.5
317.08173	0.4
327.15823	0.3
330.05368	0.5
345.07678	20.1
346.07953	2.7
365.20078	0.3
372.31110	0.3
389.06735	2.4
390.06998	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.0
57.03446	3.9
58.00583	2.6
59.01382	71.2
60.01710	0.7
60.49981	0.7
62.51820	0.7
68.99796	0.7
69.96738	2.6
71.01385	48.6
72.01718	1.3
72.99329	4.2
73.02953	9.4
75.00865	2.1
83.01380	5.4
85.02959	16.8
87.00889	3.9
89.02451	37.0
90.02766	1.0
95.01387	3.8
97.02982	1.3
99.00892	3.9
101.02448	36.2
102.02773	0.8
105.25437	0.9
111.50905	0.8
113.02456	19.3
114.02814	1.3
119.03510	17.6
121.10249	1.3
125.09810	0.8
129.01921	1.1
131.03528	1.2
135.04439	1.2
137.09715	1.8
138.91241	0.7
143.03491	1.8
149.04500	0.8
150.05643	0.7
152.07152	1.9
152.08369	1.6
153.12825	1.1
159.02954	1.8
161.04552	6.1
163.11269	0.9
179.05623	2.6
186.29036	0.9
195.13882	0.9
197.15485	1.8
207.13940	2.1
225.14980	18.4
226.15305	1.5
242.05940	0.9
270.13470	1.3
311.09091	0.8
343.11963	2.8
387.20261	100.0
388.20459	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	387.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	53.2
61.98825	34.7
66.77339	16.7
69.17726	82.3
69.18163	100.0
71.01395	25.1
78.47640	19.7
83.92815	23.5
90.17158	16.8
108.61864	17.9
128.32454	17.8
147.71211	17.5
150.69295	16.5
167.99113	19.3
273.62082	21.4
370.77908	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	387.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59937	0.4
55.01882	3.1
57.03460	4.8
58.00598	2.9
59.01383	73.3
60.01725	1.2
61.28587	0.4
69.03433	0.6
69.25578	3.9
71.01385	54.3
71.05016	1.1
72.01734	1.1
72.99312	2.8
73.02949	8.6
74.03289	0.4
81.03477	0.5
82.62596	0.4
83.01394	5.2
84.02213	0.5
84.33578	0.4
85.02956	18.8
85.03474	0.9
86.03304	0.6
87.00874	2.7
89.02449	39.4
95.01380	4.7
97.02956	1.0
98.20712	0.9
99.00880	3.5
101.02448	39.2
102.02800	0.8
103.87597	0.4
108.10262	0.4
111.00870	0.6
113.02457	20.5
119.03508	18.2
119.04346	0.9
125.02485	0.7
129.01962	0.6
131.03502	1.0
135.04564	0.5
137.09714	1.8
138.06885	6.5
143.03549	3.7
149.04593	0.7
151.07542	0.7
151.11337	0.5
152.08418	1.3
153.09219	17.6
153.12811	0.9
154.09546	1.0
159.02995	2.2
161.04556	9.5
163.11316	0.9
166.06421	0.5
179.05556	2.5
181.12384	0.9
195.13904	1.1
197.15462	1.7
207.13881	3.5
225.14961	42.1
226.15312	3.7
249.40334	0.4
331.12241	0.4
387.20248	100.0
388.20578	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	387.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.9
57.03451	3.6
57.15784	0.4
58.00593	4.1
59.01378	100.0
60.01703	1.0
69.03447	2.3
71.01380	82.8
72.01721	1.4
72.99310	4.8
73.02943	7.8
74.02480	0.6
74.03305	0.6
75.00872	0.9
81.03460	0.5
83.01383	4.9
84.02142	0.6
85.02948	21.3
86.03323	0.5
87.00895	3.1
89.02443	79.4
90.02788	1.5
90.67724	0.4
95.01389	5.1
97.02959	1.5
99.00878	4.5
101.02441	47.9
102.02766	1.0
105.67310	0.4
111.00846	0.5
113.02447	35.8
114.02760	0.8
115.00272	0.4
119.03497	30.7
120.20887	0.4
122.06081	0.8
125.02428	1.0
129.01900	0.4
131.03494	3.0
132.04504	0.5
135.04532	0.4
137.02457	0.4
137.09692	1.3
143.03505	4.6
149.04556	2.9
150.05634	0.9
152.07146	1.1
153.01947	0.7
153.09151	0.6
159.02963	2.2
159.04149	0.5
160.03964	0.9
161.04550	17.2
161.05896	0.9
162.04889	0.7
165.09183	0.9
173.09659	3.2
179.05624	5.3
183.10237	0.4
185.00867	0.7
189.12843	28.7
190.13094	2.0
194.05962	0.4
203.48781	0.4
205.03471	0.5
207.13887	8.1
208.14160	1.1
225.14969	2.3
311.05670	0.4
315.13257	0.6
325.11600	1.2
333.48456	0.4
369.04410	0.5
387.05536	0.5
387.11636	0.5
387.20303	6.9
388.20453	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	Unknow
Peak:m/z	Relative Intensity
55.01876	1.0
56.92102	0.4
57.03449	0.9
59.01381	100.0
60.01717	1.1
61.98845	0.6
69.03451	0.5
69.43285	3.6
71.01382	15.3
72.99299	0.7
73.02946	6.1
83.01381	3.1
85.02956	7.8
87.00874	1.0
88.94771	0.5
89.02438	3.9
95.01400	1.6
97.02982	0.5
97.06591	0.6
99.00901	2.4
101.02446	13.7
109.06590	0.6
113.02453	5.4
119.03532	0.9
125.02470	0.9
131.03543	0.5
133.80812	0.4
135.04555	0.5
143.03505	1.1
159.02968	1.3
161.04549	6.5
163.11230	0.7
165.12848	5.0
229.14346	0.6
280.96677	0.5
327.17978	3.4
343.25189	0.6
345.19159	21.3
346.19586	1.6
387.15210	0.7
387.19800	1.2
387.24149	3.1
388.24258	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86784	0.4
55.01869	2.8
57.03445	3.1
58.00589	2.4
59.01375	70.3
60.01714	0.6
69.03465	0.6
69.49731	2.7
71.01376	47.8
72.01711	1.1
72.99312	2.7
73.02940	7.7
75.00880	0.6
83.01382	5.0
83.11811	0.4
85.02547	0.3
85.02942	15.7
87.00874	2.9
89.02437	35.9
90.02776	0.7
95.01373	3.9
96.18332	0.3
96.29608	0.4
97.02949	0.6
99.00882	3.2
101.02433	33.9
102.02776	0.9
113.02439	18.5
114.02799	0.7
119.03492	17.1
123.08173	0.5
125.02443	0.8
125.06106	0.5
129.01941	0.6
130.64183	0.4
131.03502	1.4
137.09720	1.5
143.03455	1.8
149.04565	1.2
151.07657	0.4
152.08437	1.4
153.12903	0.8
159.02980	1.2
161.04544	5.8
163.11276	0.6
179.05568	2.9
181.12332	0.6
189.12798	0.4
195.13875	1.8
197.15469	1.8
199.99495	0.4
207.13945	2.0
225.14925	19.4
226.15305	1.3
387.20200	100.0
388.15714	0.8
388.20569	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	387.1665
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
55.01878	1.7
57.03439	2.2
58.40738	1.0
59.01383	100.0
60.01706	1.7
61.01806	1.1
63.31782	1.0
66.87067	1.0
69.03420	1.7
70.98540	1.8
70.98854	1.2
71.01385	45.0
72.99310	2.1
73.02951	58.5
74.03297	1.7
83.01391	16.7
85.02955	10.1
87.00877	2.9
89.02448	14.3
95.01382	3.1
97.02959	2.0
99.00904	2.6
101.02448	48.3
102.02791	1.2
108.02133	1.4
109.02940	1.4
113.02458	13.5
119.03542	6.1
121.10235	13.9
124.01657	1.8
125.02453	1.9
131.03487	2.3
137.02461	1.4
137.09785	1.1
139.04019	3.9
140.69000	1.1
143.03526	2.6
147.02994	1.0
149.04558	1.5
151.03998	2.3
153.09157	1.2
155.03465	1.9
159.04449	1.1
161.04562	8.3
163.11290	1.3
165.09215	17.0
166.09489	1.7
167.03459	5.7
177.05663	2.1
178.76511	1.1
179.05589	1.5
181.05055	1.2
183.10266	7.4
187.04036	1.1
193.01491	2.4
221.80080	1.0
225.04056	5.7
225.14772	2.2
241.05112	0.9
242.05907	3.3
257.08240	3.4
285.63150	1.3
299.12460	1.2
311.09140	2.2
327.14496	7.4
343.11832	1.3
345.11578	1.8
345.15457	12.0
375.38861	1.2
387.09714	7.0
387.16525	37.2
387.20450	2.5
388.17062	3.9
392.33575	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1662
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
54.05230	0.8
56.79657	0.8
57.03442	1.9
59.01117	1.0
59.01384	15.6
61.50271	0.9
69.03431	1.4
69.19323	9.1
71.01383	9.8
73.02947	17.6
73.03732	1.0
83.01361	1.4
85.02948	3.7
87.04524	1.0
89.02449	5.9
91.41044	0.8
95.01412	0.9
95.05038	2.3
95.70326	1.0
97.02931	1.1
98.20617	1.5
101.02438	4.1
109.06600	1.5
111.08184	1.5
113.02460	6.1
119.03500	0.9
120.22343	1.0
125.02440	2.6
125.09702	1.6
133.02904	1.1
134.07541	0.9
135.04539	2.3
155.01183	0.9
155.10748	1.2
163.11316	8.9
167.10765	1.7
179.03491	1.2
179.05713	0.9
181.12347	65.6
182.12645	4.3
207.10255	2.3
225.05563	5.0
225.11325	100.0
225.14886	2.5
226.11655	6.9
236.56342	0.9
240.77173	1.1
245.32762	1.1
249.11238	3.7
250.11694	1.1
259.13916	0.9
267.12302	2.5
315.73306	0.8
369.22723	1.2
387.16168	1.5
387.23984	19.6
388.24042	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03388	3.3
57.03659	1.1
59.01324	7.2
69.03431	1.1
69.51661	2.2
69.52088	1.7
71.01379	3.4
73.02893	2.0
76.51174	0.6
77.55000	0.5
81.03455	3.0
81.77053	0.6
83.01389	4.2
83.04996	0.6
85.02905	1.5
87.02744	3.2
89.02390	0.9
93.03412	1.5
95.01312	1.6
95.05006	4.3
97.02946	8.5
99.04445	0.6
99.21487	0.6
101.02386	2.4
108.02125	1.3
109.02949	31.6
110.03220	1.1
111.08128	0.7
113.02371	1.4
114.01466	0.7
121.02943	4.9
122.03688	1.5
122.06062	2.1
123.00837	0.6
123.04510	20.0
125.02445	18.8
133.02902	1.0
135.04488	3.3
135.08133	1.4
137.02448	9.9
137.09685	0.7
138.03036	0.8
139.04012	4.5
143.04968	0.7
145.02901	1.4
146.03654	1.7
149.02425	6.3
150.03136	1.7
151.02922	0.9
151.04004	11.7
152.04327	0.8
152.07101	2.4
159.04512	4.9
160.05209	2.3
161.02438	2.9
161.04694	0.7
161.06067	7.6
162.03221	3.0
163.03915	2.0
164.01184	3.4
165.01913	4.7
166.02458	0.9
167.03410	2.4
171.10172	0.7
173.06024	1.6
175.04041	3.4
175.07587	1.9
177.01862	0.6
177.05519	1.9
179.03481	8.7
179.07100	2.0
180.03748	0.6
181.12289	1.9
183.10146	0.7
186.06551	0.6
187.03978	5.3
188.04773	5.0
189.05339	0.8
190.05048	1.1
191.07104	1.1
193.08687	0.6
197.10020	2.0
199.07562	1.0
201.05583	1.1
202.06369	2.8
203.03337	0.8
203.07129	19.0
204.07408	1.3
205.05034	14.9
211.03856	1.1
212.04739	1.2
217.08583	0.7
219.06538	1.0
220.06039	0.9
221.08200	4.4
222.07640	1.0
225.11308	5.1
225.14867	1.5
227.07140	5.6
228.07381	0.8
229.05013	0.8
230.05821	1.1
231.02969	0.7
233.08156	0.9
245.08170	23.7
246.08453	1.7
247.06075	2.3
257.11856	0.8
259.13727	7.0
264.79727	0.6
269.04483	0.9
271.06091	4.5
280.03580	0.6
281.11765	0.6
283.06165	0.9
289.07166	100.0
290.07520	9.2
299.12903	2.4
301.14691	0.7
341.11020	0.6
343.11874	14.9
343.15668	1.0
344.12369	2.0
369.13596	1.0
373.24203	0.6
387.14597	43.7
387.23883	10.2
388.14554	5.8
388.23914	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	387.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03395	3.0
59.01373	4.8
59.66916	0.7
69.03410	1.0
69.19946	6.4
71.01337	2.4
73.02900	1.3
81.03449	4.3
83.01385	3.9
85.02931	1.2
87.02263	0.8
87.02727	7.9
89.02419	1.7
91.46587	0.7
93.03405	1.5
95.01367	1.4
95.04956	3.3
97.02966	7.2
99.04528	0.8
101.02403	1.7
108.02177	0.8
109.02946	31.1
113.02430	1.0
114.01394	3.0
119.03483	0.8
121.02905	4.3
122.03706	1.4
123.04517	20.6
124.04783	0.9
125.01527	1.0
125.02437	17.6
127.07600	1.2
135.04466	3.1
135.08070	1.1
137.02432	11.0
139.03989	4.9
142.79103	0.8
145.02890	1.4
146.03644	2.1
147.04472	1.0
148.62871	0.7
149.01398	0.9
149.02428	7.0
150.03218	1.7
151.02910	1.0
151.04004	12.7
153.09187	1.1
159.04475	4.4
160.05240	1.2
161.02385	1.8
161.06076	7.1
162.03221	2.5
163.03957	2.4
164.01067	3.3
165.01938	4.2
167.03476	1.5
173.06036	1.0
174.03123	1.5
175.03934	3.0
175.07611	2.8
177.05487	1.3
179.03499	7.7
179.07051	3.0
185.05998	0.9
187.03973	6.4
188.04782	5.8
191.07040	1.2
193.08768	1.0
197.09987	7.0
199.07626	1.5
202.06268	2.8
203.07101	20.3
204.07425	1.6
205.05057	13.8
217.08778	1.2
221.08098	4.1
225.15031	1.0
227.07077	3.5
231.02957	1.2
241.12749	1.9
245.08162	24.5
246.08392	2.1
247.06114	2.5
249.80605	0.8
259.13696	21.1
271.06061	1.4
289.07162	100.0
290.07468	8.1
299.12872	3.3
302.57813	0.9
343.11816	14.5
343.15576	1.1
344.12115	1.9
345.23053	1.0
387.14532	41.1
387.23901	2.8
387.28030	1.3
388.14914	4.0
388.24445	1.1
395.03433	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01411	1.3
61.98834	100.0
69.03465	1.2
70.99640	2.3
124.75582	1.0
130.08722	3.5
192.20657	0.9
213.85242	1.0
236.28230	0.9
279.09641	1.0
322.20163	2.3
389.52362	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1297
Annotation	10-Acetylaucubin
Peak:m/z	Relative Intensity
51.68715	1.0
55.01879	1.4
57.03432	1.4
58.00584	2.4
59.01376	45.5
60.01698	1.2
61.28778	0.9
61.98849	2.3
68.20704	1.0
69.03441	9.1
69.63215	0.9
71.01380	28.2
71.43290	0.9
71.49479	1.4
72.99303	2.3
73.02937	5.9
74.34130	0.9
83.01370	5.2
83.05017	1.1
85.02956	12.8
87.00886	2.9
88.04029	1.4
89.02440	17.1
93.03439	1.2
95.01391	3.4
96.95995	1.5
97.02941	1.8
99.00903	5.5
101.02438	20.8
113.02448	11.7
115.00372	1.1
119.03491	8.1
121.02955	3.7
122.03716	2.0
123.04488	4.2
131.03583	1.1
133.01430	1.5
135.04524	5.9
137.02402	1.4
139.03975	3.5
147.04341	1.0
148.05301	1.2
149.02429	1.9
161.04507	1.3
163.11299	1.5
163.62508	0.9
165.05531	2.3
165.09183	1.9
166.06352	12.3
167.01782	1.0
167.03488	3.3
167.07039	1.6
177.00557	1.2
177.01935	13.8
179.03560	1.2
181.08678	11.1
185.00926	4.0
192.04276	16.0
193.04688	1.7
207.06618	35.6
208.06966	3.2
213.54620	1.1
223.06094	1.6
225.07748	7.6
225.14961	1.9
228.01495	1.1
239.05585	2.0
243.15984	1.6
372.10468	6.3
387.12918	100.0
388.13113	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03392	3.0
57.03660	1.1
59.01314	7.2
67.01859	0.8
69.03400	1.8
69.47549	4.7
71.01317	3.2
73.02883	1.8
74.33776	0.6
79.30785	0.5
79.36313	0.6
80.45290	0.6
81.03394	2.8
83.01385	4.6
83.04983	0.6
85.02918	1.1
87.02672	1.7
89.02409	1.1
92.60603	0.7
93.03384	2.2
95.01302	1.2
95.05046	3.0
97.02958	9.2
98.03164	0.7
98.20632	1.4
99.04481	0.8
101.02354	2.6
108.02125	1.2
109.02954	31.9
110.03274	1.0
113.02409	0.8
114.01418	1.1
121.02957	6.2
122.03659	2.0
122.06044	2.2
123.00868	0.8
123.04530	19.7
124.04794	1.1
125.02454	17.3
131.03650	0.7
132.04401	0.6
133.02914	1.0
135.04446	2.1
135.08122	1.2
137.02444	10.8
137.06018	0.9
138.02815	0.8
139.04013	5.5
145.02881	1.3
146.03627	2.2
147.04416	0.8
149.01477	0.7
149.02448	6.7
150.03111	0.8
151.04013	9.4
152.07114	2.0
153.09212	1.1
159.04524	3.8
160.05203	2.8
161.02406	1.5
161.06081	7.9
162.03140	2.9
163.03900	1.9
163.11205	0.8
164.01122	3.5
165.01917	4.8
165.47708	0.7
166.02623	1.2
167.03435	2.0
173.06035	1.3
175.04004	3.8
175.07587	2.3
177.05557	1.3
179.02095	0.9
179.03497	8.4
179.07018	2.5
180.07436	0.7
181.12260	1.9
185.06061	1.6
187.04013	6.4
188.04793	5.8
190.05017	1.6
191.07040	2.0
197.09926	1.2
199.07668	1.4
201.05554	1.3
202.06277	2.9
203.03474	1.4
203.07147	16.4
204.07422	1.6
205.03314	1.0
205.05074	14.0
206.05402	0.9
209.06096	0.7
211.04111	1.4
212.04723	1.5
217.08693	1.0
218.05794	0.9
219.06483	0.9
221.08224	4.3
222.07817	1.4
225.11383	3.8
225.14882	0.7
227.07079	5.6
228.07281	0.9
230.05927	1.4
231.02850	1.0
245.08177	23.4
246.08469	1.7
247.06047	1.9
259.13712	5.8
271.06067	4.7
283.10977	0.7
289.07181	100.0
290.07486	10.5
299.12851	3.6
307.19510	0.8
327.21927	1.1
343.11896	17.3
343.15936	1.5
344.12167	2.5
369.13562	1.2
387.14639	42.5
387.23938	7.5
388.14639	6.8
388.24088	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23099	1.0
55.35084	1.1
57.03427	1.3
59.01375	100.0
60.01700	2.0
61.98818	4.6
68.99809	1.6
69.03467	5.3
69.35054	2.8
69.35462	6.1
71.01377	15.8
72.99303	2.8
73.02941	5.3
75.00859	9.8
78.93427	1.0
81.03423	1.3
83.01379	2.2
85.02947	11.4
87.00877	4.2
89.02434	4.7
91.05527	3.6
95.01353	2.4
99.00872	6.8
101.02454	4.2
109.02988	1.2
113.02451	16.0
115.00365	2.9
117.01921	2.7
133.01401	1.8
135.04514	55.5
136.04828	3.6
137.09706	3.8
155.10745	2.0
165.01686	1.3
174.01639	2.2
175.02399	2.0
179.03534	2.4
179.10791	2.3
180.06615	3.1
181.06985	3.4
181.08501	1.6
185.00920	1.3
194.60097	1.2
196.49716	1.0
203.58401	1.1
231.05022	3.3
249.06116	30.4
250.06299	1.6
309.03949	1.9
353.03030	1.7
366.04187	1.3
385.11307	26.4
385.18530	1.6
386.11401	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.2
59.01377	100.0
60.01710	1.2
65.23283	0.5
69.03453	38.1
69.19563	0.5
69.37166	2.0
69.37589	2.6
70.03777	1.1
71.01395	2.5
72.99315	1.5
73.02953	1.3
79.01920	1.9
85.02951	1.4
95.01385	1.4
97.02955	6.8
99.00877	11.0
101.02462	1.1
113.02439	0.7
140.18939	0.6
141.01958	4.2
155.10771	2.6
164.33156	0.6
174.01704	1.4
185.00900	24.9
186.01324	0.8
199.09773	1.2
245.85840	0.6
249.57596	0.6
251.20486	0.7
385.11206	3.3
385.18658	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1143
Annotation	1-O-Sinapoyl-beta-D-glucose
Peak:m/z	Relative Intensity
52.38873	7.3
52.65612	8.4
59.01385	100.0
69.03439	26.8
69.66653	48.3
71.01379	79.8
73.02940	39.2
83.01401	9.0
85.02959	40.7
87.00889	12.3
89.02438	35.1
95.01402	18.5
97.02921	17.0
97.49144	9.1
98.20580	12.0
101.02445	36.2
113.02431	36.5
115.00294	9.9
119.03509	11.8
119.05025	28.7
129.10367	9.6
129.33354	9.2
135.04550	41.0
136.05331	11.2
147.71169	8.1
149.02448	43.5
150.06850	9.8
151.07509	9.7
155.10747	14.5
161.04578	11.0
164.04785	29.6
174.01686	14.8
179.03546	17.7
179.05682	8.7
179.07111	21.1
180.07890	15.5
181.08659	31.0
185.00853	15.7
190.02699	8.4
191.05423	8.7
193.01419	19.9
195.27756	7.8
199.09627	9.6
204.35526	7.5
205.05110	10.2
208.03807	39.8
209.04132	10.1
213.95866	7.3
223.06134	100.0
281.10226	16.1
299.11423	8.9
341.06714	12.1
385.11188	30.6
385.18738	27.1
385.24222	12.4
388.06650	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	385.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13053	0.6
55.01873	4.3
55.81625	0.6
59.01378	49.7
59.89468	0.9
67.01887	1.1
69.03456	100.0
69.43388	4.4
70.03792	2.9
71.01372	2.0
72.99316	2.7
73.02947	0.8
76.02471	0.6
76.87845	0.7
79.01878	7.0
85.02931	2.0
90.82707	0.7
95.01392	2.6
97.02948	17.7
97.03572	0.9
98.03296	0.9
98.19914	1.7
99.00878	26.9
99.01550	1.3
113.02466	1.0
123.00861	0.8
137.09785	0.9
141.01938	12.9
155.10793	6.0
165.40111	0.8
185.00908	64.9
186.01292	2.2
199.09770	2.9
200.62650	0.8
288.63913	0.7
312.15128	0.7
378.26199	0.7
385.11380	5.9
386.11951	1.2
408.41910	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02696	2.3
57.03443	7.6
59.01377	16.9
69.03453	30.6
71.01382	13.7
71.05029	2.4
71.50670	3.0
71.51051	3.2
72.99305	18.0
73.02934	7.0
75.00865	3.5
75.77396	3.0
81.03459	3.3
83.01385	5.8
83.05036	3.7
85.02917	3.9
87.00867	4.0
94.52008	2.6
97.02938	3.0
99.00871	21.5
101.02435	3.2
109.02912	4.3
111.00866	7.6
112.98814	25.0
115.00336	7.8
123.04547	4.3
135.04530	3.0
137.02377	3.4
142.99870	34.5
149.02510	2.8
155.10875	3.3
156.00624	4.4
159.04552	3.4
173.00931	14.4
174.01683	100.0
174.03204	4.9
175.02448	5.0
176.52536	2.6
179.03459	3.2
181.06953	7.3
185.00937	16.6
187.11279	2.8
195.13911	3.2
199.07938	3.7
205.12276	7.5
207.13867	4.2
211.13370	34.0
223.13376	34.6
224.13799	2.9
225.14941	4.3
235.13443	2.8
237.14848	4.0
251.12746	3.4
257.12149	4.9
263.12909	7.8
267.12338	19.4
307.11835	10.5
341.22867	3.2
359.22684	2.6
367.13931	24.2
370.99377	2.5
385.13348	6.1
385.22202	21.2
386.22604	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	385.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67330	0.7
55.01866	2.3
56.07975	0.6
57.03445	12.8
57.36931	0.7
58.30504	0.7
59.01374	9.0
62.28550	0.7
70.55602	1.6
70.65661	0.6
71.01369	4.8
72.99300	1.5
75.00870	1.2
83.01381	2.8
84.02161	2.9
85.02945	100.0
86.03271	3.3
87.00861	1.1
89.02451	1.1
101.02495	0.7
101.96980	0.7
103.00352	1.7
110.33040	0.7
111.00871	2.3
115.00364	1.9
121.02960	1.1
129.01944	7.6
133.01398	1.8
134.03717	5.2
135.04477	1.6
137.06065	2.8
145.02795	0.8
147.03008	9.4
149.02449	1.5
151.37944	0.7
163.04018	1.3
174.01669	2.9
181.05066	2.2
191.01958	26.3
191.05583	1.7
192.02339	1.0
193.05049	2.9
205.03473	2.0
208.53659	0.8
209.03003	19.0
212.31613	0.7
223.04462	9.3
252.92468	0.7
349.53424	0.7
385.07184	0.8
385.11539	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	385.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.4
55.33264	0.8
59.01374	4.8
60.32310	0.8
69.03455	100.0
70.03777	2.6
71.01382	1.9
72.99293	2.2
76.53844	0.8
78.88476	0.8
79.01884	8.9
85.02950	1.1
95.01373	3.6
96.45480	0.8
97.02950	17.7
99.00877	28.8
119.68324	0.8
123.00886	1.8
141.01936	14.1
155.10724	5.3
179.10735	1.3
185.00903	70.3
186.01215	3.6
199.09738	3.2
203.04828	0.9
225.23874	0.8
227.28960	0.8
273.72778	0.8
377.34140	0.8
385.11398	7.2
394.97397	0.8
398.85730	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.6
67.01900	1.0
69.03455	100.0
69.31289	0.8
69.31464	1.2
69.31852	5.6
69.32059	1.1
70.03780	2.4
71.01359	1.3
72.99304	1.5
77.94915	0.7
79.01891	8.3
85.02937	1.4
95.01381	3.2
97.02355	1.2
97.02945	18.0
98.03242	0.8
99.00877	23.7
100.01242	1.0
103.30683	0.9
123.00882	1.6
141.01947	14.3
145.75044	0.8
155.10803	5.1
185.00906	79.9
186.01181	4.4
199.09727	2.2
385.11395	9.2
386.11563	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	385.114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22983	1.3
55.01867	1.9
59.01378	4.5
67.01907	2.9
69.03456	45.5
71.01376	12.5
72.99316	2.1
73.02948	2.9
75.00872	3.4
79.01893	18.6
85.02940	6.3
87.00864	1.6
91.05524	2.4
95.01401	8.4
97.02950	57.4
98.03306	1.9
98.19898	4.1
99.00874	10.9
106.78668	1.5
109.12791	1.5
113.02469	7.9
121.02940	11.2
123.00896	4.0
135.04561	4.1
135.08157	1.7
137.09718	7.2
141.01936	73.6
142.02307	1.5
149.31853	1.3
155.10782	100.0
155.47572	1.5
156.11092	4.9
185.00909	35.4
199.08009	2.6
199.09752	36.8
203.01942	9.4
246.48247	1.5
249.06158	5.6
263.07846	3.0
264.10297	1.6
267.07178	11.5
368.78598	1.5
385.11316	23.4
386.11670	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.7
59.01377	5.9
67.01879	0.9
69.03453	100.0
70.03779	2.8
71.01381	3.3
71.50449	0.7
72.21262	0.6
72.99301	2.3
73.02940	1.4
79.01885	6.7
85.02945	2.8
89.02437	1.4
95.01381	3.5
97.02948	20.9
99.00875	26.1
100.01227	1.0
101.02440	1.4
119.03486	0.8
119.72529	0.8
123.00912	2.0
141.01924	11.4
153.09190	2.4
185.00903	65.5
186.01251	2.4
197.08234	1.1
212.92987	0.7
273.24915	0.6
383.09775	11.5
383.13751	6.0
384.10046	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	383.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	13.4
67.04832	0.6
68.42501	0.6
71.01056	1.1
71.01399	1.4
77.89954	0.6
85.02950	0.8
89.95332	0.6
91.05511	1.2
97.02941	1.0
99.00860	0.8
101.02449	0.8
103.05531	1.3
105.03472	1.0
107.05028	1.5
113.02463	1.0
123.04510	3.6
130.04234	7.3
131.05009	0.9
133.02951	11.9
134.03735	1.3
135.04527	53.2
136.04837	1.9
141.01979	0.7
145.31569	0.5
149.06082	5.3
153.09212	1.1
159.04510	100.0
160.04836	4.9
161.02434	38.3
162.02837	2.1
175.04131	0.8
177.01819	0.6
179.03528	4.6
185.00870	0.6
203.03491	31.3
204.03831	1.9
221.04547	34.8
222.04919	2.5
295.09750	1.6
306.92398	0.6
321.07697	1.7
383.09854	7.7
383.19171	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	383.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55907	0.6
57.03428	0.7
59.01377	17.8
61.98822	1.1
70.53402	0.5
70.78283	1.3
71.01376	8.4
72.99296	1.0
73.02938	1.6
82.04103	1.0
83.01398	0.6
85.02927	3.7
87.00859	1.1
89.02451	5.0
91.05534	1.6
93.50407	0.6
101.02414	4.8
113.02425	3.6
115.00282	0.8
119.03500	2.2
123.04440	0.7
130.04152	0.9
131.05019	2.4
133.02953	2.9
133.09599	0.6
135.04533	8.5
137.06116	2.9
147.04503	13.3
148.04857	0.7
152.86481	0.6
159.04460	0.7
161.02419	5.1
161.04532	2.6
175.03986	100.0
176.04346	6.3
177.01920	2.7
178.02289	1.7
179.02275	0.9
179.05612	0.8
196.01532	0.7
201.01906	0.8
203.03487	83.2
204.03821	5.6
219.02943	0.8
221.04692	2.5
221.10292	0.8
323.17041	4.5
341.10815	1.1
383.09671	2.6
383.15396	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.4
65.02185	0.4
67.43364	0.4
69.03448	0.7
70.65617	1.3
71.01365	2.3
73.02953	0.6
77.03970	2.2
83.01373	0.6
85.02940	1.4
89.02456	1.1
89.03975	1.1
90.48200	0.5
91.05526	0.6
93.03458	1.7
95.05031	4.4
101.02438	1.4
103.05543	0.8
105.03461	14.5
105.07089	5.5
106.04288	0.8
111.00860	0.7
113.02460	0.8
119.03458	0.5
119.05020	3.3
121.02980	2.8
123.04514	1.4
129.03018	0.5
133.02956	99.6
133.06587	1.4
134.03784	19.2
135.04547	6.5
137.02437	12.5
139.03999	5.4
146.03731	1.5
147.04482	1.0
149.02449	0.8
149.06126	0.8
150.03214	1.5
151.04013	1.1
151.07645	7.4
159.04503	4.1
161.02448	16.2
161.06075	83.1
162.02861	0.9
162.06409	5.6
163.04041	0.9
174.03288	1.2
175.03944	1.3
176.04787	11.6
177.01924	82.0
177.05215	1.7
178.02695	38.5
179.03262	3.4
187.03993	12.2
188.04359	1.1
201.01935	1.4
202.02711	3.8
203.03238	0.9
205.05046	100.0
206.05383	7.1
209.22205	0.4
220.03752	17.8
221.04210	1.1
251.10849	0.7
267.10425	0.4
295.09790	0.7
310.04819	0.8
321.07513	0.7
323.09918	0.7
339.08746	4.3
340.08997	0.6
341.11020	1.3
365.06119	0.8
383.07632	15.2
383.20563	0.6
384.08105	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	382.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	4.9
61.98830	100.0
63.70779	0.9
68.20713	0.8
69.17970	8.6
71.01374	2.0
73.02962	1.1
84.99757	0.8
85.02936	1.3
87.96085	0.9
91.05539	1.1
101.02438	1.0
129.10330	2.3
133.02960	9.1
134.03654	1.1
147.04533	1.6
161.02473	1.5
161.06071	8.3
164.07158	3.9
171.11385	2.1
177.01889	7.7
178.02715	2.7
187.03975	1.6
197.26060	1.0
205.05092	8.9
207.84349	0.9
217.18033	1.0
233.16594	1.3
310.16745	2.2
319.16650	9.9
339.08502	2.2
341.10898	1.1
383.07401	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	382.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01723	2.2
61.98837	2.9
65.56772	1.4
65.65805	1.5
70.72800	2.6
71.01374	2.9
78.36610	1.4
88.11195	1.4
117.81062	1.4
179.05502	2.0
183.01144	2.3
297.15182	2.0
325.18387	3.3
341.10684	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	381.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.5
59.96716	2.3
61.98816	5.8
71.50073	1.8
74.99067	27.2
75.96217	1.8
75.99023	1.6
85.28889	1.4
91.02207	45.8
93.00117	11.1
103.70459	1.3
143.05304	1.4
152.99626	2.3
159.08463	100.0
160.08589	5.8
161.06395	9.5
266.97144	1.6
317.50986	1.7
367.88394	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	381.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10881	0.6
59.01384	100.0
60.01715	1.2
68.91286	0.5
71.01385	0.9
89.02406	0.6
98.20679	1.8
110.44260	0.6
118.33248	0.6
121.34686	0.7
188.86229	0.6
219.10455	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92221	0.2
59.01371	0.5
70.65343	0.4
70.65701	0.3
71.62003	0.2
76.49114	0.2
81.03465	0.4
86.18557	0.2
89.03963	1.8
90.23479	0.2
104.02677	0.4
105.03452	3.7
106.03793	0.2
107.01424	0.2
109.02987	0.2
121.03025	0.2
133.02951	8.1
134.03304	0.3
148.01665	0.6
149.02429	0.7
175.04007	1.1
176.01134	1.5
177.01917	100.0
178.02249	6.3
197.84181	0.2
282.94412	0.2
381.08218	6.5
382.08578	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36850	0.2
51.93390	0.2
52.96077	0.2
54.16285	0.2
59.01381	3.8
69.16556	1.7
71.01370	0.3
72.16634	0.2
81.03453	0.7
81.77216	0.2
82.98677	0.2
87.19192	0.2
89.03971	2.0
104.02706	0.9
105.03458	3.3
107.01427	0.2
109.03002	0.2
121.02920	0.2
133.02962	9.0
133.85922	0.2
134.03310	0.5
148.01657	0.6
149.02478	1.1
161.80049	0.2
175.04039	0.9
175.49059	0.2
176.01173	1.6
176.03474	0.3
177.01924	100.0
178.02252	6.1
219.02917	0.3
228.61812	0.2
295.86737	0.2
321.06006	0.4
381.08255	8.1
381.17172	0.4
382.08591	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	381.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89431	0.1
51.02374	0.2
59.01369	0.5
63.14647	0.1
65.00317	0.1
67.01876	1.6
70.04658	0.5
71.01364	0.3
79.01900	0.1
89.03966	0.4
91.01896	0.1
91.05531	0.1
96.07374	0.1
96.96014	0.1
102.04737	0.4
103.05576	0.6
107.01380	0.3
113.02474	0.2
113.42358	0.1
119.05041	0.9
130.04222	0.6
131.05029	3.9
132.02158	0.2
132.05348	0.2
133.02953	8.9
134.03294	0.3
143.04990	0.2
145.02928	0.5
147.04512	5.2
148.04893	0.2
160.01622	0.5
161.02449	0.1
173.02487	0.8
174.03226	0.4
175.03990	100.0
176.04324	6.1
176.06596	0.1
177.01949	0.2
179.03391	0.1
188.01138	0.5
189.05583	0.4
198.03165	0.2
199.04001	2.8
201.01909	2.1
202.02371	0.1
217.05058	0.3
219.02950	1.8
237.18698	0.2
243.03006	1.0
337.09253	3.0
338.09674	0.3
381.08350	0.7
382.09003	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1345
Annotation	Gancaonol A
Peak:m/z	Relative Intensity
54.76292	0.3
56.60871	0.2
59.01385	0.6
61.98826	0.9
91.31275	0.2
98.20762	0.5
101.77689	0.2
104.77139	0.2
121.02953	0.3
132.02238	0.3
136.01700	0.3
139.45161	0.3
146.96663	0.4
160.01591	0.2
163.11316	0.4
177.05582	0.7
188.01152	1.1
189.01987	0.3
196.71385	0.3
200.01176	0.9
201.01874	0.7
223.07596	0.3
224.08388	0.3
237.05637	0.4
242.32112	0.3
251.07144	0.7
252.04242	0.3
252.07861	0.6
253.05055	0.6
264.07904	0.4
267.06625	0.7
268.07385	1.0
269.08038	0.3
280.07330	0.3
281.04523	1.1
281.08160	0.7
282.05286	0.4
282.08893	0.8
284.07001	0.3
292.03790	1.2
293.04480	1.3
294.05222	0.4
295.06235	0.8
296.06839	1.4
297.07578	2.4
298.08380	1.8
299.09433	0.3
306.05307	0.6
307.06165	4.5
308.06689	0.5
309.07733	0.5
319.06177	0.6
320.06821	0.4
325.07135	5.8
326.07886	4.1
327.08096	0.3
336.10013	1.5
337.07169	6.4
337.10538	0.4
338.07581	0.6
347.09024	0.3
349.10516	0.4
350.11569	1.2
351.08621	0.4
351.12573	1.4
358.06958	8.2
359.07251	0.8
363.12408	1.1
365.10254	0.8
366.10498	0.6
377.43396	0.3
381.13434	100.0
382.13785	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	380.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64646	2.3
59.01382	100.0
61.98826	2.7
65.27569	1.9
71.05038	2.4
71.05373	3.4
96.89823	1.9
96.96004	2.0
114.80372	2.2
120.18835	2.1
133.01448	3.7
172.17738	2.0
210.03421	2.6
214.16862	2.1
249.00337	2.0
298.24567	2.5
388.08804	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	381.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.3
52.09548	0.1
67.01876	1.8
69.17750	1.0
69.18151	0.3
89.03964	0.5
93.41273	0.1
98.19847	0.3
102.04738	0.4
103.05542	0.7
103.67574	0.1
105.24583	0.1
107.01396	0.3
117.03438	0.4
119.05041	1.1
130.04221	0.5
131.05025	3.8
132.02161	0.2
132.05403	0.2
133.02954	9.0
134.03314	0.5
143.04974	0.2
145.02953	0.5
146.03705	0.2
147.04509	5.7
148.04857	0.4
155.05045	0.2
160.01645	0.6
173.02487	1.0
174.03212	0.6
175.03995	100.0
176.04332	6.5
176.42802	0.1
188.01109	0.4
189.05551	0.5
199.04005	2.9
200.04367	0.2
201.01938	1.9
217.05058	0.5
219.02950	2.2
228.53789	0.2
243.02968	1.0
323.96619	0.1
337.09250	2.6
338.09546	0.3
381.08139	0.7
398.58023	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	381.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.2
59.01371	0.4
67.01872	1.4
69.26304	1.4
71.01382	0.2
89.03967	0.4
102.04745	0.3
103.05540	0.6
104.86047	0.2
107.01406	0.3
117.03475	0.6
119.05023	1.0
129.03465	0.2
130.04248	0.6
131.05026	4.2
132.05360	0.2
133.02957	9.6
134.03290	0.4
142.05276	0.1
145.02934	0.3
146.03682	0.2
147.04507	5.4
148.04863	0.4
160.01688	0.4
173.02420	0.7
174.03276	0.4
175.03995	100.0
176.04338	6.2
188.01128	0.3
189.05685	0.2
197.72627	0.2
199.03989	1.7
200.04378	0.2
201.01923	16.2
202.02258	1.2
217.05029	0.3
219.02895	0.3
305.10294	0.2
307.62378	0.2
313.89093	0.2
337.09302	3.5
338.09732	0.3
381.08231	8.3
382.08554	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22355	0.2
55.01883	1.2
57.03441	0.9
59.01374	0.7
61.98817	0.2
69.50230	1.5
71.05008	2.0
74.41362	0.2
77.62466	0.2
84.04546	18.4
85.04877	0.4
90.83630	0.2
95.61348	0.2
98.20620	0.5
99.02744	0.4
120.01279	0.4
123.02734	0.3
125.04312	6.3
125.09721	21.2
126.04594	0.3
126.10046	0.8
130.08740	3.3
133.01443	0.3
162.02299	100.0
163.02681	2.5
169.89967	0.2
179.08966	0.4
183.47675	0.2
184.97729	0.2
217.16103	0.2
251.14738	10.5
252.15042	1.0
283.94247	0.3
322.20267	1.3
323.20422	0.3
357.41263	0.2
361.43399	0.3
380.19131	6.3
381.19257	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.9
59.01385	1.8
60.07416	0.6
61.98835	1.4
69.22996	3.1
69.23420	2.1
71.05024	3.9
84.04550	17.4
85.01193	0.7
100.50576	0.6
113.04320	48.7
114.04673	1.3
115.00403	0.8
133.01437	1.7
137.34377	0.6
156.98605	0.6
162.02315	100.0
163.02647	3.3
173.67139	0.5
179.08986	2.5
195.84253	0.5
251.14742	15.3
252.15092	1.3
271.11813	0.6
281.04568	4.6
293.04581	1.7
380.19055	4.0
381.13477	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	379.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60672	0.6
59.01377	100.0
60.01713	1.8
69.52685	4.2
71.01385	6.0
72.99305	1.0
73.02943	3.1
83.01407	1.8
85.02966	2.1
89.02449	3.4
91.05537	0.9
99.00874	0.9
99.92586	2.0
101.02431	4.4
109.02954	2.1
113.02464	2.9
115.92101	2.0
116.92852	7.7
117.92831	0.8
119.03528	1.4
119.09396	0.6
131.03522	0.6
134.03748	0.8
135.04521	16.0
136.04866	1.2
161.04582	1.5
162.29115	0.7
175.09830	1.3
179.03558	2.0
199.09811	1.3
200.39055	0.6
201.52171	0.7
206.15979	0.6
209.88908	0.6
297.09985	0.7
302.52344	0.7
319.14014	1.7
322.05127	0.6
341.08618	0.9
358.84091	0.6
361.09360	0.8
361.14838	0.9
379.15948	7.3
380.16211	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	380.1557
Annotation	Zeatin 9-glucoside
Peak:m/z	Relative Intensity
59.01380	27.5
61.98809	1.6
71.01382	36.1
71.05019	6.3
71.16516	1.2
72.99327	0.9
73.02954	2.3
75.67757	0.7
83.01379	1.6
85.02959	3.2
85.83999	0.7
87.00877	1.0
88.04037	5.0
89.02446	9.6
95.01372	1.3
99.00909	0.9
99.04515	2.6
101.02449	8.8
105.03519	0.8
113.02436	4.9
115.00343	0.9
116.03590	1.1
116.07131	0.9
119.03491	3.1
128.07185	2.5
129.05598	0.8
133.01428	2.7
133.02950	1.7
135.04489	1.0
142.00148	0.7
146.08232	61.0
147.04454	1.0
147.08568	1.8
160.20399	0.7
161.04559	2.1
177.01913	14.4
179.03497	0.8
191.03532	1.2
193.29120	0.7
200.09247	1.3
218.10341	0.7
219.02986	4.9
263.11334	0.8
271.96808	0.7
308.13480	6.4
309.13855	1.2
321.05981	0.9
362.14407	1.6
380.15604	100.0
381.08051	2.2
381.15976	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	379.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78503	0.5
51.51394	0.4
59.01379	3.7
61.54654	0.5
69.28667	1.9
69.29092	2.7
71.01375	1.5
71.45419	0.5
72.06564	0.6
72.16579	0.6
86.17249	0.6
89.02450	0.7
102.05624	2.2
103.05896	0.7
121.02946	0.9
128.03514	1.9
135.40610	0.6
143.41206	0.5
144.17290	0.6
145.02975	1.2
146.03693	1.6
146.04620	1.5
161.02380	1.3
173.01198	0.5
173.02425	27.7
174.03204	84.4
175.03549	5.3
189.02046	3.0
189.05559	44.9
190.05901	2.5
218.02168	3.7
233.04527	100.0
234.04848	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	379.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01721	0.9
70.95323	1.3
71.01385	5.5
72.99308	1.8
73.02950	2.8
77.51363	0.7
83.01412	0.7
85.02953	2.6
87.00891	0.6
89.02438	3.1
94.35383	0.6
99.00889	0.8
99.92614	2.8
101.02424	5.1
109.02969	1.7
113.02477	2.3
115.92099	2.1
116.92847	9.1
119.03489	1.6
119.89680	0.6
124.32743	0.7
135.04527	16.2
135.05524	1.3
136.04849	1.3
143.07225	0.7
155.10733	0.8
156.10298	0.8
161.04643	2.2
163.46988	0.7
178.13339	0.6
179.03484	3.2
194.04881	0.7
219.74461	0.6
277.12802	0.7
297.09836	1.0
319.14032	1.9
361.15115	1.2
379.11517	1.5
379.15933	6.7
380.16290	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22976	0.7
53.84082	0.6
59.01378	8.2
60.06619	0.7
61.98806	0.9
71.01382	2.2
72.36263	0.7
82.03004	1.1
84.04543	2.9
86.83281	0.7
100.04045	2.3
101.02412	1.0
102.05605	100.0
103.05939	2.3
119.69811	0.7
128.03542	77.8
129.03850	1.3
133.23441	0.7
146.04590	96.3
147.04912	2.6
161.13351	7.2
167.49751	0.7
173.02454	5.5
174.03204	19.5
175.03998	0.8
187.11212	1.1
189.05579	9.8
205.12349	8.1
233.04529	22.3
247.13324	0.8
249.11342	2.4
290.17590	2.7
292.64276	0.8
316.15558	3.6
334.16599	17.0
335.16922	2.2
360.14267	1.7
378.15549	24.2
378.28442	3.1
379.15875	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	378.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.3
61.98825	100.0
70.50806	0.4
70.51138	0.3
96.96033	0.4
185.31401	0.2
193.07593	0.2
275.20300	0.4
315.83502	0.2
378.18912	4.3
379.19345	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01110	1.5
59.01379	18.4
61.98832	100.0
65.04868	0.9
69.03483	1.1
69.84484	4.3
71.01368	6.4
72.99335	0.9
73.02937	2.0
85.02945	2.1
89.02443	5.6
91.05520	1.1
99.92581	2.3
100.92578	1.1
101.02443	2.3
109.02966	1.0
113.02412	2.3
115.92024	0.9
116.92838	1.4
119.03495	1.5
133.02983	1.3
135.04524	10.0
136.03812	0.9
136.04884	3.0
144.72304	1.0
161.04559	1.7
166.05002	1.0
179.03470	1.6
196.46318	0.8
251.05565	1.6
294.63522	0.9
314.59769	0.8
334.04504	0.9
341.10574	1.3
359.13284	1.0
362.83969	1.0
378.14771	1.2
379.07138	2.3
379.15924	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	378.153
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91544	0.8
59.01365	1.6
61.98829	100.0
66.79960	0.9
71.01385	4.5
74.90171	0.8
98.19955	2.0
101.98090	4.9
136.75618	0.7
155.99144	1.4
177.09221	1.6
185.43901	0.8
192.11581	4.4
196.05492	0.8
205.12363	2.6
207.13882	1.1
218.09470	1.5
220.14668	35.7
221.15446	53.4
222.15749	4.9
229.08740	1.8
231.17502	2.2
236.10522	45.8
237.10846	4.0
237.61655	0.9
267.75436	0.8
275.16571	4.6
293.17581	8.9
294.17728	0.8
305.12518	4.3
306.13168	2.1
308.01074	0.9
321.07623	1.1
360.14154	5.9
361.10382	1.0
378.15302	43.5
379.11618	2.2
379.15738	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	377.1422
Annotation	Go 6976
Peak:m/z	Relative Intensity
57.09890	0.5
61.51607	0.5
61.98819	1.3
62.94676	0.4
65.66752	0.4
69.97763	1.6
69.98141	1.0
82.24114	0.5
84.93884	1.0
99.92583	84.4
100.92593	4.9
100.93363	3.7
115.92075	41.2
116.92856	100.0
117.92864	6.0
123.44503	0.5
203.44856	0.5
277.21725	0.7
290.06183	1.1
299.05881	0.7
308.07199	2.6
309.07489	0.7
315.14331	0.8
333.15314	1.5
359.13126	2.1
373.11047	3.6
374.11362	1.1
377.14218	44.1
378.14468	9.6
391.12265	4.7
392.12387	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.145
Annotation	Lamiol
Peak:m/z	Relative Intensity
59.01376	40.3
61.98828	2.8
69.21082	8.5
69.96629	0.7
71.01378	11.3
72.99308	3.7
73.02944	37.9
83.01372	1.3
83.05009	1.0
85.02947	3.7
87.00880	1.4
89.02414	5.1
95.01358	1.1
95.05007	1.6
97.06588	28.5
98.06914	1.0
98.20722	1.6
101.02459	6.4
107.05032	1.1
109.02941	2.7
113.02435	7.4
115.00366	2.3
119.03500	1.8
121.06683	0.8
122.06145	1.3
123.04509	2.1
133.01450	1.7
134.03758	3.7
135.04526	100.0
136.04852	5.4
137.02422	2.3
138.05609	1.0
141.05571	22.0
149.02414	1.8
152.07202	1.3
153.09187	10.8
161.04521	1.4
165.05647	1.1
171.10294	5.7
174.83888	0.8
179.03482	18.5
179.05344	1.6
179.05592	1.5
180.03835	1.0
189.94319	0.9
197.04605	1.7
197.08104	2.1
199.07634	1.5
215.09227	56.5
216.09598	3.2
225.09157	0.8
257.10284	12.7
258.10678	1.0
287.11292	3.2
315.08661	1.4
317.12399	9.4
317.15939	1.6
335.17224	1.3
341.10910	3.8
347.08920	0.8
355.80075	1.1
359.07480	1.3
377.08716	10.6
377.14407	6.1
377.21848	2.7
378.09030	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	4.0
58.00585	0.7
59.01379	4.2
69.00548	0.3
69.03458	0.8
70.51480	1.0
71.01382	3.2
71.05030	1.8
72.99296	0.4
73.02948	1.0
81.07074	0.3
83.01372	0.5
85.02932	1.0
87.04509	2.2
89.02400	0.6
95.05003	0.3
97.06583	2.3
99.08112	0.5
101.02421	1.2
109.06578	1.5
111.08170	1.3
113.02399	0.9
113.09740	1.9
115.00391	0.4
123.08163	5.9
125.09746	1.9
127.07641	0.4
127.11201	0.4
129.09225	0.5
130.01143	0.3
133.01416	0.4
135.04495	0.7
135.08147	1.4
138.06934	0.4
139.07651	0.5
139.11317	0.8
141.09200	2.6
143.10757	3.3
151.07578	0.4
153.09203	4.1
155.10780	1.0
157.12317	0.4
169.12329	1.4
172.11035	1.1
173.11839	3.2
187.13368	1.4
216.13582	1.1
217.14410	0.9
223.17168	0.4
237.18628	0.3
249.18663	0.7
267.19589	0.3
311.22052	0.4
317.16022	1.6
331.21402	0.3
331.25082	1.1
335.17151	3.4
336.17511	0.6
341.10818	0.8
359.24362	0.4
377.17844	3.8
377.25421	100.0
378.18494	0.6
378.25754	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	375.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22984	0.1
56.08032	0.2
57.03452	1.8
58.00582	0.4
59.01368	0.5
69.03446	0.4
70.25510	0.3
70.25870	0.3
71.05024	0.3
73.02939	0.6
79.78822	0.1
83.05035	0.2
85.02984	0.2
87.04516	1.0
97.06602	0.9
99.08155	0.2
109.06577	0.6
111.08158	0.2
113.09738	0.4
115.80163	0.1
123.08155	1.4
125.09750	0.3
135.08144	0.6
137.09668	0.2
137.50127	0.2
138.06839	0.3
139.11296	1.1
141.09291	0.4
141.12909	0.8
151.11308	0.3
153.09229	0.7
155.10751	0.2
157.12354	2.0
169.12375	1.6
171.10300	0.4
185.11827	3.0
185.42064	0.2
213.11255	0.2
214.12256	0.2
215.12886	1.7
251.20203	0.4
293.21213	0.5
311.22348	0.6
325.23560	0.2
327.21722	0.5
327.25378	0.5
329.23312	3.1
330.23672	0.4
339.25540	0.8
355.24945	0.4
357.26462	4.1
358.26834	0.5
373.25958	2.9
374.26230	0.4
375.27509	100.0
376.27847	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	375.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.7
58.00587	0.3
58.05589	0.3
69.03463	0.4
69.28072	1.0
69.28496	1.2
71.05029	0.2
72.23438	0.2
73.02930	1.1
81.33566	0.2
86.83425	0.3
87.04494	0.9
94.28422	0.2
97.06590	0.4
106.75995	0.2
109.06552	0.7
113.09720	0.3
123.08184	1.2
135.08110	0.6
137.09756	0.3
139.11287	0.7
140.60080	0.3
141.09227	0.3
141.12888	0.7
147.40900	0.3
151.11285	0.3
153.09187	0.9
157.12331	1.8
169.12392	1.6
171.10263	0.4
183.13916	0.3
185.11801	3.1
213.11319	0.4
214.11992	0.3
215.12875	1.9
251.19928	0.3
271.19382	0.3
311.22256	0.6
327.21716	0.4
327.25317	0.5
329.23273	3.0
339.25452	0.6
355.25372	0.3
357.26422	3.4
358.26846	0.5
373.25934	2.7
375.27481	100.0
376.27847	13.0
376.32712	0.5
386.78217	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.275
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03228	0.2
57.03448	2.3
58.00581	0.4
59.01379	1.7
69.03432	0.5
69.16367	2.6
71.01409	0.3
71.05022	0.3
71.67519	0.2
73.02950	0.3
83.05007	0.3
87.04507	0.7
95.05015	0.2
97.06582	0.7
109.06598	0.7
111.04506	0.3
123.08175	1.4
135.08133	0.4
139.11273	0.7
141.09186	0.5
141.12823	0.7
153.09186	1.0
157.12296	1.8
169.11063	0.3
169.12306	1.3
171.04716	0.3
185.11848	2.3
187.13391	0.3
189.01927	0.7
215.12846	1.3
251.20273	0.5
265.52493	0.3
311.22192	0.8
327.25455	0.6
329.23322	3.3
330.23715	0.6
339.25363	0.6
357.26419	3.5
358.26926	0.4
370.09464	0.3
373.25919	2.7
374.26382	0.7
375.27472	100.0
376.27820	13.6
376.32742	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32917	0.6
59.01384	1.0
61.98829	100.0
69.16868	4.5
94.42010	0.6
99.58340	0.4
121.53356	0.5
255.02791	0.7
341.11035	1.2
342.55246	0.6
376.17288	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	375.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	36.8
61.98837	2.4
69.14415	18.3
95.05031	2.5
99.92591	6.3
109.57157	1.8
115.49411	1.9
115.92082	3.1
120.73827	1.8
121.10228	28.6
150.34637	1.8
169.48007	1.8
171.10258	73.7
172.10599	5.2
185.11856	2.1
207.09982	3.2
208.28909	1.8
231.21082	5.2
253.09283	2.3
275.20135	100.0
276.20413	13.9
278.11353	9.5
293.21198	73.3
294.21609	7.0
315.19385	42.8
316.19739	4.3
347.08783	1.9
359.18341	5.6
375.12759	4.2
375.21460	26.2
376.21716	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	375.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.0
57.03441	1.2
58.00586	1.5
59.01382	51.2
60.01711	0.8
69.25665	3.0
69.26064	0.8
71.01385	24.5
72.99294	2.0
73.02951	1.5
79.21371	0.4
83.01384	2.3
85.02952	6.7
87.00887	1.1
89.02449	21.0
90.02785	0.4
95.01400	2.4
99.00899	0.7
101.02443	15.0
102.02808	0.5
113.02459	8.1
113.03177	0.8
119.03505	7.2
131.03554	0.5
134.34978	0.4
143.03479	0.7
161.04634	0.5
179.05716	0.4
183.13921	1.0
195.13910	11.3
196.14250	0.6
213.14944	4.2
214.15314	0.5
232.65836	0.4
375.20236	100.0
375.27139	7.7
376.20602	12.5
376.27768	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.9
58.00603	0.6
59.01378	100.0
60.01710	1.3
61.98820	1.1
71.01386	8.7
71.50446	0.7
73.02938	1.9
74.02519	1.0
75.00829	0.6
77.06797	0.8
77.28257	0.7
79.95718	0.9
83.55032	0.6
85.02953	1.7
86.22144	0.7
87.04565	1.0
89.02449	4.2
91.31915	0.7
93.03526	0.7
101.02449	2.6
102.84171	0.6
107.01366	0.7
113.02442	2.1
115.00404	1.0
119.03508	2.2
123.04494	0.8
133.01469	0.8
133.02927	0.7
135.04535	2.0
161.02487	1.8
161.04466	0.8
169.12292	1.0
174.03239	1.5
174.99194	1.0
177.01997	0.8
179.03494	1.0
179.05574	1.4
185.11836	1.7
201.02019	1.8
217.00262	4.5
221.67363	0.8
254.08220	1.4
255.08469	1.3
267.59686	0.8
273.85904	0.8
315.12433	1.5
315.18152	1.4
329.23224	1.0
357.26498	1.5
373.25986	1.1
375.08783	1.4
375.27390	47.7
376.27756	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	374.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.7
61.98828	0.5
69.40494	1.8
70.05499	0.2
83.46698	0.2
86.84200	0.2
92.39288	0.2
101.06065	1.3
124.07661	0.6
131.09373	0.2
165.10323	0.3
189.10327	0.7
205.12265	0.3
206.13126	0.3
217.09967	0.2
232.10887	10.0
233.11220	1.2
233.85010	0.3
272.17648	0.4
289.17914	1.3
290.18710	2.9
316.16605	1.6
318.18073	0.4
324.62274	0.3
358.21344	1.0
374.24454	100.0
375.24765	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	375.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02705	0.6
69.90972	3.6
74.99090	2.9
75.35645	0.7
78.21097	0.6
80.96513	1.3
82.50983	0.7
85.83247	0.6
95.39724	0.7
98.32731	0.8
128.49005	0.7
143.05389	0.8
149.00909	1.0
159.08441	9.8
161.06409	1.8
209.01268	1.7
217.07301	1.2
265.85464	0.7
275.05804	1.0
277.07495	2.8
289.07520	2.3
291.09085	92.7
292.09161	14.3
350.56335	0.9
357.13788	1.7
359.15326	100.0
360.15482	18.9
360.20087	0.8
374.87317	0.8
375.18439	8.8
376.18710	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	375.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59210	0.7
65.19185	0.7
70.81477	1.9
74.99063	2.8
80.61355	0.7
80.96488	0.6
93.00106	1.0
130.59244	0.6
143.05304	1.0
149.00964	1.6
159.08449	10.1
161.06367	2.0
209.01303	3.4
217.07091	1.3
235.63234	0.7
275.06015	0.9
277.07526	3.0
289.07526	1.8
291.09082	98.9
292.09204	14.9
357.13882	2.5
359.15323	100.0
360.15479	17.0
375.18451	7.3
376.18869	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86661	3.0
57.03430	3.5
59.01379	57.0
60.01727	4.0
61.68368	3.2
69.18172	8.9
69.18591	21.8
71.01379	17.9
73.02958	8.7
73.38238	3.4
83.01360	3.6
84.04553	20.3
85.02956	7.8
89.02471	4.9
93.62141	3.6
98.20671	7.2
101.00704	4.0
101.02425	5.5
104.04002	3.0
113.02511	3.5
119.52645	3.6
120.01240	11.5
135.04507	8.4
151.11273	12.9
155.10765	6.8
162.02299	100.0
169.12331	5.4
179.03610	5.4
180.03806	3.3
195.10249	12.9
201.03566	3.1
212.76804	3.4
248.33794	3.7
260.93753	3.5
283.62723	3.3
373.26324	4.3
374.26300	21.3
375.27576	62.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.6
59.01378	100.0
65.28141	1.9
69.03996	1.8
71.01361	6.6
71.50497	2.4
73.02927	4.3
77.75184	1.6
84.04549	13.7
85.02942	3.0
93.72612	1.8
95.74712	2.1
101.02440	7.2
120.01234	7.0
161.04526	2.6
162.02292	55.7
163.02586	3.0
179.03510	2.8
180.03783	2.0
238.08215	2.1
314.16672	2.5
374.18857	2.5
375.23804	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	374.1973
Annotation	DHEA-7-CMO
Peak:m/z	Relative Intensity
50.44370	1.1
58.02969	4.8
59.01368	2.6
61.98831	2.6
71.50454	1.7
72.00912	9.8
80.59724	1.0
91.05533	5.9
92.87454	1.1
99.18671	1.0
118.06643	3.2
135.04556	1.4
147.04526	44.0
148.04936	1.9
164.07172	87.0
165.07489	3.3
165.12785	3.6
182.15520	3.9
194.15479	2.5
199.13406	1.3
220.13545	1.9
224.60280	1.6
268.20679	10.9
269.21213	1.5
272.53476	1.0
286.21878	1.8
290.65988	2.6
312.19696	42.2
313.20126	3.5
330.20737	10.3
356.18665	25.3
357.18958	3.4
374.19736	100.0
375.20032	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	373.2599
Annotation	oscr#24
Peak:m/z	Relative Intensity
52.92604	0.3
57.03452	2.8
58.00587	1.2
59.01393	3.9
60.06974	0.3
61.98845	0.4
63.47444	0.3
65.10638	0.3
69.03471	0.3
69.74641	0.2
70.71725	0.4
70.72041	0.5
71.01382	1.6
71.05015	1.1
72.92473	0.3
72.99271	0.3
73.02962	1.6
83.01381	0.7
85.02957	6.5
86.03341	0.3
87.04520	1.3
97.06571	0.9
98.20606	0.3
99.00887	0.3
101.02414	0.5
109.02922	0.4
111.00877	1.4
119.05050	0.3
121.02939	0.3
121.10215	1.0
123.04501	0.3
123.08159	0.8
125.09717	1.8
127.11287	0.7
129.01950	1.7
134.03754	0.3
135.04543	0.8
137.09729	1.0
139.11313	2.0
141.12831	1.3
149.09752	0.3
153.12857	0.3
155.10776	0.8
157.12349	1.6
161.02393	0.3
165.01927	0.5
167.03479	0.5
167.10794	0.6
169.12363	2.3
169.13622	0.4
171.10243	1.4
171.13921	0.4
179.03519	0.6
185.11852	3.0
194.08304	0.3
197.11757	0.4
201.05661	0.4
201.11279	0.6
205.01875	0.3
205.03600	1.8
213.11263	0.5
215.12889	10.2
216.13177	0.7
243.16031	0.4
252.48698	0.3
271.19049	0.4
279.23343	0.8
295.22797	0.8
307.22797	0.6
309.24289	0.4
313.23843	2.6
325.23874	2.1
327.25375	0.9
337.23740	0.5
341.23517	1.6
343.24893	9.5
344.25226	0.9
355.24881	3.1
371.24374	1.3
371.28458	0.3
373.25900	100.0
374.26227	10.8
374.29968	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.6
61.98833	100.0
62.39882	0.4
70.24806	1.4
84.12199	0.4
85.02983	0.5
85.51717	0.4
104.74767	0.3
135.04550	0.6
171.04594	0.8
174.03267	0.4
189.05554	6.2
189.07089	0.4
191.91623	0.3
199.95042	0.4
200.48856	0.4
207.06708	0.6
251.05693	0.6
260.14395	0.3
271.21939	0.4
311.07770	0.8
332.31598	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.8
59.01379	45.1
61.33894	3.0
62.49280	2.9
69.61468	17.7
71.01371	7.2
84.04542	22.1
86.62814	2.8
95.28625	3.0
99.71064	3.2
101.02443	3.3
138.00011	4.0
159.61745	3.3
159.63800	3.6
162.02310	100.0
171.67252	3.0
375.23706	15.7
375.27655	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	373.2592
Annotation	oscr#24
Peak:m/z	Relative Intensity
57.03440	1.3
58.00594	0.8
59.01366	1.4
69.03448	0.4
69.20957	1.0
69.21375	2.2
73.02947	0.7
73.36019	0.4
85.02923	0.5
87.04497	0.8
97.06582	1.1
121.10216	1.3
122.66119	0.4
123.08137	0.8
125.09711	1.3
137.09644	0.3
139.11285	2.0
141.12801	0.9
155.10756	0.8
157.12283	1.7
169.12314	1.7
171.10236	0.9
171.13857	0.6
185.11815	5.6
199.13385	1.8
201.11348	0.4
213.11313	0.4
215.12859	10.2
216.13252	0.6
239.50359	0.3
243.15866	0.4
313.23837	1.2
325.23657	1.8
333.53204	0.3
337.23822	0.4
341.23203	1.1
343.24875	8.2
344.25159	0.9
353.23425	0.4
355.24979	2.9
356.25269	0.6
356.77142	0.3
371.24298	1.2
372.24417	0.5
373.25909	100.0
374.26266	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	373.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.3
59.01379	3.3
69.03455	0.4
69.20749	3.6
71.05025	0.7
73.02943	1.3
83.21607	0.3
85.02933	0.5
85.06564	0.7
85.67947	0.4
92.94102	0.4
95.05025	0.5
97.06579	0.8
117.23875	0.4
123.08147	1.0
125.09705	2.5
127.11307	1.0
131.06927	0.4
137.09721	0.6
139.11327	0.6
141.12828	0.4
143.10735	0.8
153.12848	0.7
155.10828	0.9
157.12372	0.9
169.12321	1.1
171.10265	4.1
185.11815	2.9
189.00746	0.4
201.11333	0.7
215.12866	4.5
285.20801	1.7
313.23752	1.8
325.23932	2.7
337.23898	0.6
343.24954	4.1
355.24799	2.6
356.25015	0.4
371.24380	1.2
373.25934	100.0
374.26309	14.9
374.30139	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1688
Annotation	Hydroxyzine
Peak:m/z	Relative Intensity
57.03440	1.3
59.01388	5.5
59.91529	0.8
61.76974	0.7
61.98839	1.4
63.96239	60.2
64.97011	1.6
66.56627	0.8
71.01373	2.0
71.50208	1.3
79.95736	100.0
80.96516	38.3
83.01428	0.9
85.02942	2.1
96.96012	3.7
102.05601	4.7
114.69994	0.8
119.98837	4.3
121.02932	1.5
121.10259	1.8
126.43743	0.8
128.03528	7.3
135.04503	1.8
137.09735	2.3
146.04594	7.7
165.01944	0.8
171.10246	7.7
173.06401	10.2
174.06683	0.9
189.05898	47.7
190.06236	3.5
199.07628	1.1
201.09416	1.6
201.11324	8.8
244.05170	1.1
244.07518	1.0
245.08263	1.6
248.66862	0.8
269.58954	0.8
275.20135	4.2
291.19812	1.7
293.21225	4.2
294.21561	1.0
309.20651	1.0
313.23935	1.4
331.24915	1.3
355.15955	6.5
373.16898	36.1
373.26120	3.2
374.12732	1.3
374.16580	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	373.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15344	0.4
58.41787	0.5
59.01378	100.0
60.01711	0.9
65.33172	0.5
69.03458	5.0
71.01381	6.1
71.50172	0.6
71.50527	0.8
71.98760	0.5
72.99298	0.5
73.02941	2.6
80.03309	0.6
83.01398	1.0
85.02967	2.2
89.02449	3.0
95.01361	0.7
96.00438	0.6
97.02962	1.3
99.00901	2.1
101.02457	3.5
102.05626	1.8
108.91080	0.5
109.02959	4.6
110.96892	0.6
113.02445	2.6
115.00353	0.8
119.03521	0.9
122.06160	0.8
125.02427	0.6
128.03528	3.2
129.03922	0.9
132.04538	7.6
134.03725	3.0
135.04527	31.2
136.04893	1.8
145.03000	1.1
146.04677	0.8
147.04558	1.0
149.62166	0.5
151.04074	0.6
152.07198	2.1
159.04547	1.1
161.04633	1.4
164.07230	2.0
167.89874	0.5
173.04640	1.1
175.04033	2.5
179.03494	33.6
180.03894	1.4
185.00885	2.6
187.04015	2.9
187.09731	0.8
193.05084	1.2
207.06668	1.1
219.02925	1.0
219.06694	0.6
231.10167	0.6
244.12930	0.9
251.16638	0.7
255.05505	0.7
257.08255	0.9
263.05573	3.7
268.07657	0.6
280.41586	0.6
297.12424	3.0
313.16727	2.1
329.11365	0.8
329.15204	1.1
330.55362	0.6
331.17529	2.9
373.09464	1.1
373.18561	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	373.1866
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
55.84908	0.8
59.01379	100.0
60.01667	0.7
60.25516	0.8
69.19494	6.0
69.19900	1.4
71.01378	6.0
71.10614	0.8
73.02953	4.2
75.68459	0.8
83.01385	0.9
83.10550	0.9
84.15897	0.8
84.48472	0.9
85.02951	2.0
89.02441	4.9
101.02459	4.3
113.02450	3.3
119.03481	1.9
135.04501	3.7
148.31821	0.7
161.04565	0.9
162.36360	0.9
179.03561	1.7
219.02693	0.8
221.72601	0.8
257.08273	1.1
284.32623	0.8
373.26196	1.8
374.11005	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02259	1.6
57.03434	2.6
59.01379	16.7
77.39292	2.0
96.95989	5.0
97.06595	2.1
113.31254	1.9
121.10237	19.2
125.09701	7.0
167.89481	1.8
185.11798	13.0
197.11833	3.0
207.10083	4.3
211.13277	2.5
245.19099	5.6
252.16832	2.0
291.19641	63.5
292.19989	5.3
294.41684	1.8
307.03784	1.7
313.17825	100.0
314.18210	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	373.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69913	1.1
59.01377	13.2
61.98816	1.8
83.39252	1.1
89.08788	0.9
92.05768	1.0
93.03461	3.8
96.05315	1.0
140.28789	1.2
148.08984	1.8
148.27336	1.3
152.92938	1.1
163.11308	1.5
165.12845	24.5
166.13158	1.6
175.11302	1.0
198.35410	1.0
203.95354	1.3
218.88249	1.0
244.10760	3.3
247.20685	12.8
248.21014	1.3
259.79810	1.1
273.18585	4.7
291.19653	100.0
292.19934	12.4
313.17880	12.5
314.17856	1.5
368.41147	1.2
373.19983	10.9
373.24301	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.7
57.03195	1.6
57.03447	18.3
59.01374	5.9
61.98827	19.6
67.01856	1.7
68.99818	1.2
71.01385	9.9
72.99290	2.6
73.02933	2.8
75.00869	3.0
83.01379	10.0
84.02163	3.3
85.02945	100.0
86.03275	2.2
87.00825	2.4
91.01867	1.8
99.00874	2.2
101.02460	8.3
108.02159	10.3
109.02938	4.4
111.00875	29.7
111.85333	1.2
113.02469	1.6
122.03713	2.6
123.00854	2.7
123.04523	13.1
124.01643	1.9
129.01936	38.3
130.02211	1.2
137.02437	1.6
137.06049	1.4
139.44315	1.1
147.02876	1.3
149.06100	1.1
150.03206	13.0
152.01056	2.0
153.01979	1.2
161.04587	2.9
162.87564	1.1
165.01901	13.6
165.05553	2.7
166.02722	6.3
167.03477	15.9
177.01898	1.9
178.02666	9.8
181.05081	10.2
187.02443	2.3
189.05511	4.7
193.05043	27.5
194.05261	2.1
195.02939	1.9
196.18434	1.2
205.01727	1.5
205.03528	20.3
223.04567	29.9
224.04965	1.6
328.07895	2.6
343.10281	31.1
344.10590	2.0
355.10306	5.0
373.07932	1.3
373.11401	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1139
Annotation	Citrifoside
Peak:m/z	Relative Intensity
55.01873	4.7
56.80832	1.5
57.01439	2.1
57.03452	18.1
59.01388	11.7
61.98831	70.2
68.99814	2.6
70.63731	4.0
71.01384	16.8
72.99287	1.5
73.02952	4.0
75.00878	5.3
83.01379	8.0
83.15315	1.8
84.02173	2.5
85.02950	100.0
86.03287	2.2
87.00878	4.0
88.67382	1.7
89.02465	4.3
91.01903	3.2
95.01405	2.5
99.00884	2.2
101.02454	7.6
108.02171	25.3
109.02962	15.8
111.00876	31.2
111.01587	2.9
113.02470	5.0
122.03732	4.9
122.63982	1.7
123.00877	5.1
123.04532	24.1
124.01665	3.3
129.01944	39.8
135.04495	5.0
137.02420	3.5
137.06125	3.0
149.02475	1.8
150.03224	26.7
151.03954	2.4
152.01051	1.8
153.01898	3.8
153.05516	2.0
161.04561	3.9
163.03996	2.4
165.01935	35.1
165.05548	8.4
166.02724	12.8
167.03473	15.0
168.04131	1.9
177.01891	4.2
178.02707	24.5
179.03500	3.2
181.05069	28.9
189.05583	17.0
193.05049	70.9
194.05412	4.1
195.02968	4.5
205.03534	25.4
207.06595	2.5
211.06059	2.6
223.04564	32.7
311.07742	3.6
328.07932	8.7
343.10315	72.2
344.10696	6.0
355.02768	1.8
355.10287	14.4
356.10373	2.1
373.07181	3.1
373.11435	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	7.2
57.73200	1.0
59.01377	8.6
61.98825	15.3
68.39660	0.9
68.99815	1.2
69.03458	1.1
71.01378	7.9
73.02945	2.8
75.00875	1.2
75.04726	0.9
75.79241	0.9
83.01379	3.4
84.00875	1.1
85.02948	37.7
87.00879	1.0
89.02463	1.2
91.01861	1.8
91.05520	1.6
101.02449	3.9
108.02174	3.8
109.02937	5.4
110.00088	9.1
111.00868	9.6
113.02435	3.1
122.03741	1.3
123.00900	2.3
123.04499	4.8
124.01688	1.9
125.02431	8.1
129.01941	15.9
130.79791	1.0
133.02957	1.4
134.03735	1.0
135.04541	7.5
137.02429	2.8
137.99582	11.4
139.00369	6.7
139.03996	2.6
149.99542	1.7
151.03996	1.5
152.01146	4.3
153.01926	100.0
154.02689	9.9
155.03545	1.3
157.93492	1.1
161.04547	3.7
163.00557	0.9
163.63747	1.0
166.02748	6.9
167.03493	17.8
168.00612	2.2
168.04265	47.0
169.01540	1.0
169.05049	19.9
170.05518	1.1
179.03569	1.3
181.05075	5.4
181.08681	2.8
191.05620	2.4
193.05043	2.3
199.96065	0.9
205.03490	6.5
209.04530	1.5
211.06058	4.5
223.04579	11.9
241.07097	2.4
285.11182	4.5
319.02145	1.1
352.40430	1.1
373.07434	3.4
373.11148	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	371.1497
Annotation	Dihydroxybergamottin
Peak:m/z	Relative Intensity
57.03432	1.5
59.01377	7.4
61.98819	3.4
63.18385	1.0
65.00323	3.0
81.03451	24.5
83.01385	10.3
84.01691	1.0
93.03539	1.0
95.01390	1.3
95.05019	1.0
107.01409	3.0
111.31079	0.9
115.44975	1.1
121.02940	1.3
123.04526	40.6
124.01663	2.8
125.02436	15.8
135.04482	1.9
137.02415	2.3
151.00356	18.3
152.01109	1.6
159.44836	1.2
165.01933	1.5
166.02693	20.4
167.03488	100.0
168.03827	4.7
176.08543	1.4
179.03494	5.5
191.10840	1.5
198.01796	1.0
201.01898	1.9
202.10100	5.5
203.10623	1.8
217.12268	4.7
247.74083	1.0
325.10797	1.3
356.12500	2.0
371.14935	81.4
372.15125	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	372.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67649	7.8
58.93923	9.0
59.01376	30.1
61.98825	100.0
69.32648	8.1
71.15161	8.3
71.15482	15.6
72.34080	7.9
90.20676	9.4
94.32131	9.3
131.21942	9.5
139.59430	9.6
376.78763	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	372.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86950	11.7
59.01374	21.0
61.98819	31.0
62.46052	10.7
69.14560	21.8
69.14967	100.0
98.19871	24.2
111.83607	12.7
167.03400	22.1
168.03859	14.2
172.70294	11.0
208.43741	11.7
209.75674	10.7
302.07648	14.5
372.15353	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	4.4
57.03450	17.3
59.01370	3.7
61.98829	22.8
69.03430	1.3
70.24727	4.6
71.01375	7.2
73.02938	2.6
81.89035	1.2
83.01382	7.9
84.02171	2.1
85.02950	100.0
86.03294	2.2
91.01913	1.5
99.00893	1.8
101.02423	5.9
108.02220	2.1
109.02932	2.6
110.00079	2.8
111.00892	26.5
117.97541	1.2
123.04534	7.3
125.02427	3.2
129.00977	2.3
129.01939	42.4
130.02254	1.5
135.04500	1.7
137.99582	4.3
139.00359	4.0
152.01160	2.8
153.01932	45.8
154.02580	4.2
161.04572	3.3
167.03476	17.9
168.04279	22.0
169.05049	10.0
179.03482	1.3
187.02527	1.3
193.05035	1.5
205.03525	20.6
223.04576	31.1
228.13867	1.3
241.07054	1.7
285.11456	1.4
305.88458	1.3
320.81738	1.4
362.36551	1.3
373.11572	1.6
385.29263	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	371.077
Annotation	7-Hydroxy-3,5,8-trimethoxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
51.78833	0.2
59.01374	1.0
61.98814	0.3
69.78451	0.9
77.03968	0.2
87.01420	0.2
87.79654	0.2
87.89189	0.1
93.03461	0.3
115.92104	0.3
121.02954	100.0
122.02417	0.2
122.03288	4.1
133.02921	0.2
135.04559	0.2
149.02483	0.6
151.04025	0.3
159.81868	0.2
163.87355	0.2
179.03490	10.0
180.03848	0.6
181.01031	0.1
181.06577	0.4
197.02513	0.7
197.06255	0.2
225.01909	1.0
225.05664	0.6
239.07312	0.3
301.55460	0.2
327.06955	0.6
343.06476	0.3
371.07932	11.5
371.20078	0.3
371.24011	0.9
372.08389	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49636	0.7
55.01878	1.1
56.59007	0.8
57.03448	3.1
59.01382	20.4
67.01906	1.6
68.99813	2.9
69.03454	2.0
71.01383	17.1
72.99314	5.5
73.02937	1.5
75.00878	20.0
78.13742	0.7
81.03450	1.1
83.01386	2.0
85.02952	17.9
87.00880	6.8
89.02447	5.1
91.03967	0.9
93.03455	1.5
95.01396	6.0
99.00878	11.2
103.00369	2.6
109.02978	0.8
111.00896	0.9
111.04449	0.8
113.02457	21.3
115.00362	1.8
117.01959	3.5
121.02962	100.0
122.03284	4.1
129.01958	1.2
157.01440	0.7
175.02484	3.1
178.63036	0.7
189.04045	1.1
231.05122	7.3
249.06160	68.3
250.06503	4.0
353.08862	2.2
371.09805	45.3
372.10208	5.8
374.40085	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	21.0
59.01382	6.8
60.83764	1.8
61.98824	2.6
65.43893	1.5
68.27908	1.2
69.78852	7.7
71.01411	1.8
77.53979	1.3
83.01377	2.7
98.20624	3.1
100.14645	1.5
109.02948	24.9
121.02967	3.3
122.03793	3.7
123.04542	3.1
124.01679	25.0
125.02462	60.4
125.09742	13.5
126.02783	2.5
133.02971	35.5
133.06590	1.9
134.03284	1.6
136.01637	2.4
137.02371	1.5
146.03726	2.8
149.02432	4.8
149.09712	1.5
151.00336	5.3
151.07590	1.5
157.06488	1.6
161.02409	1.6
167.03516	3.9
177.01926	18.6
177.09192	8.9
192.00607	2.0
193.01468	22.1
193.08701	100.0
194.09052	6.0
201.09238	18.8
202.09727	1.7
217.08665	2.6
219.06621	3.8
235.09727	3.2
245.08286	10.0
261.07669	22.0
262.07928	2.3
353.10574	3.1
371.11288	3.2
371.24319	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	371.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49654	10.6
69.48821	75.0
75.18347	9.7
91.34411	10.4
154.78529	10.1
181.58167	11.7
191.05579	100.0
211.00743	10.4
261.02118	10.9
347.08130	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	369.1922
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
53.81040	0.3
55.01886	5.3
56.02232	0.4
57.03452	19.9
58.00600	1.4
58.03777	0.5
59.01384	20.0
67.01894	1.2
68.99831	0.8
69.03456	5.8
69.23882	2.8
71.01385	87.3
71.05020	4.9
72.01723	1.6
72.99313	2.3
73.02948	15.8
75.00841	0.4
79.01893	0.5
81.03450	1.7
83.01395	10.4
83.05030	1.1
84.02178	1.9
85.02954	63.2
86.03300	1.5
87.00879	7.0
89.02448	9.7
95.01390	20.3
95.05040	2.2
97.02956	6.3
97.06586	1.1
98.20659	0.8
99.00886	8.1
99.01530	0.4
99.04525	2.0
101.02446	16.1
107.05047	0.5
109.02951	0.5
109.06589	2.7
111.04530	3.3
112.01670	1.5
113.02455	84.8
114.02747	2.1
114.78269	0.4
115.04012	1.1
121.06596	1.1
121.10155	0.6
122.03696	1.0
123.08169	4.1
123.39252	0.3
124.01631	0.5
125.02425	3.0
125.06080	1.4
125.09782	0.6
127.03976	0.7
129.01959	0.5
135.04526	1.4
135.08130	1.2
136.05312	1.1
137.06093	1.3
137.09732	6.7
138.06876	23.5
139.00385	0.8
139.07346	0.8
143.03506	6.0
146.86237	0.4
149.09703	1.6
151.07666	4.2
151.11311	1.5
152.08434	6.2
153.09219	58.9
153.12740	1.9
153.69330	0.4
154.08372	0.5
154.09546	3.3
155.10782	0.4
161.04558	6.8
163.11292	5.5
164.11598	0.8
165.09181	0.7
165.12830	0.4
177.09171	0.4
177.12860	0.6
179.14427	1.5
181.12325	2.8
185.00911	1.0
189.12846	1.4
191.10826	0.5
192.11565	0.5
195.13899	4.0
197.15460	4.6
205.12357	2.8
205.33626	0.4
207.13904	19.3
208.14238	1.6
209.15497	0.9
223.13414	0.4
225.14966	100.0
226.15306	8.1
265.04865	0.5
295.15524	0.6
298.50070	0.3
309.13461	1.1
327.14545	0.5
337.03516	0.6
339.18149	0.4
369.19180	87.5
370.19482	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	371.056
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88359	0.7
59.01387	6.9
59.72921	0.8
60.59620	0.7
61.98835	1.1
70.55817	2.2
71.01382	1.1
109.87227	0.7
117.03436	1.2
117.15831	0.8
121.02973	0.9
123.04487	0.8
133.02919	1.8
147.04504	0.8
157.02940	6.2
161.02408	1.7
169.02992	4.2
185.02489	1.3
193.08679	1.7
197.02435	23.8
198.02809	2.0
201.02000	1.1
219.10349	1.2
224.99673	1.3
225.01927	25.9
226.02283	2.6
243.04778	0.8
257.05960	1.2
270.06830	0.8
271.07639	0.9
281.06064	0.9
283.07193	0.9
287.06967	1.7
297.05563	2.3
299.07050	2.2
301.05133	1.6
315.06577	1.9
325.04999	3.1
326.05417	1.1
327.06531	4.7
341.04410	1.0
343.06137	7.6
344.06555	1.3
350.60898	0.8
356.03244	1.0
369.04175	1.5
371.05597	100.0
371.24411	3.5
372.05954	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	369.1339
Annotation	Arizonicanol D
Peak:m/z	Relative Intensity
57.03449	3.0
59.01381	1.7
61.98813	1.2
65.00320	1.6
65.60904	0.6
70.47016	0.6
71.33593	1.1
81.03450	17.7
83.01381	12.8
95.01392	1.5
95.05051	1.1
107.01366	2.5
123.00914	0.7
123.04521	38.9
124.01659	2.1
124.04853	2.2
125.02443	17.7
126.02827	1.0
139.00352	0.7
151.00362	12.4
152.00989	1.0
166.02719	7.8
167.03482	100.0
168.03790	6.2
173.06140	1.3
174.06779	2.9
179.03452	4.7
189.09225	1.6
200.08400	6.5
201.09163	3.0
215.10728	3.8
253.12317	1.3
270.24933	0.6
285.11386	0.7
302.89627	0.6
369.13391	59.5
370.13766	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	369.1342
Annotation	CHEBI:70603
Peak:m/z	Relative Intensity
59.01379	0.9
61.98816	0.9
65.35844	0.4
67.01883	2.3
69.91065	1.5
85.02949	0.7
89.03986	0.4
91.77782	0.4
96.57537	0.4
97.05534	0.4
97.06580	0.6
97.43254	0.4
103.05539	0.9
119.05006	1.1
130.04195	0.8
131.05049	3.0
132.05374	0.4
133.02951	7.6
140.24153	0.4
145.02948	0.8
146.03703	1.1
147.04520	4.8
148.04791	0.4
152.28218	0.4
160.01741	0.5
161.02458	0.6
173.01241	0.3
173.02423	15.2
174.03189	5.4
175.03990	100.0
176.04327	5.7
189.01932	1.5
201.01978	0.9
218.02126	2.2
280.35657	0.4
314.22977	0.5
325.06833	0.5
325.14420	0.6
369.09714	0.9
369.17572	1.0
386.43564	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1187
Annotation	Hapalindole F
Peak:m/z	Relative Intensity
55.01873	1.0
57.03442	1.2
59.01379	23.5
69.03442	1.4
69.52850	0.9
69.53252	3.0
71.01381	15.0
72.99303	1.1
73.02941	9.3
73.56767	0.7
83.01394	2.7
85.02946	11.7
87.00867	4.6
89.02434	6.2
90.47849	0.5
92.50835	0.5
93.03452	44.8
94.03787	1.7
95.05018	3.2
98.20728	1.0
99.00832	1.2
99.04517	0.6
101.02439	6.7
102.05579	1.6
108.02136	1.5
111.00850	3.1
113.02450	2.7
117.03475	1.3
119.05029	14.7
121.02924	3.6
121.06548	0.6
128.03494	0.8
129.01939	2.2
133.01422	1.0
133.02971	1.6
133.06573	2.3
134.03743	0.9
135.04478	2.5
137.02408	0.6
137.06091	0.8
143.03473	1.7
146.04578	1.5
147.04509	31.9
148.04868	1.8
149.06070	8.9
150.06433	1.1
161.02411	1.3
161.06104	1.6
163.04001	11.5
165.05553	38.7
166.05882	2.0
166.90250	0.5
177.05602	0.7
205.03508	2.2
207.02901	3.1
223.04601	8.4
228.42665	0.6
262.40213	0.6
309.09814	5.0
327.10800	24.1
328.11136	1.8
369.11853	100.0
370.12149	11.4
381.67606	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80291	0.4
55.01865	1.3
57.03448	4.2
59.01376	20.2
61.98814	0.8
64.13029	0.5
69.03464	0.6
69.61067	3.0
71.01382	12.1
72.99306	1.3
73.02944	18.3
74.22549	0.4
75.00880	0.9
83.01382	6.3
84.02180	0.6
85.02950	22.4
85.74262	0.4
86.03314	0.7
89.02431	1.8
93.03453	1.4
98.19927	0.9
99.00877	1.0
101.02439	13.8
111.00883	8.4
113.02451	2.0
119.03493	0.4
119.05054	2.5
123.73293	0.5
128.03610	0.5
129.01958	6.9
133.02934	0.9
143.03519	0.8
147.04517	100.0
148.04863	5.4
161.04518	1.9
163.04019	1.6
165.05589	1.7
191.05626	3.5
205.03513	7.2
207.03041	1.0
223.04581	22.0
224.04938	1.1
274.91507	0.6
369.12106	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	3.1
57.43317	1.1
59.01363	4.3
61.98802	2.4
62.99191	1.0
65.00317	2.3
70.54423	2.6
70.54782	2.1
71.01331	1.1
71.13689	1.2
76.45496	1.1
80.28954	1.2
80.37815	1.1
81.03449	13.1
83.01382	9.2
95.01384	1.4
107.01397	2.2
118.89023	1.1
123.04524	39.3
124.01668	7.3
125.02445	17.4
125.09689	2.1
129.98923	1.2
151.00381	12.1
152.01076	1.9
165.01920	2.3
166.02704	11.0
167.03487	88.6
168.03793	4.2
168.98988	1.7
173.06044	1.3
174.06799	4.0
179.03444	3.7
189.09219	1.6
193.08707	8.2
200.08459	8.5
201.09218	2.6
215.10692	4.6
291.19595	2.4
308.64011	1.2
309.20569	3.0
341.13831	6.1
369.13321	100.0
369.26404	2.8
370.13565	14.1
370.17389	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.098
Annotation	(7'S)-Parabenzlactone
Peak:m/z	Relative Intensity
56.64577	0.9
57.03453	1.0
59.01369	1.0
61.98831	1.3
65.00326	6.2
70.46766	2.9
91.01897	1.2
93.03473	1.4
107.05030	4.4
108.02214	1.9
109.02956	3.8
109.06594	2.0
121.02943	2.7
123.04497	1.3
124.01669	1.3
129.07126	2.2
131.05060	5.2
131.08699	1.1
133.02992	8.0
133.06618	6.5
145.02910	1.9
148.01668	4.2
149.02475	9.6
149.06097	7.7
151.07605	2.4
161.02509	3.2
161.06111	1.0
163.03937	0.9
163.07562	2.1
164.81961	1.0
173.02457	2.9
173.06073	7.0
175.04065	4.7
175.07674	1.9
176.01157	2.0
177.01950	1.2
189.05579	1.6
191.07144	2.1
193.08694	3.5
199.03867	1.7
201.01910	6.0
203.13701	1.1
211.03979	1.7
212.04831	1.1
217.05078	21.0
218.05475	1.1
219.06596	3.5
224.04671	1.4
227.03516	1.9
239.03581	1.8
240.04303	1.6
255.10580	1.1
256.03702	1.4
263.07007	1.4
264.07666	1.2
267.02957	4.5
268.03793	4.2
272.03354	1.3
279.03009	1.7
279.06622	1.2
281.08145	3.9
281.11591	1.6
295.09851	1.4
307.06186	1.3
307.09705	4.1
323.09241	65.3
324.09637	8.5
325.10803	7.3
342.29782	1.2
351.04294	1.9
351.08737	89.8
352.09082	12.4
369.09793	100.0
370.10068	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	369.0977
Annotation	Oxidihydroartocarpesin
Peak:m/z	Relative Intensity
57.03442	0.9
59.01375	1.3
62.37951	0.5
63.02394	1.1
65.00320	0.6
69.37515	1.5
69.37934	1.2
71.01378	0.6
73.02924	0.5
81.03448	0.4
85.02943	0.8
89.02451	0.5
91.01913	0.6
97.06574	3.4
98.19810	0.6
98.54354	0.3
101.02448	0.5
101.62038	0.4
103.99454	0.4
107.01371	0.9
108.07783	0.4
109.02927	0.4
128.03554	0.5
131.05067	0.3
132.02145	0.6
135.00853	1.0
137.09709	0.5
143.10811	0.4
151.00304	0.7
151.89783	0.3
157.02916	0.5
163.00339	0.4
175.04018	0.5
176.01073	0.4
178.71855	0.4
195.04410	0.5
196.05397	0.5
197.06055	0.4
199.15343	0.4
201.01825	0.5
211.03940	0.8
214.02669	1.1
223.04088	1.0
224.04733	0.8
225.05580	0.7
237.05536	0.4
239.03448	1.8
240.04187	1.1
246.01674	0.6
253.05074	1.4
265.05048	0.5
267.02972	3.0
268.03726	16.3
269.04153	1.7
281.04547	1.1
282.05365	4.2
283.06100	3.6
287.38998	0.5
293.04510	10.9
294.04907	1.0
297.04105	0.5
300.02780	1.6
302.17630	0.4
308.03189	1.4
308.95139	0.4
311.05588	9.6
311.09256	3.3
312.05875	1.3
312.09338	0.4
323.09207	1.7
325.23758	0.6
333.07675	1.3
335.05542	1.5
336.06052	0.6
351.08710	8.6
351.12219	0.6
352.09064	1.0
369.09747	100.0
369.22269	2.4
370.10059	14.1
370.14642	0.6
370.17792	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.2
59.01383	10.4
65.00283	1.0
70.36315	1.0
70.36671	2.5
71.01373	1.3
73.02940	1.6
79.01885	1.9
83.01380	1.5
85.02939	1.5
95.01349	0.8
97.02945	7.9
97.06585	0.7
108.02180	2.7
109.02953	4.2
111.04568	0.7
115.00397	0.7
120.01254	7.0
121.02935	2.8
123.04517	4.3
123.08118	1.0
125.02355	0.8
128.03575	0.7
131.05026	0.9
133.02960	5.7
135.00908	1.4
135.04512	1.3
135.07201	0.7
136.01675	5.1
137.02438	1.3
138.05750	0.7
144.01224	1.5
148.01675	1.0
149.02397	4.5
149.06079	1.2
151.04015	1.5
159.86832	0.7
161.02466	2.1
161.06024	0.9
163.00375	3.1
164.01118	3.2
165.01851	1.0
167.88631	0.7
168.29581	0.8
173.06042	0.9
174.03256	0.9
175.04044	5.0
177.01918	1.6
185.06059	1.6
187.07648	1.7
189.01944	0.8
189.05521	1.7
191.07306	0.9
198.03149	1.0
199.03929	3.4
199.07594	1.1
201.01944	3.1
201.18872	0.8
201.29527	0.7
203.07181	1.2
205.05075	1.2
207.02806	1.0
211.03940	0.7
211.07500	1.0
213.05521	5.3
220.02826	1.0
223.07603	1.3
225.05727	1.0
226.06281	3.2
227.03450	1.4
227.07091	3.0
231.06638	17.2
232.07036	1.2
236.58192	0.7
237.05626	1.2
240.04140	1.2
241.05212	0.9
243.06708	0.9
253.04976	1.7
255.06624	2.5
267.06598	2.0
268.07501	0.8
269.04590	2.5
269.08200	1.9
270.05353	1.0
271.06094	1.9
281.04861	0.8
281.08035	1.7
284.03391	1.5
297.04019	7.3
298.04749	11.4
298.65591	0.9
299.05585	25.5
300.06042	2.1
309.03897	1.3
325.14404	1.3
325.20154	4.8
330.03778	4.5
339.08621	2.4
351.08667	5.3
352.09360	0.9
369.09708	100.0
369.13544	9.6
369.22299	3.9
370.10056	12.1
370.14041	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77727	0.4
59.01393	0.5
63.77093	0.4
65.00316	1.3
77.03965	0.7
79.01895	4.1
85.02975	0.5
88.79742	0.4
93.03436	0.5
95.01382	0.5
96.77467	0.3
96.96007	0.5
97.02962	6.2
98.78844	0.5
101.25887	0.4
107.01413	1.0
108.02207	3.3
109.02953	1.3
121.02972	4.0
123.00948	0.5
123.04496	0.9
124.60408	0.4
131.05043	0.4
133.02963	5.7
134.36812	0.4
135.00873	1.9
136.01675	5.8
137.02441	0.9
148.01668	1.2
149.02449	3.2
149.06114	1.0
151.04056	0.7
157.03050	0.5
158.89259	0.5
159.89404	0.7
161.02409	1.0
163.00383	3.8
164.01158	4.2
165.01947	5.4
173.06100	0.8
175.03983	4.1
177.01842	0.4
185.06097	0.8
187.07635	0.9
189.01933	0.7
189.05647	0.9
198.03180	0.5
199.04001	3.8
199.07614	0.5
201.01909	2.5
209.06175	0.6
211.04007	0.5
211.07640	1.1
212.04837	0.7
213.05611	4.0
214.02513	0.5
217.05037	0.9
223.99640	0.4
225.05510	1.1
226.06305	4.8
227.07068	2.3
229.04918	0.4
231.06639	5.8
232.06943	0.7
237.05490	0.9
240.04172	1.0
241.04900	0.9
243.03145	0.8
253.05344	0.8
255.06581	4.5
268.04068	0.7
269.04489	2.1
270.05374	1.8
271.05966	1.2
281.04492	0.7
293.04578	5.2
297.04071	8.0
298.04822	14.7
299.05597	20.4
300.05865	1.9
325.10706	0.5
330.03772	5.6
351.08694	4.1
352.09360	0.7
369.09796	100.0
370.05511	0.8
370.10086	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	369.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.2
59.01375	3.3
61.96963	0.4
65.00322	6.0
65.03955	1.0
66.04368	0.5
67.01894	1.1
69.80441	1.4
69.80853	0.7
71.01374	1.7
71.05023	0.6
77.03944	0.6
77.40532	0.4
83.01420	0.5
85.02924	1.0
89.02431	1.8
89.03979	2.5
91.01904	4.2
93.03472	0.6
93.08564	0.4
95.05038	0.6
98.20724	0.5
100.05313	0.7
101.02423	0.7
105.03457	1.3
105.07073	0.8
107.05010	1.0
109.02946	11.0
113.02376	0.5
115.07637	0.4
121.02935	1.6
123.04492	0.7
123.08186	0.8
125.02406	0.7
125.06078	1.0
131.05006	0.9
133.02959	13.7
134.03256	0.5
135.00847	2.1
136.01570	0.6
137.09727	1.3
147.08034	0.5
149.02440	3.0
149.06058	3.0
151.00410	0.6
155.10748	2.4
163.00352	8.1
165.09169	0.7
167.07133	1.9
173.06024	1.2
175.04007	1.6
177.01927	18.5
178.02293	1.2
191.07129	2.4
193.05052	3.1
197.06319	0.4
199.03935	1.4
201.01894	4.4
214.02718	0.6
214.56105	0.5
215.03217	0.4
217.05051	1.2
220.13168	0.4
225.05568	0.6
227.03568	1.0
235.06096	35.2
236.06425	2.4
239.07065	0.8
241.05031	0.4
253.05081	2.1
254.05574	0.6
267.06580	1.6
269.04510	0.6
269.08313	0.4
283.05963	0.8
293.04697	0.8
295.09912	0.7
297.04037	1.2
299.09198	2.9
309.04065	0.5
309.07611	0.8
311.05563	9.9
312.05835	1.4
313.11176	0.4
325.10785	1.1
325.23895	0.7
341.10321	2.1
351.08636	1.7
369.09741	100.0
369.13403	4.3
369.22247	2.3
370.10071	13.3
370.14639	0.7
370.23239	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.8
61.98816	1.2
65.00339	1.6
69.18137	6.4
71.01388	1.1
79.01922	1.0
82.65251	0.8
83.01412	0.7
85.02929	0.8
91.01932	0.7
93.03484	1.1
97.02962	0.6
98.19839	1.5
102.93585	0.7
109.02956	3.5
111.00851	1.0
115.47395	0.7
116.01778	1.3
121.02951	2.7
123.04527	1.7
127.63380	0.7
133.02960	7.7
134.03752	2.8
135.00906	2.2
135.04533	1.9
139.03989	0.7
142.73093	0.7
149.02423	1.4
149.06108	1.3
151.03983	0.9
161.02470	1.9
163.00385	14.2
163.04042	1.8
164.00929	0.9
165.01863	1.9
167.03366	0.7
169.27673	0.7
175.03996	2.0
177.01953	2.9
183.01137	1.2
197.03423	0.8
197.05986	0.9
201.01938	2.0
201.05641	0.8
205.05170	0.8
205.13588	1.4
217.05142	0.9
223.04156	0.7
225.05594	2.1
227.03445	1.7
235.06093	4.8
241.05031	1.5
253.05031	1.4
255.02956	0.9
269.04568	3.8
270.05249	1.4
297.04041	18.8
298.04825	47.6
299.05508	21.5
300.05942	1.8
311.05685	3.1
325.14301	0.8
330.03745	2.8
337.16125	1.3
351.08743	5.7
352.08966	1.5
355.90396	0.7
369.09778	100.0
369.17667	2.4
369.22888	3.1
370.10086	15.1
370.14603	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16615	1.0
55.01867	4.7
57.03442	16.5
59.01384	6.4
67.01880	1.1
71.01374	10.1
71.23236	2.3
72.65646	1.0
72.99327	1.6
73.02957	2.7
75.00865	2.9
83.01379	9.3
85.02945	89.1
86.03312	2.2
87.00880	1.8
87.14568	1.0
93.03467	1.3
101.02436	7.8
111.00874	34.5
119.05019	7.9
128.78058	1.1
129.01941	27.9
145.02896	1.2
147.02969	3.1
147.04468	2.8
161.04515	2.1
163.03944	6.0
165.05516	3.2
187.02394	2.0
204.99460	1.2
205.01646	2.0
205.03519	32.3
223.04564	100.0
224.04881	4.6
327.10822	1.3
369.11749	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	369.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63998	0.9
55.01871	6.0
57.03450	20.6
59.01385	6.6
61.14257	1.3
67.01884	2.5
69.36349	7.1
71.01379	9.5
73.02946	2.5
74.03423	0.8
74.44241	0.9
75.00870	1.9
83.01403	10.1
84.02171	2.0
85.02953	100.0
86.03279	2.7
87.00882	1.6
99.00882	1.7
99.66186	1.0
99.99375	1.0
101.02435	4.6
110.21547	1.1
111.00887	28.8
112.01221	1.0
119.05049	13.3
129.01947	38.8
130.02321	1.2
130.31380	1.0
145.06624	2.5
147.04538	2.4
161.04500	2.8
163.04042	8.2
187.02518	1.2
189.05539	2.8
191.05664	1.0
205.03548	20.6
223.04594	37.7
224.04979	1.8
317.46356	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	4.3
57.03200	1.3
57.03445	17.5
59.01367	3.4
59.64684	1.0
61.09258	1.2
67.01875	3.6
69.24646	8.6
69.24973	0.9
71.01384	7.2
72.99292	2.5
73.02948	2.4
75.00825	1.4
83.01385	8.9
84.02167	2.2
85.02945	100.0
86.03264	2.6
87.00875	3.9
89.77795	1.3
93.03444	11.2
101.02446	8.1
102.69158	1.1
105.03487	2.0
111.00879	28.2
111.04472	1.6
112.01117	1.2
119.04993	8.4
123.04520	1.1
125.02412	1.2
129.01942	37.6
130.02296	1.5
133.01399	1.5
133.02965	9.5
135.04488	1.9
145.02992	1.3
149.02472	2.6
150.03200	3.0
151.03981	1.7
161.04561	2.5
163.03990	7.4
165.05547	2.8
173.04535	7.3
177.01810	1.7
187.02405	2.2
191.05614	18.0
195.02940	1.7
196.78429	1.0
201.06862	1.1
205.03523	24.9
206.03735	1.2
223.04584	48.5
223.06801	2.5
224.04953	1.8
250.95180	1.2
250.99701	1.1
334.39944	1.1
351.07019	2.5
369.08124	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	5.6
57.03449	15.0
59.01385	6.0
67.01912	1.4
70.07926	4.6
70.78194	1.0
71.01377	11.0
72.99289	2.0
73.02946	3.3
75.00861	3.0
83.01395	10.8
84.02181	1.3
84.46091	1.1
85.02952	95.4
87.00867	2.9
101.02435	8.5
110.90385	1.1
111.00884	34.1
119.05045	7.2
120.05388	1.2
128.49684	1.1
129.01947	32.9
133.02832	1.4
145.03050	1.6
147.03012	2.3
161.04520	1.9
163.03952	6.2
179.47820	1.1
187.02405	2.5
187.03932	1.2
205.03516	31.7
206.03886	1.4
217.98918	1.1
223.04579	100.0
224.04861	3.6
249.65373	1.2
327.56088	1.3
370.03207	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31375	5.8
59.01378	100.0
59.08792	6.1
59.23314	4.9
60.78445	4.9
61.24105	4.6
62.29760	4.9
66.90908	5.7
69.12220	9.8
69.12620	51.2
76.25629	5.6
132.33331	6.7
133.85818	5.9
174.89279	5.6
244.33061	5.6
261.27408	5.2
278.61588	6.1
289.11823	5.0
293.21051	6.6
349.26697	22.4
367.26868	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	367.264
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
59.01371	1.0
61.98819	0.8
77.90145	0.3
84.66652	0.3
119.48296	0.3
133.06602	2.4
138.19171	0.3
149.09714	82.4
150.10056	4.8
189.12871	0.5
205.15970	82.3
206.16319	6.9
263.30502	0.3
352.24579	0.4
367.26392	100.0
368.26721	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.3
57.03445	17.7
58.36853	1.1
59.01371	4.6
67.01906	1.9
68.18855	1.5
71.01378	8.3
71.08094	1.3
71.08426	2.4
73.02958	2.5
75.00874	1.9
83.01374	11.9
84.02176	2.1
85.02949	100.0
86.03285	1.8
93.03464	4.7
101.02447	5.6
111.00881	28.5
111.04442	1.4
115.70715	1.3
119.05040	10.1
122.36361	1.3
129.01938	34.2
133.02957	4.1
147.04541	2.4
161.04539	3.1
163.03976	8.0
163.68054	1.3
164.30397	1.2
173.04556	4.3
177.01913	2.2
191.05608	8.8
192.26241	1.2
205.03493	27.9
206.03940	1.6
215.05760	1.2
223.04575	43.7
224.04848	2.9
336.43073	1.3
351.06952	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	367.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.4
61.98816	1.6
63.02399	11.1
65.00323	17.6
70.40807	0.8
70.41156	2.2
80.02680	1.5
82.01332	0.6
83.01379	10.8
91.94904	0.7
93.36061	0.7
107.01388	28.8
108.02209	5.7
108.99258	0.8
124.01609	0.6
125.02396	2.9
136.01637	4.3
141.97377	0.8
151.00360	69.8
152.00711	2.6
157.42186	0.6
164.01140	4.1
165.01895	3.7
166.02695	1.9
169.01460	3.4
171.10301	1.9
174.06879	2.7
175.74780	0.9
177.01921	4.1
181.64218	0.8
183.08095	1.0
189.09071	1.1
196.00092	3.2
199.07632	6.1
200.08412	59.3
201.08801	4.9
213.59953	0.6
215.10736	35.1
216.11069	3.2
222.08830	0.9
246.86348	0.7
275.20096	1.8
293.21140	1.8
331.18793	1.3
351.08603	0.8
352.09677	1.7
367.11832	100.0
368.12152	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	367.1397
Annotation	Drosopterin
Peak:m/z	Relative Intensity
57.03417	1.1
59.01379	9.3
68.65913	1.1
69.03456	1.5
70.54419	0.9
71.01370	5.8
71.51033	1.0
75.00865	1.9
83.01461	1.1
83.04988	2.6
85.02934	1.7
93.03422	0.9
95.04998	1.3
96.96002	3.7
97.02946	1.3
99.00877	21.0
107.05064	1.8
108.02142	3.0
109.02924	1.4
109.06641	0.9
113.02482	1.7
115.00344	2.9
121.02944	1.4
121.06532	1.1
122.03758	2.0
124.98781	1.6
134.03716	1.6
135.04472	1.3
136.01634	2.9
137.02469	5.4
140.01105	4.5
144.00655	2.2
156.00650	2.8
159.04549	1.2
161.04538	1.4
163.03973	3.3
164.04755	2.5
166.02675	1.7
175.04082	1.5
177.05531	5.9
177.62814	1.0
191.03471	1.0
192.04147	1.3
201.12758	1.2
203.10760	1.5
205.08655	4.3
205.12222	1.9
207.13876	2.3
217.12352	1.5
219.13875	1.2
223.13356	3.4
233.11897	1.5
235.13377	2.1
243.10249	1.5
249.14851	1.8
251.12860	2.0
259.13324	1.2
261.11298	3.7
263.12817	2.9
277.14450	2.3
278.11514	1.2
279.12341	10.0
289.10794	2.6
293.13837	2.1
305.13901	2.8
307.11868	30.4
308.12119	2.1
309.04028	1.3
331.11838	1.2
337.12943	3.5
349.12842	4.1
367.08539	6.1
367.13922	100.0
368.14294	11.0
378.20996	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	367.1032
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
51.81696	0.4
52.36657	0.4
55.30541	0.4
59.01376	5.5
64.31977	0.4
70.80414	1.0
71.01377	1.7
73.02966	0.6
79.75240	0.4
80.01258	0.4
80.07211	0.3
85.02964	0.7
101.02438	1.2
103.05546	0.5
105.07098	6.6
113.02445	0.7
133.06607	1.7
146.03734	1.8
151.07655	10.3
152.08025	0.8
159.04523	4.1
161.06075	100.0
162.06409	5.5
178.02701	1.4
187.03993	14.1
188.04340	1.1
205.05043	97.5
206.05388	7.0
307.17590	1.1
352.67294	0.4
367.10306	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	367.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	3.4
59.01587	1.1
59.91050	0.7
61.98743	1.6
61.99011	0.7
69.99920	3.0
76.17437	0.7
81.09422	0.6
81.38682	0.7
98.19992	1.2
102.27045	0.5
130.04108	1.4
135.00835	0.7
135.66664	0.6
136.01505	1.4
145.02794	1.8
147.04341	0.8
159.04315	0.9
160.01530	1.0
163.00368	4.4
183.58755	0.6
186.34602	0.8
188.01027	2.2
197.23163	0.8
205.95761	0.6
222.06659	2.3
237.05502	1.4
238.06277	1.5
245.69884	0.7
246.87076	0.6
249.05389	1.5
250.06105	1.4
265.05008	1.4
266.05762	1.8
277.04984	1.2
281.04614	1.3
285.20648	1.3
293.04544	9.8
294.05292	4.7
305.04553	15.4
305.08102	1.0
306.04993	1.5
306.08389	0.9
319.06216	1.3
326.04251	6.3
327.04556	1.0
333.07672	2.3
334.08151	1.4
349.10782	100.0
350.11102	14.2
367.11853	52.9
368.12228	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	366.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61346	0.2
59.01379	5.3
65.00262	0.2
66.92525	0.2
71.01376	1.4
71.49458	0.3
73.02915	0.2
75.00865	0.3
76.09114	0.2
85.02959	0.5
89.02438	0.8
101.02427	0.7
113.02423	0.4
116.05057	3.5
117.03460	0.2
117.05413	0.2
119.03529	0.2
122.06100	0.2
131.03784	0.2
132.04587	0.3
159.03258	0.3
159.04443	0.3
160.04030	100.0
161.04384	5.6
167.42793	0.2
191.05470	0.2
193.01350	0.2
201.63708	0.2
204.03006	4.1
205.01465	0.3
205.03220	0.2
249.06146	0.3
293.11758	0.2
324.16980	0.2
335.04199	0.3
338.51907	0.2
342.44556	0.2
362.77664	0.2
366.08292	17.5
366.13431	0.5
367.08508	1.7
367.11887	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2694
Annotation	3beta-Acetoxy-8beta,15-dihydroxy-ent-labda-13E-ene
Peak:m/z	Relative Intensity
59.01275	1.6
59.01530	0.9
61.98742	1.4
61.99008	0.8
71.01251	0.8
71.49650	0.7
96.95900	0.7
124.05212	0.7
137.05962	0.8
146.96474	0.9
159.04318	2.4
165.09073	1.5
179.10539	0.8
186.71477	0.6
203.03374	1.9
223.16360	0.6
266.50223	0.7
301.74979	0.7
303.26938	1.5
329.25018	0.8
335.69418	0.7
347.25876	100.0
348.26202	14.5
365.26938	27.2
366.27167	3.8
379.79581	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2694
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
61.70668	0.3
71.48999	0.5
76.92027	0.5
81.00925	0.4
85.06612	2.4
99.24316	0.3
133.04367	0.4
136.50801	0.4
173.46838	0.4
181.12238	0.4
199.13403	3.5
200.13655	0.4
203.65054	0.4
251.20198	0.6
261.18732	0.8
279.19641	15.1
280.20016	1.3
347.25824	5.5
348.26385	0.6
363.25452	0.9
365.26935	100.0
366.27298	14.3
366.32043	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2696
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
56.64521	0.3
59.01355	0.5
61.98804	0.3
68.28088	0.3
87.00163	0.3
91.79859	0.3
96.95972	0.3
98.20635	0.8
137.05998	1.0
151.07518	0.5
159.04451	0.7
165.09169	1.2
177.12846	0.4
179.10748	1.6
203.03616	0.4
228.90666	0.3
259.20575	0.6
277.18103	0.6
291.19763	0.5
303.26929	1.8
319.49042	0.3
329.24768	1.1
347.25900	100.0
348.26273	14.1
365.26959	32.1
365.31778	0.6
366.27292	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	365.2696
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
59.01368	0.6
61.98819	0.9
99.90162	0.3
135.36929	0.4
137.06067	0.8
146.96591	0.7
151.75616	0.3
153.05502	0.3
159.04405	0.5
165.09195	1.2
179.10779	0.7
181.15907	0.4
203.03474	0.6
221.15228	0.4
231.17538	0.7
232.30556	0.3
235.16988	0.3
246.81924	0.3
259.20566	0.8
261.14893	0.3
277.17905	0.3
291.19666	0.5
303.26968	2.0
329.24841	1.3
347.25916	100.0
348.26276	14.6
365.26981	22.9
366.27359	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	365.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34526	0.5
52.19754	0.7
55.01882	1.5
57.03457	1.1
58.00578	1.0
59.01379	100.0
60.01718	0.9
68.08877	0.7
69.83233	2.2
69.83654	1.1
70.54594	0.6
71.01383	27.1
72.99293	0.8
73.02950	11.9
83.01377	3.9
85.02950	10.4
87.00897	2.6
89.02447	19.5
95.01405	2.1
97.02938	1.0
99.00890	2.6
101.02443	26.4
105.60104	0.6
109.02962	0.6
111.00893	0.7
113.02451	12.4
119.03482	6.0
125.02510	0.9
130.04219	0.9
131.03514	1.1
143.03473	3.0
145.08719	1.2
147.04562	1.5
149.04633	0.8
159.03151	1.1
159.04492	8.9
159.10292	1.9
160.04782	0.9
161.04568	8.5
161.11812	6.7
171.04460	0.8
172.05374	0.8
173.06139	0.7
179.05646	2.7
181.03975	3.3
181.54369	0.7
203.03535	4.2
203.12895	0.9
203.53670	0.7
305.16058	12.0
306.16425	1.7
319.09634	3.7
323.17099	32.8
324.17508	2.5
365.18216	4.2
382.21118	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
59.50059	0.7
60.01697	1.3
61.95391	0.7
62.25322	0.7
64.92222	0.7
71.01376	1.9
71.23053	0.8
73.02950	0.9
75.72177	0.8
85.02957	1.2
85.65764	0.7
93.03471	0.9
113.02407	0.9
119.05015	0.9
119.83076	0.7
130.04224	3.1
149.06073	1.7
149.72446	0.8
152.51294	0.8
159.04500	14.9
160.04861	0.9
163.04015	1.4
191.18002	0.8
203.03450	11.8
321.07373	1.2
370.04935	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49974	0.5
59.01382	100.0
60.01717	1.4
67.10793	0.6
67.53512	0.5
70.51211	1.3
70.51546	0.7
71.01396	1.6
93.97599	0.5
101.02470	0.8
103.05515	0.8
113.02510	0.5
127.52402	0.6
130.04259	5.6
135.04616	1.0
136.05251	1.3
149.06075	3.0
159.04526	29.6
160.04935	1.0
161.02440	1.4
174.03223	1.0
203.03508	22.7
204.03816	1.1
233.04539	1.1
306.05487	1.1
321.07925	3.2
321.16180	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01717	1.5
71.01382	2.3
71.49990	1.6
77.21826	0.9
83.46465	0.9
85.02924	1.1
101.02444	1.3
102.91763	1.2
103.05514	1.4
109.02963	1.0
112.32059	1.0
119.05022	1.5
121.02966	2.9
130.04251	5.1
133.02927	2.7
135.04483	1.7
138.05626	1.2
145.02943	3.5
145.07713	7.0
146.03740	4.5
147.04530	13.4
149.06122	2.2
156.77553	1.2
159.04510	31.5
160.04912	1.3
161.02437	54.1
162.02774	2.4
163.07097	1.1
173.06021	3.3
174.03217	5.0
177.04303	2.7
188.08324	6.4
203.03500	18.7
204.03781	1.2
206.02194	4.0
208.13493	1.7
214.09801	2.4
233.05945	2.4
234.15013	1.2
249.05492	2.3
250.06380	9.6
251.06917	2.2
257.06116	1.9
259.07736	1.1
261.05453	1.6
265.08224	1.1
275.07141	2.8
277.05069	4.8
278.05728	2.0
288.04370	1.9
288.12442	2.9
289.05078	6.4
291.06860	1.4
303.06607	11.7
304.07199	2.4
305.04535	4.5
306.05322	25.7
306.13376	17.1
307.05728	3.0
319.06088	3.4
321.07648	91.9
322.07907	11.5
322.13995	4.3
366.15570	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	365.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55867	0.4
62.94036	0.4
65.95252	0.4
66.78369	0.4
69.48325	2.9
93.20055	0.4
93.33395	0.5
102.04762	1.2
103.05555	3.9
115.05541	0.8
130.04250	20.9
131.05013	1.8
149.06078	8.6
150.06459	0.6
159.04523	100.0
160.04851	6.5
188.13095	0.4
188.78835	0.4
203.03505	90.6
204.03851	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	365.0875
Annotation	Rubinaphthin A
Peak:m/z	Relative Intensity
57.03433	0.3
59.01381	7.1
71.01386	4.4
76.59000	0.5
85.02944	0.9
89.02457	4.7
95.01397	0.5
101.02435	3.0
102.04794	0.4
103.05540	2.6
113.02444	2.2
119.03535	1.8
119.27201	0.3
130.04243	10.3
131.05022	0.9
139.36412	0.4
149.06079	5.4
151.87538	0.3
157.12399	0.5
159.04510	100.0
160.04837	6.2
203.03499	41.6
203.12910	1.7
204.03821	3.4
253.19878	0.4
319.09793	0.5
365.08716	1.6
365.18188	5.8
366.18970	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.8
56.90145	0.4
57.03445	0.6
58.00583	1.0
59.01378	22.1
61.98817	1.4
69.03490	0.5
71.01380	12.1
71.05009	0.5
71.49812	0.7
72.99313	0.8
73.02942	3.8
74.58070	0.4
81.32529	0.4
82.00143	0.4
83.01375	2.6
85.02950	4.3
85.06565	1.0
86.00102	0.5
87.00881	0.5
89.02444	7.2
95.01398	0.8
99.00886	1.5
101.02436	9.6
113.02473	3.8
119.03492	1.9
123.62985	0.4
139.11284	2.5
157.12320	2.5
159.04475	2.4
160.04958	0.5
160.06367	1.0
161.04546	0.7
161.07188	2.0
165.87509	0.4
175.08769	1.0
185.11821	8.3
186.12190	0.7
189.06689	1.6
200.23680	0.5
202.02750	3.2
203.03383	1.4
203.08302	1.0
203.12906	7.0
215.24605	0.5
229.09790	0.7
234.01695	0.5
305.11398	2.7
311.09183	0.5
347.17374	0.6
365.18134	100.0
366.18500	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	365.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91986	0.4
55.01870	0.9
57.03440	0.8
58.00587	0.8
58.56540	0.5
59.01377	20.6
60.89626	0.5
65.81593	0.5
70.00724	2.1
71.01378	12.0
71.05012	0.6
72.99313	1.1
73.02949	3.3
75.00883	0.6
82.66948	0.5
83.01375	2.4
85.02936	4.8
86.00050	0.7
87.00835	0.8
89.02439	6.2
95.01382	0.9
97.02894	0.5
98.20594	0.5
99.00867	1.1
101.02441	9.9
102.02735	0.6
113.02441	4.4
119.03493	2.9
127.11297	1.1
130.04254	1.1
139.11305	0.7
149.70013	0.5
155.10724	0.7
157.12341	6.0
159.04478	4.4
161.04507	0.8
171.13901	0.7
181.81783	0.5
185.11772	2.4
199.13383	0.7
203.03517	2.5
203.12856	19.9
204.13191	1.3
245.13969	0.7
269.07748	0.7
323.16904	0.7
347.17221	0.9
365.18103	100.0
366.18503	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.7
59.01378	46.5
69.99306	2.0
69.99711	2.6
71.01376	22.9
72.80926	0.9
72.99312	4.6
73.02939	2.3
83.01383	2.0
85.02921	5.9
85.06572	1.5
87.00886	1.6
88.70947	0.8
89.02438	17.6
95.01379	1.8
101.02432	14.4
107.08662	2.7
108.04544	2.4
113.02444	8.6
119.03477	9.1
123.03243	3.0
130.60338	1.0
136.07640	4.6
136.21519	1.0
138.05611	15.0
139.11230	1.9
140.07208	4.5
141.07491	3.5
155.10728	1.9
159.56709	1.1
161.04533	1.3
183.10240	55.8
184.10564	3.0
193.33421	1.0
200.09267	1.0
201.09824	1.3
201.11345	13.2
202.11574	1.0
220.79570	0.9
227.08246	5.3
227.29919	1.0
227.32182	1.0
240.10165	1.0
242.10562	4.1
257.12933	31.9
258.13315	3.7
315.08777	2.1
330.68259	1.2
345.11005	2.8
363.16583	100.0
364.16901	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	364.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	14.9
61.98834	100.0
70.21966	13.9
71.01374	15.0
85.72922	6.7
96.67480	8.5
98.20554	10.1
121.02947	23.6
124.24199	7.2
130.04265	12.3
159.04489	83.5
176.30547	6.7
203.03503	78.1
260.91397	7.4
262.75351	7.0
305.38211	8.2
364.05157	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	365.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.4
65.00325	0.4
69.48540	2.0
102.04755	0.8
103.05543	3.8
115.05533	0.5
130.04253	19.8
130.75328	0.3
131.04984	2.0
147.04506	0.3
149.06088	8.9
155.43175	0.3
159.04520	100.0
160.04865	4.7
189.06596	0.6
203.03506	79.8
204.03839	4.5
294.41516	0.3
305.11349	0.6
316.81012	0.3
361.22766	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	17.3
70.33678	1.2
241.85394	0.4
246.75037	0.3
254.51660	0.4
258.85632	0.4
266.79141	0.4
276.69891	0.3
279.23270	100.0
280.23639	10.9
361.15268	8.1
361.23520	15.4
362.15350	1.0
362.23792	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	361.2387
Annotation	19,20-DiHDPA
Peak:m/z	Relative Intensity
55.52470	0.8
59.01372	1.8
68.64709	0.8
71.49441	1.0
77.91550	0.9
82.39854	0.8
82.56970	0.8
85.06584	1.0
86.78817	0.8
92.22020	0.9
106.04253	1.1
107.04997	1.2
119.05048	9.7
121.02946	8.0
133.06598	1.6
219.17555	2.4
231.17538	30.2
232.17853	2.4
247.17030	21.0
248.17390	2.5
281.37067	0.9
299.23801	46.5
300.24265	6.5
315.23459	3.4
317.24847	13.3
318.25220	2.0
361.23843	100.0
362.24213	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	361.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.06550	18.1
60.07324	20.1
71.49971	18.6
87.00959	16.3
120.72169	17.7
157.32271	15.1
263.20108	54.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.9889
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	9.6
60.01705	1.2
61.01813	0.4
61.98827	100.0
69.20264	1.8
69.20686	1.4
74.97507	0.4
78.53063	0.3
78.91885	0.4
94.51054	0.3
102.83569	0.3
121.31211	0.3
126.93471	0.3
153.99567	0.4
159.97346	1.0
161.98967	0.4
174.99306	1.0
175.99574	0.6
177.96832	0.5
178.98564	0.7
201.02571	1.0
203.02411	0.7
203.99963	3.8
204.02667	0.6
206.97485	0.8
217.00262	2.6
218.00621	3.1
219.00443	0.8
219.97745	44.3
220.97597	0.4
220.99722	2.9
276.99478	0.4
277.96994	1.0
277.99661	0.8
281.62610	0.4
319.97507	2.1
320.00842	1.2
361.98468	6.6
362.99149	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03324	0.8
52.06775	0.7
59.01378	100.0
65.98981	0.7
66.61623	0.6
69.60340	4.8
78.30633	0.8
96.95470	0.8
109.44012	0.8
117.03506	1.4
121.03690	0.7
127.93763	0.7
136.00287	0.9
166.78241	0.7
201.01920	40.3
202.02318	2.4
203.10622	0.8
252.86974	0.9
308.25589	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36959	2.1
59.01377	47.9
68.85806	2.6
69.78146	11.1
71.01372	7.4
73.02926	4.4
87.00844	2.8
89.02428	2.5
101.02425	4.4
106.06609	9.1
108.08147	4.2
113.02383	2.9
122.06133	4.4
124.07685	5.5
131.03824	2.4
134.06151	2.6
136.65312	2.1
138.05550	6.4
146.06110	6.8
150.05591	6.5
152.07169	6.8
160.11317	5.5
188.07155	3.5
188.14415	14.5
190.05009	3.1
196.06096	12.7
202.08684	7.8
203.09445	11.0
211.60968	2.4
213.06686	4.8
214.12416	3.1
217.11021	6.9
227.08255	19.8
228.08981	5.5
229.09731	8.0
229.13446	9.3
232.13377	29.0
238.26755	2.3
239.11850	3.0
241.09816	6.7
242.10539	13.4
247.08488	40.0
248.08672	2.7
255.11256	2.9
257.12927	63.3
258.11133	5.8
258.13516	3.4
261.09985	14.4
275.13995	16.0
276.12390	100.0
277.12747	7.6
301.11920	82.0
302.12186	9.9
319.12961	30.2
320.13010	3.6
363.11865	38.6
364.12360	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	361.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13037	0.6
59.01392	2.9
69.48911	2.8
69.49339	2.1
70.49426	0.5
71.01363	0.9
73.02940	3.4
75.89008	0.6
78.49382	0.6
85.02944	1.1
90.66161	0.7
101.02461	0.5
115.91402	0.6
132.23802	0.6
135.08173	1.3
137.09706	6.8
138.05614	8.4
139.05942	6.2
155.10777	100.0
156.11125	5.4
161.04411	0.5
199.09750	73.9
200.10161	3.3
302.50357	0.6
347.38062	0.7
361.15021	21.6
361.21994	1.1
362.15353	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	361.1505
Annotation	5-Deoxylamiol
Peak:m/z	Relative Intensity
55.01871	1.8
57.03445	1.4
59.01382	54.3
69.03452	2.2
69.58168	2.8
69.58578	5.8
71.01009	2.0
71.01386	26.4
72.99305	4.1
73.02954	3.1
83.01419	2.7
83.05028	1.3
85.02943	5.9
87.00868	2.1
87.24625	1.2
89.02447	20.4
95.01392	2.7
99.00904	1.9
101.02437	15.1
107.08665	15.9
113.02464	10.3
119.03513	9.6
119.08693	3.6
122.06121	6.2
135.04561	8.5
136.04831	4.0
136.07700	1.7
137.05016	3.0
140.07187	11.8
148.04095	1.6
149.06166	1.4
155.10791	5.1
161.04750	6.1
164.07121	2.7
178.03671	1.3
178.05125	4.2
179.03505	3.0
179.05544	2.0
180.03908	3.7
181.04030	2.6
181.08698	25.4
182.08182	2.8
186.97081	1.3
198.99950	2.9
199.09755	31.9
200.07204	1.9
200.10066	1.6
230.11852	3.8
240.09114	1.4
255.11328	3.2
259.79242	1.5
273.12656	2.1
281.09485	1.3
299.10303	1.2
317.11444	3.7
361.15042	100.0
362.15289	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	361.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.1
55.96211	0.5
57.03447	1.7
58.00590	1.0
59.01377	100.0
60.01715	1.2
61.33385	0.4
63.53825	0.4
69.03460	0.7
71.01378	21.8
72.99331	0.7
73.02950	6.5
75.00859	0.7
83.01380	3.1
84.86562	0.4
85.02950	7.9
89.02441	14.2
95.01411	0.8
95.42953	0.5
97.02980	0.8
98.20691	0.8
99.00884	1.6
101.02441	17.0
113.02444	9.4
118.14970	0.4
119.03501	5.2
119.33770	0.4
125.02403	0.6
125.61073	0.4
131.03534	0.6
135.04538	1.6
139.98514	0.4
141.09241	0.6
143.03525	1.6
153.42763	0.5
155.10793	1.0
157.83691	0.5
159.03018	0.8
161.04559	7.9
163.15378	0.5
179.05602	1.0
191.05905	0.5
199.09755	0.5
199.13466	0.9
228.98111	0.5
274.10757	1.0
301.16663	5.2
301.19974	0.8
317.14456	0.7
319.17596	41.0
319.20688	2.2
320.18005	4.4
361.18674	3.2
361.22601	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	361.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92846	0.6
55.01874	2.6
56.23742	0.6
57.03442	2.4
58.00592	1.1
59.01377	100.0
59.28019	0.6
60.01728	0.9
62.32035	0.5
65.38139	0.5
69.17164	0.6
70.17362	1.1
70.17764	1.4
71.01378	31.7
72.99323	1.3
73.02946	10.8
75.00871	3.1
83.01385	5.4
85.02946	16.6
86.14766	0.6
87.00887	1.5
89.02441	10.6
95.01403	2.7
97.02943	1.5
99.00912	4.0
101.02438	33.3
111.08179	1.2
113.02441	13.5
119.03455	2.9
125.02483	0.8
131.03484	0.9
141.09248	2.5
143.03517	1.8
149.04497	0.7
155.10788	0.9
157.12383	1.6
159.03003	2.2
161.04538	11.8
199.13405	1.2
203.28642	0.7
287.63760	0.7
301.16632	6.4
301.19843	0.8
319.17599	81.2
320.17920	7.7
361.18625	9.7
361.22040	1.0
361.26236	2.3
362.19092	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25266	0.2
57.03444	1.4
59.01386	1.0
61.98802	0.3
69.03454	0.3
69.56617	1.3
71.01379	0.2
85.02943	0.2
109.07404	0.2
124.85128	0.2
127.11259	0.6
127.19190	0.2
131.20053	0.2
135.04523	0.6
137.09729	0.3
139.11311	0.2
141.12854	0.3
155.14484	0.3
161.02419	0.4
169.03981	0.2
181.87848	0.2
185.02429	0.3
185.11792	0.5
199.13385	0.3
267.23257	0.7
275.65396	0.2
295.22769	0.4
311.22275	0.5
311.25858	1.3
313.23834	7.1
314.24109	0.8
341.26929	1.8
357.26483	1.3
359.28000	100.0
360.28351	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	360.13
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41391	0.4
59.01379	8.0
66.69044	0.4
68.09430	0.4
71.01389	0.9
73.02951	1.2
83.01421	0.4
85.02962	0.8
101.02415	1.0
123.03265	5.1
135.04562	0.9
136.04825	0.7
136.78313	0.5
137.09737	2.0
138.05618	100.0
139.05977	4.3
152.07199	0.8
155.10782	27.8
161.04565	0.9
179.03551	0.6
180.03906	0.6
181.08768	0.5
199.09767	21.2
254.24757	0.4
282.09802	2.4
285.91452	0.4
300.11005	1.5
347.35660	0.4
355.41434	0.4
361.15036	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	361.1504
Annotation	Gibboside
Peak:m/z	Relative Intensity
51.43008	0.6
59.01381	10.8
69.36287	4.0
69.36690	1.3
71.01385	2.6
73.02943	3.9
83.05076	0.6
83.83920	0.6
85.02960	1.9
86.90083	0.7
87.04514	2.6
89.02473	0.6
95.01394	0.7
97.08680	0.7
98.20638	0.9
101.02445	1.7
104.34272	0.6
111.04555	1.1
113.02464	3.5
121.03166	0.6
121.19864	0.5
135.08197	2.0
137.09735	12.8
144.48119	0.8
148.04037	1.4
150.91460	0.6
155.10785	100.0
156.11104	6.1
161.07195	1.7
169.12347	1.2
180.92345	0.6
181.08723	1.8
185.11606	0.6
192.03015	1.0
199.09760	96.8
200.10094	5.5
212.10884	0.9
213.11346	1.4
241.10838	5.7
255.11380	1.3
296.61743	0.5
301.20059	0.9
319.21146	1.5
361.15482	0.8
361.22311	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.22
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	25.1
84.46071	0.5
85.13604	0.6
86.58173	0.6
100.46479	0.6
133.57536	0.6
137.87488	0.7
151.32286	0.6
156.43164	0.8
172.53586	0.6
228.94133	0.7
265.59641	0.7
277.21710	100.0
278.22021	11.4
359.22040	17.5
360.22308	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	359.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.5
59.01365	0.3
59.47850	0.1
69.03448	0.5
69.15956	0.9
69.16383	0.6
70.20251	0.2
71.05011	0.2
73.02932	0.2
73.17594	0.1
85.02948	0.5
98.08504	0.1
111.08162	0.2
127.11295	0.5
135.04524	0.4
141.12874	0.4
155.10799	0.3
157.12361	0.2
175.29558	0.1
185.11794	0.5
253.21674	0.2
257.83792	0.2
267.23441	0.2
269.24786	0.2
271.22653	0.4
295.22852	0.5
311.22250	0.8
311.25955	1.1
312.26053	0.3
313.23843	6.5
314.24136	0.9
323.25735	0.3
325.23871	0.4
339.25339	0.2
341.26974	2.0
342.27631	0.2
357.26535	1.3
358.26785	0.2
359.28012	100.0
360.28360	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	359.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97134	0.2
57.03449	1.1
69.03450	0.5
85.02950	0.3
127.11298	0.4
137.09724	0.2
139.11288	0.4
141.12822	0.4
155.10768	0.3
185.11798	0.4
267.23447	0.3
269.24872	0.2
271.22720	0.4
295.22821	0.4
311.22110	0.6
311.25870	1.1
313.23825	7.2
314.24210	0.5
325.23926	0.2
339.25470	0.3
341.26965	1.7
357.26492	1.3
359.28000	100.0
360.28342	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	359.1536
Annotation	Lepidine C
Peak:m/z	Relative Intensity
58.26833	0.2
60.97499	0.4
61.98832	0.3
121.87428	0.2
136.55319	0.2
141.93532	0.2
153.01999	0.3
161.06387	1.1
166.67987	0.3
170.27339	0.2
217.07201	1.7
240.98895	0.3
246.34894	0.2
249.74400	0.3
261.04346	0.9
275.05960	0.8
277.07504	4.4
277.21719	0.5
278.07578	0.4
293.07031	0.4
343.12073	0.5
357.13748	2.9
358.14172	0.5
359.15353	100.0
360.15536	17.7
377.16333	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79469	1.8
57.01959	1.8
57.03431	1.9
58.00594	4.4
59.01369	5.1
64.88084	1.8
69.03488	2.1
70.17990	1.8
71.01409	2.4
71.07269	2.0
77.63834	1.8
83.04989	2.1
85.02947	2.6
87.00862	5.8
99.28598	2.1
103.03967	1.8
108.02116	1.9
109.15823	1.7
120.44769	1.7
122.03676	2.3
135.04558	9.3
147.03011	3.5
165.12866	3.8
169.02473	1.7
175.28012	1.7
179.07109	2.4
179.14418	2.5
180.07863	6.6
183.13927	5.7
189.12808	2.1
195.13930	3.9
205.12335	3.4
208.07431	3.4
211.13377	41.9
212.13745	3.5
213.14943	30.3
214.15250	2.8
223.09753	12.3
223.13370	10.1
233.11801	3.6
235.13237	3.9
239.12921	2.2
241.14442	100.0
242.14819	9.2
251.12823	25.5
253.14467	10.7
259.13339	11.3
260.13156	2.2
269.13934	4.0
277.14380	10.7
296.58365	2.0
299.09232	2.0
305.13870	5.8
314.07849	3.1
323.14807	2.4
329.10211	7.9
344.12659	11.1
359.08646	3.0
359.14896	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	359.098
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78929	0.7
55.01869	3.2
57.03444	1.3
59.01367	10.1
61.78592	0.8
69.03452	81.8
70.03780	2.7
71.01372	3.9
71.50328	1.2
72.99307	1.2
74.02441	0.9
74.96024	0.7
79.01884	3.8
83.04986	1.1
85.02946	4.0
89.02425	0.8
91.91042	0.7
93.03451	2.0
95.01378	3.0
95.04964	1.1
97.02937	16.9
99.00876	19.4
109.02942	3.7
111.08118	3.9
113.02433	1.0
121.02919	3.6
121.06577	1.6
123.00848	1.7
123.03271	4.9
123.04514	5.0
132.04497	1.4
133.02936	0.9
134.03700	2.8
135.04518	44.8
136.04813	1.7
137.02397	0.9
138.05598	100.0
141.01935	7.6
148.05255	1.7
149.02518	0.8
149.06049	11.8
150.06482	1.0
153.09171	2.2
161.04550	0.8
161.99539	0.9
173.08127	2.6
176.03978	3.6
179.03494	21.6
180.03822	1.9
185.00894	48.6
186.01242	1.7
203.01799	0.8
237.03897	0.9
243.08943	0.8
271.09689	9.1
282.09787	2.7
312.61334	0.8
315.08719	3.3
317.19400	1.3
317.85687	0.8
329.10193	2.6
344.12524	1.8
359.10281	6.6
359.14969	1.9
359.20514	2.5
360.10651	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95359	0.9
57.03447	1.8
59.01379	100.0
60.01719	1.2
60.11160	0.9
69.66293	5.8
71.01373	7.0
73.02931	3.0
83.01378	1.5
85.02946	11.4
89.02441	1.7
101.02427	3.0
107.62810	1.2
109.02935	2.9
113.02435	3.7
119.05006	1.9
123.00844	1.2
124.79670	1.0
135.04507	6.7
137.02420	3.8
137.06075	56.4
138.06430	2.7
149.06046	2.5
152.03622	1.7
152.04753	8.4
153.05531	2.1
159.02888	1.2
161.04552	11.1
179.03406	2.2
181.84567	1.2
191.01964	1.2
197.04533	3.2
215.07368	1.1
238.03400	1.1
242.05750	1.4
250.08447	1.2
271.09705	3.4
279.54996	1.1
359.10101	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	359.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08735	0.6
57.03426	0.7
58.91048	0.6
59.01378	2.6
66.72103	0.6
66.77181	0.6
67.08366	0.6
69.78489	2.3
71.01384	1.6
72.00324	0.6
72.16738	0.6
72.85775	0.7
73.02943	0.9
74.02467	0.7
80.78541	0.6
81.02988	0.6
81.03463	0.9
97.06582	0.6
107.05040	1.5
108.02165	2.5
121.02938	1.3
121.06588	2.3
122.03741	1.7
123.04523	3.8
124.37847	0.7
130.08716	0.7
135.04518	29.4
135.82495	0.7
136.04872	1.1
137.02441	1.2
149.02484	1.1
149.06079	9.5
150.03249	8.2
151.03821	0.8
163.04007	2.6
164.04781	1.2
164.14017	0.7
165.05585	3.2
166.06351	0.7
169.37552	0.7
171.10284	2.7
179.03534	1.2
179.07132	23.7
180.07912	62.9
181.08305	4.0
182.05840	1.9
192.07855	1.0
194.05829	4.5
194.07489	0.6
194.09505	3.8
195.10283	6.2
208.07397	16.8
209.07639	1.8
212.05029	0.7
212.06885	3.0
222.08914	1.2
223.09749	100.0
224.10112	6.4
226.08467	6.9
235.09698	1.4
269.08182	0.8
272.17685	1.4
297.18430	0.7
299.09143	0.7
300.09946	1.9
311.09338	1.3
315.12454	1.6
316.12939	1.6
317.19778	1.8
326.11606	1.7
331.15518	3.9
341.13840	1.5
359.14960	8.9
359.20505	1.7
359.24429	2.6
360.15225	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.3
57.03444	14.0
59.01373	7.6
61.98842	0.6
65.05973	0.6
66.73551	0.6
70.76989	0.7
70.77326	1.4
71.01380	2.5
72.99297	2.7
75.00863	1.0
83.00475	0.6
83.01390	2.1
84.02163	3.4
85.02944	100.0
86.03284	2.9
87.00855	1.0
89.02445	1.1
91.01899	1.0
101.02479	1.1
103.00372	1.4
108.02131	0.9
111.00854	3.7
115.00390	1.1
123.04533	3.1
129.01952	9.4
133.01367	0.9
135.04535	4.8
147.02974	12.8
149.05843	0.7
167.03456	4.1
173.00906	2.1
179.03510	1.7
191.01955	18.7
192.02264	0.7
197.04533	2.4
209.03023	11.2
230.59282	0.8
271.09714	1.5
359.06183	1.6
359.12604	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0771
Annotation	Rosmarinate
Peak:m/z	Relative Intensity
59.01371	2.7
63.86325	0.4
69.38919	2.9
71.01395	4.5
72.99306	1.9
85.02962	0.8
93.03460	1.7
95.05025	0.8
96.28999	0.4
107.05023	2.2
107.51819	0.5
108.00448	0.5
108.02172	16.5
109.02950	49.3
110.03264	1.3
115.00365	6.2
117.03442	1.0
119.05029	1.7
121.02946	7.4
121.06576	1.5
122.03732	3.0
123.04528	7.5
124.01672	0.9
131.04994	0.9
133.01453	0.9
133.02953	4.3
133.06606	0.6
134.03746	4.4
135.04521	100.0
136.04855	4.4
137.02440	1.2
137.06052	2.4
145.02960	0.9
146.03746	1.9
147.04485	2.9
148.05301	4.3
149.06073	31.2
150.03229	0.7
150.06386	1.8
151.04004	0.9
159.04541	1.0
161.02443	1.1
161.06065	18.0
162.06827	2.1
163.03999	0.7
163.07643	2.1
172.05283	0.8
175.04007	1.7
177.05576	1.4
179.03497	47.8
180.03818	2.5
185.06062	1.4
193.05037	1.3
196.05257	0.6
199.04193	0.6
213.05505	4.0
214.06105	0.9
225.05484	1.3
226.06314	2.0
237.05804	0.7
241.05032	6.3
242.05838	50.4
243.06517	12.9
244.07013	0.6
251.06998	0.5
253.08755	1.4
255.06627	3.2
256.07089	0.7
269.08157	1.7
271.09732	87.4
272.10056	7.9
315.08624	1.9
359.07681	12.0
360.07974	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59892	0.3
61.98834	0.5
66.50250	0.2
70.97333	0.4
71.01385	0.3
85.02946	0.4
93.03464	4.9
94.03806	0.3
121.02968	2.9
139.04021	4.0
149.02446	100.0
150.02783	4.9
156.13046	0.2
161.85660	0.2
189.93089	0.4
303.06595	0.9
331.06110	3.0
332.06604	0.3
359.05597	2.0
359.12112	0.3
359.27875	0.3
360.05734	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72838	1.0
55.01862	2.4
57.03446	12.6
59.01382	12.3
61.40888	1.1
61.67451	0.9
64.37252	1.1
65.29442	1.1
65.51556	1.0
69.80210	1.0
71.01375	8.0
71.12129	1.7
72.99304	19.1
73.02953	1.0
74.02534	1.4
75.00861	2.0
77.89237	1.1
83.01371	2.0
83.82518	1.0
84.02164	2.2
85.02948	100.0
86.03266	3.0
87.00862	2.0
89.02450	2.3
90.88699	0.9
91.01900	1.7
101.02430	2.2
103.00391	1.2
108.02155	4.7
109.02951	12.1
111.00871	3.4
115.00355	2.4
116.20812	1.0
121.02962	2.4
123.00872	2.2
123.04530	7.8
124.88539	1.0
129.01952	10.8
133.02892	1.2
134.03764	1.3
135.04523	47.9
136.04881	2.1
137.02434	4.6
137.06102	1.3
138.03149	1.0
147.02994	14.3
148.05228	1.2
149.06108	6.5
152.04803	5.1
153.05583	2.4
161.06082	3.7
161.81061	1.0
167.03473	4.9
168.83904	1.1
173.00952	2.0
176.04086	1.9
179.03508	19.7
182.02171	1.6
191.01955	20.8
197.04552	28.0
209.03012	12.0
242.05849	10.5
243.06470	4.3
271.09753	18.8
299.05573	1.5
359.05817	1.4
359.09946	14.0
360.09848	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.265
Annotation	13,14-dihydro Prostaglandin F1alpha
Peak:m/z	Relative Intensity
51.31901	0.6
56.96898	0.6
57.03436	1.8
59.01371	1.5
60.33534	0.7
69.46694	4.4
83.01376	0.7
83.59718	0.6
87.00867	0.8
121.02956	5.8
125.09732	1.1
135.04527	0.7
141.12918	0.6
151.00380	1.9
159.04195	0.8
176.67407	0.7
185.11874	3.3
193.08618	1.3
194.09113	1.3
195.02998	1.5
195.06587	0.9
195.09297	1.4
200.02568	0.7
225.56955	0.6
235.51892	0.6
245.79747	0.6
287.38596	0.6
296.29819	0.6
297.24365	2.7
309.24420	2.4
325.23770	1.5
327.25403	17.8
328.25797	1.6
339.25446	3.7
340.25665	0.8
355.24976	1.1
357.06161	1.4
357.26474	100.0
358.26859	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	358.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	19.5
61.98822	8.8
62.39365	6.2
70.36989	14.5
71.01355	8.7
84.04548	21.6
85.02941	13.5
96.53338	7.6
103.82481	6.9
109.26556	6.6
120.01244	39.2
139.11267	17.1
146.03297	8.5
161.02379	8.3
162.02316	100.0
185.09941	7.3
226.43883	7.9
358.26862	24.3
359.05533	9.5
359.27936	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0146
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21399	0.4
58.49079	0.4
59.01379	84.2
59.84425	0.4
60.01711	1.1
61.98829	2.0
69.32565	3.2
72.99323	1.2
73.02946	0.6
80.31878	0.4
90.97150	1.2
93.22694	0.4
96.63139	0.4
99.92618	0.4
118.96700	0.6
121.34318	0.5
127.73087	0.5
132.98218	1.8
135.17624	0.4
157.03578	2.6
159.01503	0.7
165.64290	0.5
174.99239	19.8
201.02538	23.8
202.02701	2.1
217.00285	100.0
217.98317	0.5
218.00633	2.8
244.89960	0.4
266.97635	0.4
274.99640	1.8
317.00766	2.7
318.00787	0.5
359.01566	6.7
360.01978	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1188
Annotation	Synargentolide D
Peak:m/z	Relative Intensity
51.19664	1.0
55.01860	2.4
58.32505	1.3
59.01376	97.8
60.01718	1.8
69.03449	2.6
69.66396	7.9
71.01378	50.8
72.99323	1.9
73.02943	64.5
74.02478	2.1
78.04409	1.1
83.01379	15.0
85.02943	8.2
87.00861	1.6
89.02444	21.7
95.01414	2.2
97.02953	2.0
98.02467	2.0
99.00930	1.2
101.02438	46.8
102.02801	2.1
107.05016	2.7
113.02431	19.5
117.47302	1.1
119.03485	9.8
123.04504	21.5
125.02419	2.3
131.03499	2.5
134.03760	1.8
135.04518	100.0
136.04845	4.5
143.03424	1.9
153.05571	23.5
154.05943	1.4
161.04523	4.7
190.03770	1.2
195.28061	1.3
220.31784	1.6
269.11435	1.9
297.09805	36.0
298.10056	2.7
315.10837	80.6
316.11069	7.6
338.02762	1.2
357.11923	35.2
358.12222	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	357.2645
Annotation	13,14-dihydro Prostaglandin F1alpha
Peak:m/z	Relative Intensity
57.03441	1.6
59.01372	1.6
59.34214	0.2
69.46716	1.8
71.05003	0.4
93.07102	0.7
97.06587	0.4
121.02962	7.9
123.08171	0.5
125.09743	2.1
127.11325	0.3
141.12805	0.4
145.85716	0.2
157.33032	0.2
171.10214	0.7
181.06612	1.1
183.13902	0.5
185.11821	0.8
195.02953	0.2
197.15504	0.4
199.13374	0.4
225.05580	0.7
227.16530	2.8
228.16908	0.2
242.11528	0.2
267.23312	0.8
297.24377	1.1
298.24680	0.2
309.24356	1.4
311.22333	3.1
311.25882	0.4
312.22446	0.5
313.07227	0.5
321.24289	0.5
325.23816	0.5
327.25397	9.5
328.25720	1.2
335.20496	0.2
339.25403	2.4
340.25699	0.3
355.24921	0.8
357.06284	1.4
357.26456	100.0
358.26807	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	357.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.5
59.01381	13.3
62.07333	0.8
69.03459	100.0
69.26382	8.2
70.03793	3.0
71.01403	4.7
72.99310	1.8
79.01884	4.3
83.05016	1.0
85.02956	2.5
89.02477	0.9
93.03468	1.6
95.01407	3.9
95.15144	1.0
97.02955	19.5
99.00885	28.9
103.05547	1.0
109.02975	3.6
118.04253	7.9
119.05083	1.9
123.00941	1.6
123.04546	5.5
124.01673	5.4
127.07676	6.4
133.02980	1.2
134.03735	2.5
135.04524	3.0
136.01585	1.4
137.02496	2.3
141.01953	11.2
145.02959	1.9
147.04501	6.7
147.05475	0.8
150.73175	0.8
151.04041	2.2
152.04736	1.2
153.04305	1.7
153.05579	35.5
154.05942	1.5
159.04546	1.3
161.02362	1.7
162.03252	5.2
163.04037	2.1
171.06636	2.7
177.01900	5.6
177.05495	1.3
179.03560	3.1
185.00919	68.2
186.01369	1.6
189.01939	2.2
190.02724	14.5
191.03511	14.7
192.03838	1.3
194.05785	1.2
203.01944	2.8
203.03558	2.1
222.01643	6.9
235.02455	5.0
252.04205	1.2
253.05107	5.8
269.08224	2.8
297.04190	1.7
313.07196	31.1
313.10880	1.8
314.07660	3.1
326.19562	1.0
327.08673	1.3
342.11066	1.9
355.01797	1.0
357.06342	12.6
357.12714	1.7
358.06418	1.8
362.30609	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.8
61.16520	0.3
69.03459	0.6
70.24813	1.3
71.01371	0.5
73.02942	0.4
74.53445	0.3
86.46851	0.3
92.24899	0.3
93.03494	0.4
95.05022	0.9
99.00901	0.4
101.02457	0.4
109.02973	0.8
122.03739	0.7
123.04520	78.7
124.04834	3.2
135.04512	1.1
151.03979	1.7
153.05568	100.0
154.05901	4.8
157.34702	0.3
185.00922	0.5
198.31856	0.4
236.31380	0.3
269.08130	0.8
286.83835	0.3
297.09659	0.4
308.87738	0.3
315.10764	0.7
341.07837	0.4
348.49564	0.4
357.11838	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	356.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39068	5.2
51.60511	6.1
53.93996	5.4
61.98831	100.0
70.46295	18.4
74.21345	5.1
84.07121	5.0
93.03451	6.4
98.20509	6.9
117.03485	5.3
121.02927	12.3
124.01646	7.1
136.60938	5.4
162.02687	5.8
193.08691	17.8
194.09023	22.5
248.93950	5.7
251.57164	5.6
262.08093	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	356.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98813	100.0
62.14111	35.8
75.82999	38.0
80.91486	45.3
115.00376	52.0
121.02968	58.4
126.05953	39.6
128.64197	38.0
154.59424	48.8
294.81531	45.0
344.16183	41.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.0986
Annotation	cyclo-Dopa 5-O-glucoside
Peak:m/z	Relative Intensity
59.01380	1.9
61.98839	0.5
69.03462	1.7
71.01386	1.9
71.29924	1.0
81.03477	0.6
83.05034	1.7
85.02958	1.2
86.75212	0.5
91.52388	0.5
99.00881	0.8
104.05027	0.5
106.06627	100.0
107.06963	4.0
110.77883	0.5
113.02469	1.6
115.00397	0.7
118.06635	3.1
120.08187	0.7
121.02953	0.6
123.04548	0.5
135.04553	1.0
139.07692	0.7
145.03023	0.5
146.06129	1.2
149.02428	0.6
150.05603	75.9
151.05997	3.9
157.08684	1.9
162.05603	0.6
164.07158	13.0
175.02495	0.7
177.01923	1.2
179.03461	0.6
185.00916	1.0
192.06662	9.1
193.06931	0.9
194.04581	16.3
195.02975	2.6
195.04799	0.8
199.09738	0.8
202.64259	0.5
236.05643	1.4
294.58368	0.5
296.07837	1.9
303.39865	0.6
356.09830	5.1
356.21072	0.9
357.08322	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	356.1712
Annotation	3'-Acetylindicine N-oxide
Peak:m/z	Relative Intensity
54.64489	0.8
57.03442	0.7
59.01381	1.6
65.39030	0.7
70.51341	1.4
70.51693	1.3
71.01376	0.7
84.04546	1.6
85.02961	1.1
102.05612	68.3
103.05940	1.1
106.00229	0.6
109.02978	0.8
111.08166	1.1
128.03545	73.5
129.03889	1.7
137.39845	0.6
137.92316	0.7
146.04597	100.0
147.04907	2.7
153.01962	1.0
162.02275	1.1
165.12851	5.6
169.12294	0.9
183.13914	9.7
203.42752	0.6
209.11833	0.9
227.12895	13.9
243.11475	0.8
307.51410	0.7
312.18103	1.4
315.18491	0.7
338.15945	0.8
339.17313	0.7
339.25253	0.8
356.17120	48.7
356.25110	3.3
357.17511	5.3
357.26382	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.228
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
50.93595	0.8
52.12954	0.9
59.01390	1.5
63.85845	0.8
66.65488	0.8
69.78558	4.9
70.90409	0.9
85.02944	3.3
101.06048	1.5
109.02963	1.7
122.03749	8.8
127.07674	1.6
135.04532	27.5
136.01611	1.2
136.04834	1.2
147.08188	3.4
149.06039	1.8
149.09709	8.2
151.07646	2.5
154.02740	2.3
161.09720	9.8
163.07632	3.0
163.11293	56.1
164.08409	18.1
164.11539	4.5
165.09203	10.3
177.09210	77.0
178.09964	23.7
179.10770	90.1
180.11122	5.8
183.10233	2.8
191.10777	14.8
192.11124	1.1
193.08685	9.0
194.08965	1.0
216.94861	0.9
221.74745	0.9
279.13867	1.4
280.14716	3.4
281.01031	1.2
298.15741	58.5
299.16058	6.4
307.16986	1.6
321.18637	2.1
322.19373	1.7
331.71884	1.0
337.21719	55.6
338.22021	6.8
340.20432	81.7
341.20728	10.4
355.22794	100.0
356.23123	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2487
Annotation	13,14-dihydro-PGF2alpha
Peak:m/z	Relative Intensity
54.16705	0.7
55.01870	1.4
57.03444	22.4
59.01352	1.2
59.01886	0.8
68.49815	0.9
69.03448	1.1
69.21776	7.4
71.01388	0.8
71.05017	37.6
83.05027	5.7
85.02991	0.8
85.06583	51.4
86.06926	1.7
95.05007	2.2
97.06592	2.7
109.06577	2.9
113.09731	4.1
115.07706	1.2
121.06573	1.1
123.08165	1.8
125.09721	7.0
127.07623	1.7
129.09172	2.1
137.09691	1.2
139.11255	1.1
143.10757	23.0
144.11079	1.1
153.12837	23.6
154.97617	0.7
155.10735	1.7
165.12816	1.8
171.13914	6.7
181.12308	1.5
183.13939	1.8
195.13892	1.0
208.92856	0.8
229.18071	5.2
235.20645	11.1
236.21002	1.3
241.18106	0.9
253.21680	1.6
277.21811	1.0
293.24719	3.5
306.61038	0.8
311.25891	59.5
312.26169	5.7
355.08115	1.9
355.24863	100.0
356.25238	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	355.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	11.6
65.00314	1.1
65.43346	0.3
70.45305	0.7
70.45673	0.8
83.01381	0.7
93.03464	4.5
96.19151	0.4
107.08651	1.0
109.06585	2.8
117.03461	4.3
123.04547	2.2
124.01657	20.9
125.02547	1.9
125.09720	11.4
126.10036	0.4
133.02962	1.3
133.06602	1.2
135.72510	0.4
137.02415	0.6
138.03311	0.4
149.09691	3.8
150.03186	1.2
151.07643	2.5
157.83501	0.3
161.02434	3.3
176.01097	0.5
193.08682	100.0
194.09013	6.0
217.01392	0.4
217.08719	0.5
219.06580	3.0
235.09735	1.2
260.85352	0.3
261.07639	6.5
262.08020	0.6
268.46680	0.3
309.11215	0.6
327.12271	1.4
355.11819	9.3
356.12183	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	353.2119
Annotation	Guayulin B
Peak:m/z	Relative Intensity
59.01361	0.3
70.97681	0.8
79.91478	0.2
79.95742	0.8
95.95272	0.3
96.96010	6.3
104.66711	0.3
122.97580	0.4
147.08134	0.7
162.06657	0.3
163.11285	100.0
164.11610	6.4
177.09204	76.3
178.09547	5.9
185.63486	0.3
190.09979	0.6
191.05640	1.1
194.05888	0.3
211.45027	0.3
214.86276	0.3
222.08968	0.9
353.21179	96.2
354.21542	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	354.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52853	1.1
59.01371	5.6
69.29904	11.8
70.29125	1.6
71.01392	2.5
75.56387	1.3
85.02946	3.0
89.12633	1.6
95.05041	1.3
99.00887	2.4
101.02406	1.6
102.05606	73.2
103.05939	1.5
118.42044	1.5
127.05106	1.6
128.03540	82.1
130.08694	1.2
135.04509	1.5
136.07664	2.0
145.06180	9.3
146.04593	100.0
151.03967	1.8
163.11295	2.7
181.12334	3.5
191.05585	2.7
192.05824	2.9
225.11298	25.6
231.86591	1.6
297.12360	2.9
319.02231	1.6
336.14493	2.5
354.10880	5.1
354.15543	73.7
355.12128	2.1
355.15948	5.3
355.24954	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	355.1185
Annotation	Monotesone A
Peak:m/z	Relative Intensity
57.03448	12.6
63.02387	0.5
63.40203	0.2
64.73153	0.2
65.00319	0.6
71.26836	0.3
81.03433	0.3
83.01384	2.2
107.01373	1.0
117.66156	0.2
119.05042	0.2
121.02970	0.6
122.21284	0.2
125.02446	100.0
126.02777	3.5
139.20355	0.2
151.00360	1.9
153.01909	0.4
191.10779	1.0
193.08652	0.5
201.09229	0.5
229.08757	0.3
309.11298	0.4
311.09189	1.0
327.12338	1.5
355.08096	0.4
355.11877	6.3
355.24841	1.0
356.12268	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	353.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06839	0.4
56.61125	0.4
57.03439	0.6
59.01368	1.9
71.01378	0.6
71.05032	1.4
71.51508	0.5
72.55492	0.5
73.02959	0.7
74.46743	0.4
77.14622	0.5
85.02956	1.8
85.06584	0.7
87.04504	2.3
90.65170	0.4
93.03437	0.7
96.95980	0.6
111.08186	0.7
117.06134	0.4
133.97198	0.5
135.04523	1.1
139.11234	0.6
151.00349	0.6
151.11272	0.6
169.12343	0.8
173.04568	0.9
179.03497	0.7
191.05620	9.8
209.06073	1.6
214.02708	19.7
214.40448	0.5
215.03180	1.2
223.07561	2.9
225.05580	1.5
227.03468	2.6
239.07121	1.8
240.07837	0.7
246.01697	14.7
246.04161	1.1
247.02074	1.0
251.20213	0.7
253.05055	13.3
254.05779	6.4
255.06192	0.7
257.69797	0.5
267.06604	7.3
268.07358	4.7
269.08057	1.9
293.04483	1.3
295.06146	10.5
295.09424	0.5
296.06375	0.8
317.07910	0.6
323.09207	0.7
335.09186	3.5
353.10159	17.2
353.13965	100.0
353.22943	6.4
354.10544	1.8
354.14316	12.9
354.23587	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	353.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06274	0.8
57.03421	1.0
59.01368	3.9
69.33121	0.7
71.01375	1.4
71.20081	1.8
73.02940	1.7
85.02978	1.7
93.03461	0.9
127.87041	3.0
141.88571	1.0
151.74089	0.9
154.66812	0.7
157.86227	1.2
159.86003	2.5
179.03435	1.0
179.76563	0.7
185.87596	0.8
191.05608	15.2
207.79095	0.8
214.02722	29.0
215.02988	2.0
223.07668	2.1
225.05490	1.1
227.03529	1.5
246.01715	22.9
247.01947	1.6
253.04976	6.0
254.05791	4.9
267.06580	5.1
268.07321	3.0
269.08139	3.7
282.05154	1.0
293.04642	3.9
314.04221	1.5
323.09326	6.4
335.09146	1.3
353.10159	16.5
353.13962	100.0
353.23022	8.7
353.99063	2.4
354.10422	2.2
354.14264	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	353.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16489	0.3
59.01358	0.5
63.02410	0.3
65.00323	1.3
70.36721	0.9
72.38510	0.3
83.01407	0.2
96.96004	0.8
109.02941	0.5
109.06564	0.7
109.25502	0.2
125.02425	0.8
131.08681	0.4
132.02176	0.6
133.02959	23.6
133.06612	3.0
133.49495	0.3
134.03294	0.6
135.00854	0.4
135.04506	0.3
136.32150	0.3
137.02397	0.3
148.01642	0.4
149.02351	0.4
151.07657	1.0
161.02457	1.3
163.00403	1.9
163.03987	0.3
172.76595	0.2
173.02412	0.4
173.04541	0.3
174.03214	0.4
175.00351	0.3
175.04007	2.3
175.07588	0.8
176.01152	1.6
176.04477	0.3
187.03976	0.3
189.01895	0.3
189.09216	0.3
191.05583	2.6
197.05959	0.3
199.04037	1.4
201.01866	1.3
211.03976	0.4
217.08704	0.8
219.06631	3.1
220.06950	0.3
225.05486	0.8
227.03427	0.7
253.05040	1.2
255.03004	0.8
262.19000	0.2
265.04877	0.6
266.05908	0.3
267.02884	0.5
267.10202	0.5
269.04532	0.7
281.04474	0.3
284.03299	2.5
297.04056	10.3
298.04630	1.9
309.04037	10.1
309.11316	0.4
310.04593	2.1
325.10822	0.5
337.07001	0.3
351.08719	0.4
353.10291	100.0
354.10645	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	353.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68076	0.5
61.28645	0.6
61.49988	0.6
62.26401	0.6
63.02395	0.7
65.00308	2.5
67.90417	0.6
70.34602	1.2
70.34963	1.5
73.26341	0.5
74.33659	0.5
77.84901	0.7
86.18770	0.6
94.92451	0.6
108.02180	1.1
109.02903	0.7
109.06570	3.3
123.04491	0.8
131.08667	0.7
133.02959	7.6
133.06592	9.1
136.01680	1.1
147.04480	0.8
147.22382	0.7
148.01610	1.4
149.02499	3.1
151.04053	0.8
151.07640	6.6
152.07906	0.7
161.02441	0.7
163.00391	1.1
175.03972	3.7
175.07582	2.3
176.01108	3.6
177.01840	0.7
198.03207	0.8
199.04036	3.4
201.01898	3.3
208.71556	0.6
216.04301	1.3
219.06638	11.0
240.04309	2.4
249.05193	0.6
267.10233	2.4
281.04349	0.7
281.11755	0.8
283.09509	0.7
285.11349	2.3
297.04028	1.4
298.04779	1.9
309.04013	1.8
309.11270	2.3
325.10797	0.8
329.23401	0.6
353.10275	100.0
354.10599	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	353.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.6
63.02395	0.8
65.00326	0.6
67.03897	0.2
70.44794	0.5
70.45155	0.7
83.01357	0.3
83.05030	1.7
88.13995	0.3
97.06606	0.3
107.01390	0.8
117.03461	0.4
139.11292	11.2
140.11623	0.4
159.04544	0.6
176.01125	0.3
183.52124	0.3
191.05565	1.2
201.01912	1.7
202.02515	0.4
209.06119	0.4
214.02681	1.5
217.08766	0.5
221.06102	0.3
225.05457	0.5
227.03453	0.4
243.17685	0.3
246.01726	0.9
249.05716	0.4
250.06300	0.6
251.07120	0.6
253.05031	2.2
266.05768	0.4
267.06619	0.5
281.04538	2.7
282.05280	1.2
283.05856	0.3
293.04532	13.8
294.05176	4.3
295.06076	10.4
295.09473	0.3
296.06369	0.7
305.04532	1.2
317.08047	0.4
319.06042	0.9
320.06808	1.0
335.09229	3.2
336.09720	0.5
337.06845	0.3
353.10251	100.0
353.13928	10.0
354.10587	11.7
354.14325	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	353.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00317	1.9
67.01864	0.4
69.25915	4.0
85.14941	0.5
100.76611	0.4
102.09177	0.4
107.05003	0.6
107.08672	0.6
107.35110	0.4
108.02172	2.2
109.02944	1.4
109.06607	2.8
121.02937	1.1
123.04547	0.9
133.02959	7.6
133.06584	3.2
133.16614	0.5
135.00885	0.7
135.04558	0.5
136.01651	3.7
147.00851	0.7
148.01659	1.5
148.93698	0.4
149.02448	4.8
149.09856	0.4
151.03964	0.5
151.07629	7.6
152.07930	0.5
157.02959	0.6
161.02405	1.0
163.00388	2.3
163.07576	0.9
164.01143	1.7
171.04460	0.7
173.02271	0.6
175.00407	0.8
175.04010	5.5
175.07608	1.0
177.01811	0.4
177.09210	0.8
189.01888	0.8
191.05626	0.5
198.03285	0.8
199.04005	4.6
201.01952	3.6
211.03979	0.6
212.04811	1.1
213.05620	0.5
216.04198	1.1
219.06711	0.7
225.05560	1.1
226.06342	2.3
227.03218	0.5
229.04922	0.6
237.12903	0.6
240.04179	2.1
241.04959	0.7
243.03033	0.8
253.05217	0.6
265.08392	0.6
265.12448	0.6
266.05942	0.5
267.03046	1.5
267.10196	1.9
269.04623	1.1
270.05283	0.9
281.11972	0.9
284.03186	3.5
285.11377	4.5
297.04034	3.8
298.04834	5.0
309.03973	1.5
309.11282	1.6
325.10846	1.0
330.03766	1.0
353.10281	100.0
354.10641	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	353.103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01350	1.3
63.02380	1.7
65.00305	1.5
69.52473	2.1
69.85976	0.4
78.62437	0.4
85.02934	0.6
91.01884	1.2
97.06550	0.4
99.04494	0.6
107.01404	1.9
131.05009	0.6
133.02946	1.1
133.50191	0.4
135.00847	0.6
135.04514	0.9
140.09879	0.4
143.04984	0.6
148.01630	0.5
149.06013	0.7
151.00354	1.6
157.06471	0.6
158.03712	0.4
159.04506	2.6
161.06061	1.1
167.05025	0.4
173.04630	0.4
173.06061	1.6
176.01111	1.1
177.01904	0.7
179.03484	1.4
181.06544	0.8
183.04509	0.7
183.08034	0.7
185.06044	1.8
191.05605	5.8
197.06062	0.7
207.08173	1.0
208.05388	0.5
209.06068	1.3
214.02759	1.2
215.03458	0.4
222.06837	0.6
224.04736	0.7
225.05618	0.6
226.06122	0.5
227.07155	0.8
239.07297	0.7
245.39977	0.4
246.01515	0.8
247.07573	0.6
249.05649	0.4
251.06906	0.8
253.04987	2.5
254.05669	0.5
267.06464	0.9
268.03784	0.6
275.07294	0.5
281.04578	4.2
282.05212	2.3
291.06525	1.1
293.04510	8.0
294.05124	2.4
295.06094	57.6
296.06461	6.3
305.04559	4.9
314.04276	2.2
317.08057	2.0
319.06061	5.0
320.06818	2.7
321.07443	0.5
323.09216	6.1
324.09613	0.7
335.09238	26.2
336.09589	3.1
337.07349	0.5
353.10278	100.0
353.13721	4.5
354.10583	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	353.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.5
63.02403	1.3
65.00317	1.7
67.55005	0.5
69.52024	3.8
74.00805	0.6
80.53471	0.5
83.01366	0.6
85.02930	1.0
93.03458	0.8
98.19936	1.1
107.01382	1.4
108.19170	0.5
109.41947	0.5
117.03452	5.3
119.96055	0.5
121.24776	0.5
135.00865	0.7
149.06029	0.9
151.00305	0.9
159.04530	3.2
161.02454	0.9
161.06104	1.0
176.01166	1.3
183.04561	0.7
185.06116	1.1
191.05605	8.2
196.99496	0.6
209.06058	1.1
214.02744	0.9
223.07658	1.3
227.07188	0.7
239.03709	0.5
239.07004	0.7
247.07869	0.7
251.07111	1.0
253.05035	3.5
254.05797	1.1
267.06528	1.1
268.03726	0.7
281.04550	2.4
282.05170	2.0
283.05911	1.2
291.06659	1.1
293.04517	13.3
294.05157	2.9
295.06097	47.9
296.06436	4.9
305.04590	6.2
314.04343	2.4
317.08093	3.1
319.06076	5.5
320.06793	2.8
321.07645	1.9
323.05341	0.6
323.09210	14.7
324.09567	2.1
335.09232	28.1
336.09534	3.9
353.10266	100.0
353.13861	7.0
353.23209	1.7
354.10611	13.8
354.14288	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	353.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28849	0.3
58.63940	0.3
59.01379	1.0
63.02388	0.6
65.00328	0.6
69.20186	0.6
69.20597	2.5
71.01387	0.4
73.02982	0.3
84.86860	0.3
91.01892	0.8
95.33201	0.3
107.01411	1.1
107.82655	0.4
109.09203	0.3
109.88409	0.4
117.03468	1.3
131.05025	1.3
135.00885	1.5
135.84540	0.4
146.03743	5.3
148.05318	0.6
151.00360	1.4
153.38985	0.3
168.05751	0.5
176.01151	1.5
185.05956	0.4
191.05585	2.8
195.04494	1.3
197.02260	0.4
197.06091	0.6
198.06882	0.5
208.25319	0.4
209.06064	1.2
210.06844	1.2
211.04028	3.3
212.04633	0.4
213.05467	0.5
215.06973	0.4
223.03964	2.4
224.04633	0.5
225.05557	4.3
226.06273	0.9
226.66924	0.3
237.05542	1.7
238.06319	1.5
238.87584	0.3
239.00995	0.5
239.03487	7.8
239.07117	0.4
240.04135	1.6
253.05045	9.4
254.05675	3.4
255.06253	0.7
267.02972	13.4
268.03683	6.3
269.04214	0.6
281.01385	0.7
281.04544	17.2
282.05319	72.0
283.05972	20.6
284.06406	1.6
293.04562	0.5
295.06155	0.8
314.04379	0.6
335.09195	1.2
353.10278	100.0
354.10629	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	353.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12798	0.5
57.03421	0.6
71.07904	1.0
71.19240	0.5
77.03979	0.8
79.88489	0.5
93.03455	0.5
117.03448	1.8
121.02953	0.7
125.02440	5.5
132.02242	0.8
133.02946	6.6
135.04453	0.6
139.11237	0.6
145.02968	0.7
151.00351	0.6
157.02907	0.5
159.04544	1.3
161.02486	0.8
163.00334	0.8
165.01921	0.7
165.04541	0.5
180.05885	0.5
183.04454	0.6
183.87323	0.6
191.05594	2.1
194.07376	0.9
195.08141	1.1
197.06021	1.0
199.03925	0.6
208.05283	0.5
209.06078	0.8
210.06754	0.5
211.07607	0.6
224.04932	0.9
225.05492	0.8
227.07167	0.6
231.73683	0.5
237.05612	1.3
238.06410	1.2
239.07188	1.3
253.05054	5.4
254.05809	2.6
255.06522	0.7
268.03748	0.9
281.01373	1.1
281.04541	31.8
282.05234	11.3
283.06100	39.9
284.03693	0.8
284.06332	3.7
297.04001	1.2
309.03979	1.3
314.04294	6.2
317.08115	1.1
335.09244	4.0
353.10278	100.0
354.10632	13.3
354.51846	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0876
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
51.09362	0.2
52.67846	0.3
52.68699	0.3
59.01384	0.7
67.01886	0.3
69.03446	0.2
69.78673	0.4
69.79073	1.0
71.01376	0.7
73.02924	0.3
83.05004	0.3
85.02949	6.4
87.00877	1.1
87.21512	0.2
93.03451	2.1
109.02948	0.3
111.04514	0.7
127.03971	1.4
132.26033	0.3
132.97957	0.2
133.02959	0.8
135.04536	0.4
161.02435	2.3
167.81593	0.3
167.89267	0.3
173.04523	1.0
179.03484	0.6
191.05600	100.0
192.05937	3.1
192.75058	0.3
353.08759	1.0
361.87381	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46661	0.3
57.03430	0.4
59.01365	1.0
64.70340	0.4
65.00300	0.3
66.04028	0.4
70.92188	0.8
71.35309	0.3
77.03963	2.6
78.79829	0.4
79.01873	1.9
85.02957	0.8
93.03471	0.6
99.04454	0.4
105.03458	2.6
109.02865	0.3
117.03489	0.6
118.18362	0.3
121.02970	1.9
121.03699	0.4
123.04491	1.5
132.02147	0.9
133.02940	8.9
134.03432	0.3
135.04517	4.5
137.02438	0.5
144.08626	0.3
149.02437	1.6
155.05060	0.4
158.56358	0.4
159.04523	1.4
161.02451	0.8
161.88753	0.4
165.01884	0.4
169.06569	0.8
173.06039	2.9
175.04034	0.4
179.03459	0.7
180.05826	0.4
183.07999	0.4
185.06073	0.4
189.01889	0.7
191.05608	6.4
191.07118	0.5
193.06541	0.5
194.07384	0.4
195.08099	0.9
196.05220	1.6
197.06050	1.6
198.06801	0.8
209.05978	1.1
210.06763	0.4
211.07637	1.1
213.05586	1.2
215.07048	0.8
221.06058	1.1
223.03999	0.6
224.04744	3.3
225.05499	2.1
226.06308	1.1
227.07141	0.5
237.05608	1.2
238.06390	1.6
239.07094	2.5
240.04256	1.0
241.05017	0.7
253.05116	3.4
254.05865	0.9
255.06595	1.1
265.04926	0.8
268.03763	0.4
281.04465	1.4
282.05289	7.9
283.06094	100.0
284.03223	1.1
284.06409	9.5
314.04315	9.6
315.04657	1.0
325.10904	0.5
335.09225	8.0
336.09625	0.7
351.08591	0.6
353.10275	96.9
354.10580	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	352.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.8
59.99621	0.5
61.98815	1.0
70.72134	0.9
79.95739	9.2
80.96526	0.8
95.95238	6.8
96.96016	96.5
120.82380	0.5
125.02447	3.1
127.42075	0.5
133.02922	0.6
135.04549	0.5
138.97127	0.5
142.89102	0.4
152.00278	3.2
154.01816	0.8
168.08839	0.5
191.05650	5.0
264.15997	0.6
283.05981	1.0
308.19144	3.2
312.07214	0.5
324.09634	0.7
352.09143	1.7
352.21637	100.0
353.10318	11.1
353.14374	1.1
353.21906	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	353.0876
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
54.24472	0.3
59.01370	1.5
69.03447	0.4
70.82278	1.0
71.01387	0.6
82.28796	0.3
83.04980	0.4
85.02457	0.7
85.02943	8.6
87.00873	1.7
93.03461	2.3
111.04503	1.2
127.04031	2.2
133.02959	0.6
135.04509	1.9
161.02419	1.7
171.03030	0.6
173.04552	1.9
179.03523	2.0
186.58490	0.3
191.05600	100.0
192.05939	4.3
200.84831	0.3
214.72308	0.3
228.42422	0.3
266.62939	0.3
312.61298	0.3
317.89343	0.4
353.08728	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0875
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
51.96018	0.4
54.70937	0.4
57.03426	0.5
59.01373	1.5
69.03455	0.5
71.01354	0.7
71.25498	0.6
85.02946	7.8
87.00867	1.9
87.43707	0.5
88.69440	0.4
93.03448	3.5
101.47184	0.4
109.02959	0.6
111.04501	1.0
127.03996	1.7
133.02953	0.8
135.04535	2.2
148.52747	0.3
161.02399	2.2
171.03000	0.5
171.20885	0.4
173.04506	2.1
179.03473	2.5
184.87976	0.4
190.80673	0.3
191.05595	100.0
192.05957	4.4
196.47229	0.4
302.83243	0.5
353.08789	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	352.14
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	2.9
64.80367	0.6
65.63235	0.7
70.65118	2.2
71.01372	4.9
84.04552	2.7
85.02937	1.9
96.96014	0.8
100.04025	3.3
100.07670	1.1
101.02438	0.7
102.05605	98.5
103.05932	2.5
115.00335	1.4
128.03537	69.5
129.03879	1.9
133.01469	1.0
135.04547	2.3
135.11824	3.7
146.04587	100.0
147.04958	3.4
150.40025	0.6
161.09755	1.5
179.03474	2.8
179.10756	8.7
191.05615	5.9
223.09808	1.8
264.16019	3.9
277.05084	1.1
290.14001	2.0
306.39627	0.8
308.15030	14.7
309.15350	1.4
352.14011	18.4
353.14352	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	352.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69419	0.6
54.99414	0.7
59.01378	2.9
68.78486	0.7
69.21474	6.8
71.01363	4.0
73.02979	0.7
74.02476	1.0
81.72636	0.8
82.02982	1.2
84.04556	3.0
85.02971	1.5
93.04826	0.7
100.04060	2.6
100.07701	1.3
102.05607	94.8
103.05950	2.5
109.02920	1.0
118.87663	0.7
128.03537	75.9
129.03889	1.8
133.01393	1.1
133.02966	1.5
135.04514	1.1
135.11794	2.1
142.72450	0.7
146.04587	100.0
147.04866	3.1
161.09723	2.4
168.04260	1.2
177.01903	3.1
179.10762	8.5
191.05568	6.5
223.09776	1.8
264.16049	3.7
269.08157	1.1
281.04486	1.3
283.06046	5.8
290.13925	2.2
308.14987	13.4
335.09363	1.0
352.13983	27.6
352.17920	1.0
353.06372	1.2
353.10257	11.4
353.14392	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	351.1237
Annotation	Alisiaquinone A
Peak:m/z	Relative Intensity
59.01374	2.4
69.98634	3.2
75.82939	0.7
81.03458	58.0
82.03773	1.1
85.02983	0.8
95.08663	1.2
95.38501	0.6
96.96063	1.0
97.06595	6.7
111.68684	0.7
121.06608	8.6
133.02957	2.8
137.09724	69.3
138.10052	2.4
177.01962	1.0
191.05717	0.9
196.73013	0.7
201.01920	13.6
202.02214	1.0
214.02716	10.9
215.03154	0.8
225.05573	0.8
227.03487	5.0
246.01700	7.1
253.05066	10.6
254.05612	2.1
267.06653	1.7
269.08200	2.6
351.12375	100.0
352.12708	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	351.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81565	1.0
59.01379	100.0
70.62779	2.3
70.63152	2.1
70.76678	1.1
71.01376	1.4
78.31790	1.0
161.02425	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	351.1708
Annotation	Vindolinine N-oxide
Peak:m/z	Relative Intensity
50.14727	1.1
53.93993	1.2
59.01376	7.3
93.03490	1.5
96.96024	3.7
98.20757	2.4
98.91452	1.2
121.10204	7.9
127.73779	1.2
133.02968	2.3
141.17395	1.3
171.10272	21.1
171.86063	1.3
180.28998	1.3
191.05627	1.8
206.41393	1.5
269.21255	1.5
275.20123	20.2
276.20526	2.5
293.21246	15.0
315.19434	1.6
333.15988	1.5
351.09033	3.0
351.17087	100.0
352.17340	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	351.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	4.3
61.98812	1.2
71.41472	2.4
90.53645	1.1
93.03469	1.3
175.11317	2.9
218.96558	1.2
253.21623	1.7
278.13120	1.2
279.13843	3.2
292.14426	1.8
293.15494	23.2
294.16046	7.0
295.17035	4.5
321.18576	2.8
326.15158	1.9
335.20169	4.5
336.20786	3.5
343.81885	1.2
349.21619	7.0
351.23282	100.0
352.23633	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	352.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96843	0.8
59.01375	2.0
69.27827	5.5
70.23900	0.7
71.01383	3.2
73.02930	0.9
74.78152	0.7
84.04545	2.9
85.02940	1.3
100.04060	2.0
100.07674	1.3
102.05612	94.4
103.05953	2.1
123.12937	0.8
128.03546	75.3
129.03885	2.4
130.88130	0.7
133.01468	1.3
135.04518	2.5
135.11800	2.9
146.04596	100.0
147.04941	2.3
161.02548	0.9
161.09714	1.9
179.03474	1.8
179.10777	9.0
180.11218	0.9
181.90309	0.8
191.05605	6.3
223.09810	1.8
264.15942	4.4
290.14191	1.9
308.15067	11.5
309.15604	1.4
344.25513	0.8
352.13965	22.2
353.14398	2.8
354.38855	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37769	0.6
59.01363	2.8
65.00324	8.2
65.03966	0.9
71.06544	1.6
79.05535	2.3
84.56921	0.6
85.58226	0.7
87.74891	0.6
96.96017	0.7
103.05514	2.7
105.07101	3.5
107.05032	11.3
109.02963	1.2
129.07092	2.9
131.05038	10.5
133.02957	7.9
134.52238	0.6
145.06673	0.6
147.00932	0.7
149.02422	1.8
149.06084	13.6
157.03012	0.9
161.02429	0.9
162.49722	0.6
172.05310	1.1
173.04626	1.4
173.06068	13.3
174.03137	0.9
174.06482	0.8
175.04008	5.5
177.02008	1.0
189.05582	1.8
194.76614	0.6
199.04044	3.2
200.04231	0.7
201.01938	7.2
217.05066	25.7
218.05397	1.5
237.09311	1.2
243.03284	0.9
265.08643	1.2
279.10513	0.8
289.08676	0.8
291.06372	0.8
307.09732	2.9
323.09158	1.9
351.08734	100.0
352.09103	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	351.1234
Annotation	Puemiricarpene
Peak:m/z	Relative Intensity
59.01369	4.1
62.67227	0.8
69.21752	6.8
73.57719	0.9
93.03464	0.9
113.98444	1.0
133.02960	1.5
139.02547	0.9
142.93135	0.9
165.01930	0.9
191.05569	1.2
209.06046	1.3
225.05719	1.8
226.35541	0.9
237.05553	1.9
239.03435	1.2
252.00200	1.1
253.05026	2.5
265.04755	1.6
281.01376	1.8
281.04538	52.5
282.04980	4.6
293.04544	54.8
294.04776	4.4
307.06183	1.4
319.09775	2.6
321.07828	2.3
328.05853	3.6
335.09415	1.2
336.10019	12.0
351.12347	100.0
352.12714	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	351.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.3
59.01381	9.5
60.99309	4.5
67.01897	8.9
67.44637	1.1
69.03471	1.7
69.18491	11.8
71.01391	5.8
73.02937	2.3
73.88670	1.2
77.03973	2.8
81.03465	2.6
82.89388	1.1
83.05032	2.0
85.02966	8.4
87.00890	15.9
89.02432	1.6
91.05555	1.3
93.03462	51.6
94.03777	1.5
95.05048	3.1
101.02447	1.1
105.03475	17.8
107.05051	6.6
109.02953	23.6
111.00941	1.4
111.04527	10.3
113.10042	1.2
117.03494	3.3
123.04533	5.2
129.01933	1.9
132.02138	1.3
133.02972	100.0
134.03336	4.2
135.04541	30.2
137.02451	2.8
149.02423	1.7
150.03264	8.5
151.04050	2.5
155.03535	3.2
156.02634	1.2
161.02411	1.9
169.10460	1.1
173.04565	40.5
173.06062	2.0
174.04915	2.7
177.01929	35.4
178.02290	2.4
179.03482	9.8
189.04030	1.3
191.05621	71.6
192.05956	3.6
195.02908	1.4
215.05623	46.4
216.05969	2.2
270.63873	1.5
284.68060	1.1
307.08176	6.9
308.08801	2.0
316.38361	1.2
319.08008	1.2
331.37814	1.3
351.07260	25.0
352.07535	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
58.21114	0.6
59.01385	3.6
59.70134	0.6
61.98807	1.0
65.00331	8.0
65.03974	0.9
70.07683	0.7
70.66668	0.7
70.67873	2.0
79.05545	2.2
81.03450	1.0
86.35327	0.7
89.03982	0.8
93.03463	1.0
96.96020	1.6
103.05538	3.3
105.07099	4.3
107.05035	11.3
108.05393	0.8
109.02927	0.8
121.02956	1.0
129.07089	4.1
130.04263	1.2
131.04108	1.2
131.05045	13.7
133.02957	8.9
145.06683	0.6
149.02425	2.1
149.06090	15.2
157.02950	1.0
158.03745	1.1
172.05287	1.6
173.02483	1.5
173.06073	15.2
174.06491	0.8
175.04016	6.6
177.01921	1.1
189.05547	2.0
191.05576	1.8
199.04027	3.2
201.01985	8.5
217.05057	34.1
218.05406	2.3
263.07217	0.8
263.10602	0.8
265.08685	1.7
279.10107	1.0
307.09753	2.5
323.09268	2.4
351.08749	100.0
352.09082	11.5
353.87485	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29213	1.0
55.39771	1.0
56.49360	1.1
59.01383	100.0
60.97193	1.2
71.01376	1.2
78.53264	1.0
87.59277	0.9
88.95614	1.0
105.92212	1.1
150.43854	1.3
163.56485	1.0
296.48148	1.0
310.75330	1.0
348.06305	1.0
356.98383	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05513	0.8
57.03425	0.9
59.01379	100.0
71.01374	11.5
71.50499	1.0
72.99282	1.0
73.02945	2.7
83.01352	1.1
85.02927	3.9
89.02444	1.6
91.94310	0.8
101.02454	5.6
113.02429	3.0
115.59058	0.7
120.08155	0.8
145.12366	1.3
159.04524	4.1
159.88774	0.9
160.63358	0.8
161.04584	4.5
166.07399	0.8
192.55537	0.8
200.14409	1.4
203.03464	2.6
269.12891	1.7
303.91949	0.9
307.17590	7.6
308.17975	1.3
331.12946	1.0
349.18243	0.8
363.12610	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.07643	1.3
61.98831	2.7
71.07915	3.2
102.72711	1.6
119.05350	1.6
128.56752	1.6
143.78157	1.5
170.00664	1.5
191.58157	1.5
221.96954	1.4
233.05421	1.6
303.95389	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	348.9859
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52644	0.1
58.41761	0.1
59.01371	0.2
61.98827	100.0
62.98530	0.3
63.99259	0.2
71.48409	0.1
112.50812	0.1
147.96091	0.1
152.94989	0.1
157.07944	0.1
162.98471	1.8
163.98642	0.1
164.96393	0.4
182.93004	0.1
204.00027	0.4
205.00060	0.5
205.99738	0.6
206.97430	71.1
207.97530	5.4
306.83905	0.1
348.98538	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0903
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	21.1
69.76351	2.9
69.76760	8.0
71.01382	11.9
77.91010	1.7
85.02962	4.8
89.02448	23.3
95.01348	2.0
98.20629	3.6
101.02447	10.5
113.02452	5.0
119.03487	9.9
135.03017	4.5
151.06088	12.4
161.04593	3.4
167.10738	1.8
179.05620	10.7
191.05594	17.4
229.17596	2.2
289.02374	8.3
313.11389	100.0
314.11639	5.7
349.09106	34.4
350.09283	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1043
Annotation	bisanthene
Peak:m/z	Relative Intensity
51.79809	1.8
59.01383	29.8
61.98827	3.6
65.99850	4.1
69.17377	15.7
69.17796	2.8
71.01381	13.2
71.84185	1.6
72.26180	1.7
73.02957	4.1
82.02987	14.6
83.01440	3.0
85.02951	3.9
87.00876	2.0
89.02469	6.1
95.96318	1.9
98.20683	2.8
101.02444	7.1
104.11150	1.7
106.02998	5.6
113.02457	3.3
115.00320	1.9
116.03599	1.7
117.03500	4.2
119.03464	1.9
121.02969	2.2
122.06115	3.4
125.67908	1.6
133.01407	2.5
135.73499	1.5
136.04073	2.6
138.05611	14.0
149.03557	2.0
149.04832	3.2
161.04556	2.4
163.05109	4.0
164.03539	30.5
174.05466	1.9
176.10768	4.7
186.05490	1.6
187.03723	2.1
188.07306	2.2
189.01956	5.4
190.08727	25.7
191.04625	25.4
191.08058	3.2
202.08801	6.3
216.05403	1.7
217.06108	10.2
218.11873	40.3
219.12001	2.0
229.06064	2.1
231.07826	7.9
233.00914	8.5
233.09314	84.4
234.09651	6.4
244.04906	11.1
244.09810	10.8
245.09297	18.5
258.06409	3.8
259.07233	36.7
261.12460	17.7
271.07263	25.6
272.08038	1.8
277.08292	7.5
277.20093	1.6
287.10388	55.8
288.10757	4.6
305.11520	15.7
307.14371	1.8
331.09360	48.5
332.09766	5.9
349.10461	100.0
349.14923	15.7
350.10910	8.4
350.14734	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	347.0538
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	7.2
61.98830	1.4
69.03456	1.0
69.66170	2.3
69.66582	2.5
71.01385	5.1
89.02454	2.8
97.02955	1.6
101.02451	2.1
107.71497	0.8
108.06568	1.0
109.02955	7.5
119.54276	0.8
128.03528	0.9
133.06612	1.0
135.04523	14.8
143.05061	8.2
145.03015	1.1
145.06583	1.4
146.03818	1.5
147.04500	1.2
149.06068	7.6
151.03943	1.9
153.01846	1.1
159.04460	1.3
160.05292	1.3
161.02434	0.9
161.06073	10.1
163.03981	1.3
165.05597	3.0
166.04953	1.3
171.04535	12.1
172.05092	1.2
174.03209	3.0
177.05568	3.4
179.03464	1.5
187.04022	2.6
188.04758	1.1
189.05580	100.0
190.05919	5.9
191.03496	2.6
205.04976	2.8
207.06679	7.9
221.04506	2.4
231.06642	1.1
233.04593	2.2
249.07639	1.4
251.05615	4.7
311.07758	16.8
312.08124	1.4
334.60614	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	347.0542
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28081	0.8
59.01381	7.3
69.03465	1.2
69.66193	1.5
69.66598	3.0
71.01381	3.9
85.02975	1.2
89.02460	2.9
90.91147	0.9
93.03435	0.9
97.02941	2.6
99.76608	0.9
101.02470	1.6
109.02953	10.2
111.00834	0.7
113.02445	1.5
117.38350	0.8
119.03535	1.0
119.05038	1.2
123.04494	0.8
128.03490	1.4
130.04253	0.8
131.03708	0.8
133.02979	1.6
135.04512	18.1
136.04913	1.2
143.05011	7.9
145.06625	2.0
146.03778	1.3
149.06087	9.0
151.04056	1.4
159.04501	2.6
161.02454	1.5
161.04768	1.6
161.06076	11.8
163.03999	1.5
163.07719	1.0
165.05606	2.9
167.07095	0.8
168.39075	0.7
171.04532	11.8
172.05191	1.2
174.03230	3.6
177.01866	1.0
177.05592	12.4
179.03529	2.2
187.04056	4.5
187.73256	0.8
188.04732	1.7
189.05579	100.0
190.05899	5.2
191.03522	3.2
205.05063	3.2
207.06657	8.2
219.07892	0.9
221.04590	4.7
231.06723	1.0
233.04608	2.5
249.07761	1.5
251.01355	0.7
251.05649	5.1
267.08914	1.0
281.06659	1.0
304.53214	0.9
311.07751	21.3
312.07880	2.0
347.07425	0.8
347.12280	1.4
347.16800	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	23.9
71.01344	1.1
72.83306	0.9
79.03867	0.9
84.28212	0.9
123.04527	1.9
142.06430	1.0
154.27313	1.0
156.98996	1.0
260.26614	1.1
263.20129	100.0
264.20505	10.8
330.67838	0.9
345.20435	16.4
346.20618	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	345.2433
Annotation	Ginkgoic acid
Peak:m/z	Relative Intensity
61.98835	2.0
68.38313	1.3
70.95003	1.3
84.67542	1.3
108.02225	1.6
110.19643	1.6
119.05032	10.0
121.02949	10.8
128.82520	1.4
133.06593	4.9
161.19914	1.5
175.11212	1.8
301.25342	100.0
302.25714	13.1
345.24323	79.8
346.24725	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	346.0114
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24751	0.3
59.01377	4.3
59.01660	0.4
60.01690	0.4
61.98827	100.0
69.75333	1.2
70.77225	0.2
72.29542	0.2
92.79373	0.2
98.19984	0.4
110.82860	0.2
134.66605	0.2
201.02534	0.5
202.02724	1.4
203.02231	2.0
203.99979	46.0
205.00104	3.4
218.69167	0.2
346.01019	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	8.9
69.03423	0.9
70.79164	1.7
71.01375	8.9
74.02466	1.0
78.95925	0.6
84.00892	1.1
90.60770	0.7
92.65121	0.6
95.05027	5.6
104.03548	1.4
112.04039	40.9
113.02413	1.4
113.04388	1.4
122.06070	0.9
124.04030	13.6
126.05614	4.9
128.03525	1.5
135.04527	0.6
138.05554	0.8
140.07172	5.0
152.07176	0.8
154.05077	8.4
164.07074	0.8
166.05077	100.0
167.05446	4.6
182.08202	38.4
183.08585	1.1
184.06125	11.8
189.05608	1.0
197.12831	0.6
223.10803	1.4
226.07178	10.1
328.10400	2.8
346.11441	26.1
346.16095	2.9
347.11783	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	347.0254
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	27.8
61.98802	14.3
67.01905	10.9
70.12582	8.5
70.76727	15.8
70.77081	18.8
71.01379	100.0
73.02931	12.3
83.01369	31.3
85.02936	22.2
96.56311	9.9
99.00857	46.7
110.90937	9.9
111.00888	58.7
112.98795	21.8
113.81626	9.1
129.01923	70.0
142.99860	68.9
173.00856	24.8
175.02455	18.4
189.05547	24.6
306.20117	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	345.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46297	1.6
58.59770	1.6
59.01385	30.5
65.59028	1.8
69.14201	15.3
71.01381	20.3
73.02948	2.1
84.04546	2.2
85.02966	5.1
89.02447	11.9
94.02992	1.8
95.03754	4.4
96.08202	2.8
101.02438	12.7
104.05053	2.6
106.06609	9.4
108.04627	1.6
113.02454	6.3
115.00344	2.4
119.03520	6.5
121.10267	8.5
122.06112	5.7
124.07689	9.8
132.04567	60.0
133.05353	31.3
134.06168	10.0
139.57861	1.7
148.04053	3.0
148.08844	1.8
150.05589	4.4
165.04323	43.9
165.09274	3.1
176.03496	1.6
176.07103	3.0
177.04372	7.4
178.05084	4.0
185.09314	3.2
186.09250	8.6
187.08711	2.1
209.03256	9.5
213.06729	5.7
214.12358	11.5
215.11874	13.2
217.12520	2.0
225.11195	2.8
227.08258	2.9
229.09862	5.8
230.04898	1.6
234.50116	1.5
240.10339	3.2
241.09944	5.9
243.12436	2.7
255.11636	2.0
257.12988	48.2
258.13269	4.6
283.10864	15.4
301.11957	42.0
302.12302	2.5
309.34161	1.6
327.09842	2.4
345.10907	100.0
345.15472	22.1
345.19354	2.8
346.11197	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	345.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22376	0.8
55.01886	4.1
59.01377	6.7
59.98247	0.9
69.03461	100.0
70.03796	2.6
70.79546	2.6
71.01385	12.1
72.99284	2.7
73.02943	1.3
78.87231	0.8
79.01916	4.3
85.02940	3.0
87.00835	1.0
89.02454	1.0
92.68894	0.8
95.01389	2.5
95.05018	1.8
97.02955	19.6
97.06603	6.1
97.67461	0.8
98.03297	1.6
99.00272	1.7
99.00886	26.0
101.02462	1.1
107.24992	0.8
113.02443	2.6
115.00375	2.5
115.07619	1.2
116.01740	1.9
123.00899	1.8
123.04539	1.7
124.01635	2.1
132.04535	1.0
135.04501	2.8
139.04030	2.0
141.01949	9.2
141.05595	0.9
159.06604	4.5
162.05594	1.3
164.78401	1.0
176.03552	2.0
179.03514	1.5
183.02992	2.2
185.00923	62.5
186.01241	2.4
202.70752	0.9
203.01892	1.6
257.12939	2.8
298.29916	1.0
300.17459	1.0
345.08084	13.8
345.11340	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	345.1089
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
61.18975	0.7
64.50533	0.6
70.80687	1.8
84.04510	0.7
84.61794	0.6
95.03732	2.3
96.08189	0.9
104.05041	1.6
106.06618	5.7
122.06126	1.9
124.07662	9.3
132.04546	36.5
133.05341	23.7
134.06174	5.0
138.05544	0.9
145.73189	0.6
148.04015	2.0
150.05592	1.6
165.04294	18.6
176.03458	1.0
177.04274	4.7
178.05098	2.2
183.01425	0.8
184.07677	0.8
186.09184	4.5
209.03230	4.7
213.06650	3.2
214.12355	6.8
215.11844	8.1
226.07408	1.2
227.08089	0.9
229.09789	4.1
240.10385	1.6
241.09814	4.2
243.12540	0.8
255.11420	1.2
257.12918	26.4
258.13187	2.7
259.77393	0.8
279.07642	0.8
283.10867	7.7
301.11911	20.7
302.12167	1.8
327.09842	1.6
340.96628	0.7
345.10861	100.0
346.11200	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	345.109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	4.5
64.25218	1.1
71.01381	2.3
71.50368	1.6
80.05058	1.5
89.02442	1.7
89.91111	1.3
95.03758	4.1
104.05048	2.7
105.03465	1.4
106.06622	11.7
113.02421	1.3
122.06097	4.3
124.07689	12.7
132.04552	68.1
133.05345	38.4
134.06172	9.6
137.04778	1.2
143.37128	1.2
148.03983	3.7
150.05620	1.7
165.02977	1.8
165.04323	33.8
176.03529	2.4
176.07120	1.4
177.04298	5.3
178.05051	2.9
186.09315	7.9
187.08752	1.6
198.09196	1.9
208.77098	1.3
209.03310	8.8
213.06694	5.7
214.12352	12.8
215.11893	15.4
216.12242	1.9
226.07404	2.7
229.09877	7.4
240.10347	2.7
241.09889	7.0
247.97589	1.3
255.11356	1.6
257.12939	50.1
258.13254	5.1
283.10849	14.7
301.11899	36.8
302.12219	2.8
327.09885	2.7
345.10883	100.0
346.11127	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	7.1
59.01380	39.0
61.01793	1.1
63.79879	1.1
67.30291	1.1
69.03468	1.6
69.16142	10.9
71.01387	5.6
71.05014	2.8
78.83970	1.2
83.05016	5.2
85.02946	3.5
85.06592	5.4
87.04521	3.3
89.02435	1.6
95.05035	1.3
97.06593	1.3
98.20670	2.5
99.08184	1.2
109.06588	1.4
115.07664	20.0
121.02953	1.8
129.09189	1.4
137.02460	2.1
139.11290	3.4
141.16475	1.2
165.01839	1.4
171.10239	8.6
184.77168	1.3
201.11227	2.2
208.95482	1.1
209.11902	1.7
211.13353	3.9
229.14429	2.6
237.15016	9.3
239.39525	1.1
255.19543	1.5
281.12939	1.9
283.19144	17.9
284.19650	1.2
301.20181	100.0
302.20529	8.8
313.03595	1.9
315.05112	4.0
325.19992	1.7
343.07907	2.9
343.21225	62.2
343.24881	4.1
344.21701	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	343.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.1
61.98811	0.7
65.43288	0.5
69.16096	2.2
69.16523	2.6
71.01382	1.2
72.70454	0.5
89.02456	1.1
99.00891	1.5
119.76532	0.6
121.02946	1.6
130.00636	0.9
135.60204	0.5
137.02461	1.1
146.00142	0.9
171.10300	0.9
181.15974	0.9
185.99559	0.6
197.99577	1.7
213.98904	0.9
229.01398	1.1
241.98500	1.4
254.99327	2.0
257.00867	2.2
265.14456	1.5
269.98041	38.0
270.98642	2.5
283.99536	1.1
285.00385	16.3
286.00757	1.8
297.97525	68.6
298.97824	5.2
299.01175	0.9
312.99884	100.0
314.00204	8.5
327.01492	0.9
328.02216	98.9
329.02621	9.1
335.48169	0.6
343.04544	56.2
343.17520	1.4
343.21252	3.0
344.04749	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	343.1031
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
59.01373	1.3
69.16444	5.1
69.16840	1.5
71.01390	3.6
93.03471	2.0
93.07104	7.4
95.04996	3.8
98.19856	1.2
101.02489	0.8
108.02168	1.2
109.02953	16.0
110.03327	1.0
121.02956	16.8
123.00871	2.0
124.01708	0.9
135.04535	1.6
137.06079	100.0
138.03200	1.0
138.06398	5.3
139.04013	17.9
140.04317	0.6
140.05438	0.6
162.36328	0.6
163.04001	16.6
181.05058	83.1
182.05423	4.4
223.05974	0.7
227.92993	0.6
331.43799	0.6
343.10309	47.2
344.10727	4.8
362.92258	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	6.6
59.01381	41.0
69.03452	1.5
69.16258	1.9
69.16672	8.5
71.01376	4.1
71.05015	2.8
79.10727	0.9
83.01426	1.1
83.05029	5.3
84.02136	1.4
85.02936	2.0
85.06606	6.1
87.04499	2.2
87.08126	1.1
89.02471	1.3
89.36501	0.9
93.03501	1.0
95.05019	2.7
97.06591	3.2
102.24722	0.9
109.02930	1.6
111.08163	1.2
114.11375	0.9
115.07654	23.1
121.02962	2.2
127.11307	0.8
129.09218	2.8
132.04561	2.1
137.02435	1.7
139.11305	4.7
139.40695	1.0
149.81107	0.9
151.03966	0.9
171.10271	9.0
177.01950	2.0
183.13983	1.2
193.15996	1.5
195.13852	1.1
201.11325	1.5
209.11899	1.1
211.13422	3.3
213.02171	1.0
226.67567	0.8
229.14507	3.0
237.14972	8.6
242.02309	1.0
255.16048	1.0
255.19775	1.7
270.01733	1.7
281.01334	0.9
283.19125	20.2
284.19537	1.7
285.04022	1.8
289.18161	1.1
301.20200	100.0
302.20599	9.7
313.03580	7.2
313.24789	0.8
315.05139	2.4
325.20117	1.4
328.05872	2.0
343.08328	5.6
343.21234	55.2
343.24887	5.7
344.21570	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	341.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27136	0.6
57.03439	0.8
59.01383	9.9
65.48542	0.7
69.03450	1.5
70.61810	1.9
71.01384	6.8
75.00886	0.7
77.77726	0.6
83.05022	1.2
84.02177	3.2
85.02940	2.1
89.02440	7.7
91.75755	0.7
95.05038	0.7
97.02963	1.5
97.05982	0.8
97.06593	11.5
99.04516	1.2
101.02467	3.2
113.02425	2.5
119.03493	2.6
125.09710	1.9
126.29284	0.8
128.91800	0.6
130.08687	1.0
131.09033	0.8
137.09692	1.5
143.03531	0.6
161.04526	0.8
171.10274	13.9
175.11174	1.0
177.12860	0.7
179.05620	2.7
193.12337	15.0
203.10953	0.6
207.13852	0.9
211.13394	2.4
221.11768	1.2
225.14941	19.8
226.15410	1.2
243.16040	10.5
244.16435	0.7
253.14308	1.4
291.19708	1.3
341.10944	2.5
341.23318	100.0
342.23715	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	343.037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33402	0.2
53.09266	0.2
59.01379	85.6
60.01716	0.8
61.98833	0.5
71.00440	0.5
113.04597	0.5
149.27161	0.3
157.03563	7.2
158.03723	0.5
159.01474	1.7
175.45863	0.2
192.28973	0.2
200.18680	0.2
201.02544	100.0
202.02702	8.7
343.03662	2.0
344.03940	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	9.4
59.01381	100.0
69.03429	4.1
69.57463	19.2
69.69897	2.6
71.01379	76.0
72.99298	10.0
73.02944	4.6
75.00856	9.4
81.03471	4.7
83.01385	4.9
83.05022	3.6
85.02952	22.4
87.00879	5.5
89.02442	74.0
93.03441	2.8
95.01395	4.9
95.05003	7.4
96.96033	3.3
97.02968	2.9
97.06595	3.9
101.02448	36.0
108.02177	7.8
108.04553	3.8
109.02924	4.1
109.06575	11.4
111.00861	12.1
113.02451	24.8
119.03513	29.3
121.06637	4.7
122.03735	6.2
123.04531	4.6
124.01655	3.5
125.05968	3.4
129.01938	15.3
134.03809	4.0
135.04533	4.2
135.08167	3.9
136.01636	3.4
136.05280	8.4
143.03473	8.9
149.04573	5.0
161.04572	6.9
161.09662	3.0
165.12788	4.9
177.01949	4.5
177.12778	3.7
179.03377	4.1
179.05635	30.3
179.14378	5.4
180.06647	3.7
183.13788	4.8
189.12862	4.9
189.44679	2.7
191.14426	5.7
193.12259	3.9
201.12975	3.4
205.12337	8.0
209.11774	5.8
209.15623	2.8
211.13367	49.3
217.12352	3.1
221.15457	3.8
223.13376	15.0
224.04686	4.5
227.10606	3.6
233.15457	4.2
235.13379	20.0
238.06569	4.0
245.11818	12.9
247.13368	21.2
249.14850	9.5
251.12878	96.8
251.25896	3.0
252.13213	6.8
253.14421	12.4
255.10251	8.3
259.13391	15.6
261.14911	3.3
263.12888	29.6
265.14420	19.7
277.14548	21.0
281.04691	4.0
281.13986	14.1
283.06415	4.9
283.09720	33.1
287.12878	6.6
293.13974	11.8
295.15469	5.3
305.13934	37.1
311.09244	65.9
312.09573	6.9
323.05682	2.9
323.15033	14.5
325.10526	9.7
326.11542	42.3
327.11835	4.8
341.06436	16.0
341.10736	23.9
341.14001	38.7
341.19589	4.4
342.10895	3.9
342.14645	3.7
359.16153	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	341.1391
Annotation	Drypetenone C
Peak:m/z	Relative Intensity
57.03450	2.5
59.01380	14.9
63.77700	0.5
65.00316	2.2
70.91496	1.3
71.01381	8.9
72.99316	0.7
81.03456	29.4
81.08463	0.5
82.03782	0.5
83.01384	13.9
85.02950	0.6
87.00878	0.8
88.22496	0.4
89.01882	0.6
89.02438	11.9
91.73536	0.5
95.01356	1.0
95.05027	1.2
95.17170	0.5
99.04553	0.8
101.02452	5.1
106.04215	1.9
106.93698	0.5
107.01377	2.2
108.75996	0.4
113.02456	3.9
119.03498	4.1
123.04523	44.9
124.04862	1.7
125.02441	15.5
126.02742	0.6
131.03470	0.8
132.05804	4.6
135.04539	1.1
138.03200	0.6
143.03474	1.1
149.02403	0.7
151.00383	3.2
161.04555	1.1
161.09724	4.1
161.78287	0.5
164.04761	1.6
166.02681	0.9
167.03488	100.0
168.03848	4.5
179.03526	4.6
179.05612	3.7
187.11279	13.0
188.11592	1.2
255.13785	0.7
257.11710	2.3
265.45972	0.6
341.11017	2.7
341.13968	53.9
342.14270	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	341.1391
Annotation	Arisantetralone B
Peak:m/z	Relative Intensity
52.75018	0.8
56.45709	0.8
57.03431	1.9
58.00588	1.3
59.01378	40.4
62.13288	0.9
69.35265	0.8
69.64533	1.9
69.64912	5.5
71.01379	26.0
71.05015	0.9
72.99281	1.5
73.02956	1.1
81.03479	2.8
83.01419	1.1
83.05040	2.8
85.02962	4.9
87.00893	1.0
89.02445	33.5
91.05564	1.4
93.03445	2.1
95.01384	1.6
101.02437	13.3
104.12665	1.0
111.04530	6.6
113.02450	9.8
119.03477	12.0
121.02997	0.9
124.56034	0.9
131.03528	2.2
135.04538	1.1
143.03535	2.5
145.02977	4.0
149.04576	1.3
151.07677	4.8
161.04562	3.9
169.08760	2.8
171.10280	6.2
179.05617	12.9
179.07077	1.6
201.11310	2.7
209.06207	1.2
210.06851	1.0
213.11310	1.3
222.06894	1.1
224.04762	6.3
224.08203	1.0
225.09177	1.1
227.10748	1.9
235.07790	0.9
237.05421	1.1
238.06369	10.3
239.10814	2.9
241.08722	3.2
249.11243	0.9
252.04233	1.5
253.08678	1.8
254.09474	2.2
255.10231	9.0
256.10690	1.1
260.91412	0.9
266.05786	5.0
267.06601	1.5
267.10257	1.6
269.11792	2.9
270.05420	2.2
270.12564	4.4
282.08987	2.0
283.09741	47.6
284.10165	4.0
294.08722	1.7
295.09668	4.8
296.07379	1.1
296.10550	4.1
297.11349	1.8
298.12064	5.4
310.08661	1.6
310.11832	1.8
311.09232	100.0
312.09598	9.5
325.10815	12.7
326.11548	68.9
327.11935	7.5
341.10748	8.0
341.14035	71.7
342.10745	1.3
342.14304	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	341.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05974	0.9
55.55881	0.8
57.03440	1.7
58.00593	3.4
59.01379	100.0
70.84097	2.4
71.01381	64.6
72.01716	0.9
72.99303	3.5
74.99056	1.0
83.01379	2.7
85.02942	11.0
87.00882	4.5
88.13756	1.0
89.02443	85.4
91.05503	1.5
93.69976	1.2
95.01388	3.3
101.02440	30.0
102.44215	0.9
113.02444	26.6
119.03500	29.8
131.03487	4.3
135.04518	7.3
143.03519	7.6
149.04564	3.3
161.04547	10.0
179.03496	2.1
179.03792	1.5
179.05608	30.4
180.05956	1.8
242.05626	1.2
256.77493	0.9
341.10886	33.8
342.11334	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	341.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57279	1.0
55.01852	1.8
55.50163	0.9
57.03438	1.8
58.00570	2.6
59.01379	100.0
60.01706	1.7
68.01408	1.0
69.03446	2.7
69.39197	7.8
71.01382	52.7
72.99315	1.9
73.02945	23.8
83.01379	8.0
85.01785	1.1
85.02960	11.6
87.00864	3.4
87.29029	0.9
89.02444	44.0
95.01387	3.3
97.02995	1.6
99.00853	2.0
101.02444	30.0
107.04980	1.9
109.02954	16.5
113.01722	1.8
113.02453	24.4
117.03458	1.1
119.03518	14.5
119.05019	14.8
120.05363	1.5
123.03230	1.5
125.02434	1.6
125.66718	0.9
131.03473	3.4
133.02890	1.1
135.04532	12.3
137.02460	2.3
138.05614	30.8
143.03494	3.8
143.05026	1.9
143.89282	1.2
145.02960	6.3
147.04492	2.4
151.03983	1.8
159.04469	1.0
161.02409	3.4
161.04521	7.8
161.06053	4.9
175.03990	3.1
179.03563	5.7
179.05591	10.7
180.06691	1.4
187.04051	2.8
192.06564	1.7
203.03394	1.6
253.05067	1.9
255.06642	3.5
281.04489	4.1
281.10358	7.7
282.05191	1.2
282.09848	4.1
297.07657	7.6
299.11234	1.7
300.10956	1.9
341.06613	5.1
341.10886	16.5
342.11649	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.8
57.03445	2.1
58.00600	3.6
59.01379	100.0
60.01716	1.0
60.66591	0.8
63.40382	0.9
68.31829	0.7
69.25014	5.9
71.01379	68.1
72.99289	3.9
73.02957	2.0
83.01402	2.3
85.02943	10.2
87.00867	3.9
89.02443	82.9
90.02791	1.0
95.01383	3.6
96.66714	0.7
98.19855	1.3
98.55022	0.7
99.00896	0.8
101.02442	29.2
102.02737	1.1
104.15266	0.7
107.03518	0.9
113.02452	28.8
119.02773	0.5
119.03500	29.7
131.03500	5.7
135.04521	5.0
143.03508	6.7
149.04570	3.4
161.04555	9.9
179.05595	32.1
204.04010	0.8
341.10849	36.9
342.11050	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	341.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.4
57.03428	1.6
58.00582	3.5
59.01377	100.0
59.75310	0.9
71.01378	64.2
71.26213	2.4
72.01714	1.2
72.99294	3.6
73.02937	1.3
79.81007	1.0
83.01375	1.9
85.02954	9.1
87.00873	3.7
89.02442	80.8
90.02754	1.4
95.01379	3.7
101.02433	25.9
110.67089	1.3
113.02444	23.4
114.02744	1.1
119.03500	27.3
131.03511	3.6
131.97600	1.0
135.04523	4.1
143.03500	8.3
149.04555	2.6
161.04567	8.5
179.03333	1.4
179.03853	1.4
179.05597	28.1
180.05957	1.2
230.78235	0.9
281.29050	1.0
341.10864	34.7
342.11371	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	341.0876
Annotation	Caffeic acid 3-glucoside
Peak:m/z	Relative Intensity
59.01379	8.5
65.03956	1.2
70.44798	0.4
70.79865	0.6
70.80199	0.7
71.01383	6.0
73.02951	0.6
82.00415	0.4
85.02951	0.7
89.02447	5.4
91.05531	16.6
93.03457	3.1
95.01389	0.5
101.02416	3.4
107.05026	0.4
113.02450	2.6
119.03486	2.2
124.79940	0.4
134.03816	0.5
135.04524	100.0
136.04829	4.9
137.02417	0.6
141.94991	0.4
143.03494	0.5
161.02444	5.8
161.04488	0.8
162.02782	0.5
163.13446	0.5
179.03502	20.2
179.05566	2.1
180.03758	0.6
215.01161	0.4
228.27287	0.4
268.70496	0.4
341.10822	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0876
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
54.88942	0.2
59.01377	3.5
65.03972	0.5
71.01378	2.3
73.02950	0.4
80.79073	0.2
83.01424	0.2
85.02978	0.6
87.00851	0.2
89.02441	2.2
91.05532	3.2
93.03472	0.8
94.73395	0.2
95.01400	0.2
101.02448	1.3
102.93173	0.2
106.04201	0.2
107.05042	1.0
113.02462	1.1
119.03513	0.8
119.05001	0.4
121.49908	0.2
133.02962	0.4
134.03745	2.9
135.04523	100.0
136.04852	4.4
137.02432	1.0
138.05539	0.3
143.03516	0.2
161.02399	0.3
172.54153	0.2
178.02658	0.4
179.03490	89.1
180.03844	3.8
192.88020	0.2
228.06451	0.2
237.32835	0.2
243.44264	0.2
341.08609	10.3
342.09030	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.9
57.03450	1.5
58.00591	3.2
59.01378	100.0
64.43528	0.5
69.03436	0.6
69.24307	0.7
69.24834	4.7
69.25123	0.7
70.46104	0.5
71.01381	66.8
72.01723	0.9
72.99323	4.0
73.02952	1.9
73.56287	0.5
83.01392	2.2
85.02952	8.2
87.00867	4.3
87.58414	0.5
89.02444	89.9
92.43761	0.5
95.01366	3.2
99.00924	0.9
101.02441	32.3
113.01856	0.4
113.02447	25.6
119.03503	33.0
125.02438	1.2
131.03516	3.8
141.27534	0.5
143.03471	8.9
149.04527	3.7
161.04559	9.0
179.05591	32.5
180.05946	1.3
180.88121	0.5
324.38867	0.6
341.10876	33.2
342.11249	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	340.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72111	0.6
53.48829	0.6
57.03433	1.3
58.00601	0.7
59.01383	19.8
61.98838	0.6
69.03429	0.6
71.01385	12.6
71.42999	0.8
75.00876	0.6
83.05023	0.7
84.02171	1.6
85.02969	2.0
87.00893	1.0
89.02450	14.8
95.01389	1.0
97.02975	1.3
97.06599	5.5
101.02450	5.7
106.55396	0.5
111.08144	0.9
112.65725	0.7
113.02444	5.0
119.03522	5.6
119.04994	0.6
125.09724	0.7
130.08745	100.0
131.03529	1.1
131.09099	3.1
137.09692	0.7
143.03552	1.3
155.38940	0.6
161.04594	1.7
165.12842	5.4
171.10277	4.9
179.05603	5.4
193.12357	7.3
211.13472	1.8
221.11841	0.8
225.14951	10.8
243.16028	4.0
250.37334	0.6
253.14537	0.7
268.51971	0.8
278.21149	0.6
291.19662	1.0
296.22034	0.6
340.21292	23.7
341.10947	6.8
341.23380	40.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0875
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
59.01376	5.5
60.89245	0.4
65.03951	1.7
69.91768	1.4
69.92165	0.8
71.01377	3.4
73.02933	1.0
73.46004	0.4
85.02922	0.7
89.02437	3.2
91.05530	15.9
92.05875	1.1
93.03452	3.2
101.02435	1.4
103.43671	0.4
107.05025	0.4
113.02435	1.2
119.03516	1.1
119.05026	1.1
127.06572	0.4
135.04518	100.0
136.04845	4.6
137.02449	0.5
138.05612	1.1
143.03487	0.6
158.03645	0.3
161.02423	0.6
179.03481	15.8
179.05521	0.9
179.68875	0.4
205.16298	0.4
215.27914	0.4
231.59195	0.4
251.32011	0.4
341.11475	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1996
Annotation	NORETHINDRONE ACETATE
Peak:m/z	Relative Intensity
70.13613	0.5
70.13983	0.9
71.32832	0.2
74.34872	0.3
79.95751	1.0
98.20679	0.3
119.05028	1.2
120.18240	0.3
169.99187	0.3
170.00392	1.5
183.01196	43.6
184.01715	2.1
191.56931	0.2
197.02765	3.2
198.03345	0.3
211.04376	0.5
216.00974	0.7
225.05872	0.9
239.07431	1.1
253.09169	0.3
339.19955	100.0
340.16119	0.5
340.20285	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	339.2326
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
50.09138	0.5
50.71025	0.4
58.68053	0.4
85.82574	0.4
98.19923	0.9
99.48521	0.4
161.01189	0.6
163.11290	100.0
164.11600	5.0
175.32933	0.5
190.35747	0.5
196.79034	0.4
228.05356	0.6
228.89903	0.5
339.23260	72.7
340.23547	5.7
340.59018	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2538
Annotation	11-deoxy-PGF1alpha
Peak:m/z	Relative Intensity
57.03451	17.1
59.01381	2.7
61.98811	1.3
65.58836	1.1
71.05029	2.6
125.09757	5.6
139.10208	2.1
139.11293	33.8
140.11584	1.3
195.17615	5.9
239.69641	1.0
277.25467	2.2
339.25388	100.0
340.25711	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	340.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72111	0.6
53.48829	0.6
57.03433	1.3
58.00601	0.7
59.01383	19.8
61.98838	0.6
69.03429	0.6
71.01385	12.6
71.42999	0.8
75.00876	0.6
83.05023	0.7
84.02171	1.6
85.02969	2.0
87.00893	1.0
89.02450	14.8
95.01389	1.0
97.02975	1.3
97.06599	5.5
101.02450	5.7
106.55396	0.5
111.08144	0.9
112.65725	0.7
113.02444	5.0
119.03522	5.6
119.04994	0.6
125.09724	0.7
130.08745	100.0
131.03529	1.1
131.09099	3.1
137.09692	0.7
143.03552	1.3
155.38940	0.6
161.04594	1.7
165.12842	5.4
171.10277	4.9
179.05603	5.4
193.12357	7.3
211.13472	1.8
221.11841	0.8
225.14951	10.8
243.16028	4.0
250.37334	0.6
253.14537	0.7
268.51971	0.8
278.21149	0.6
291.19662	1.0
296.22034	0.6
340.21292	23.7
341.10947	6.8
341.23380	40.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1232
Annotation	Aphyllodenticulide
Peak:m/z	Relative Intensity
51.60407	0.4
54.68243	0.5
55.34627	0.4
57.01522	0.4
57.03450	3.0
57.46741	0.5
59.01376	3.4
62.41963	0.5
65.00331	2.2
69.99675	0.9
70.00092	1.8
71.01385	0.9
74.97441	0.6
81.03454	18.5
83.01384	9.0
93.03485	0.6
95.01393	0.6
95.05043	1.0
99.60426	0.5
107.01370	1.8
109.06589	0.8
119.05035	4.0
119.78531	0.5
123.04528	36.9
124.01626	1.9
124.04871	1.6
125.02443	13.2
125.09760	1.4
133.06569	1.0
135.04564	0.9
143.05019	1.2
145.02951	2.8
151.00336	3.6
151.07703	1.0
159.08168	4.3
164.24774	0.4
166.02715	0.6
167.03493	88.2
168.03842	4.0
169.06607	1.7
177.02011	1.0
179.03490	3.0
181.56395	0.5
183.01186	1.3
184.81470	0.5
185.09706	13.8
186.10088	0.6
187.11395	0.9
193.08678	12.0
198.11555	0.6
199.40651	0.5
219.06648	2.1
233.38055	0.5
253.12326	1.5
255.10234	1.2
285.42511	0.6
295.13412	1.8
339.12354	100.0
340.12680	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	339.0718
Annotation	Sinapoyl malate
Peak:m/z	Relative Intensity
54.47383	0.9
70.84273	2.0
70.84612	1.3
71.01381	28.8
72.72923	1.1
85.02963	1.2
91.05554	1.3
115.00372	8.4
121.02958	11.4
133.01419	3.2
135.04474	2.2
137.97319	1.0
147.04518	4.6
149.02440	71.0
150.02739	3.1
153.70119	1.1
160.08472	1.1
163.03989	2.1
164.04785	48.8
165.05103	2.9
179.07101	2.3
193.01369	2.0
208.03719	6.0
223.06102	100.0
224.06425	6.4
224.08295	1.3
243.12639	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33695	0.7
59.01377	4.5
61.98824	1.6
63.02393	13.3
65.00321	21.1
68.38304	0.8
70.71424	1.4
70.71772	1.7
83.01376	13.5
96.82327	0.8
101.02430	1.1
106.04250	2.5
107.01388	33.9
121.02943	9.2
125.02440	1.3
132.05803	30.7
133.06146	2.0
147.04501	11.3
148.04800	0.9
151.00354	75.4
152.00687	2.3
161.09705	7.5
164.04787	14.8
165.01889	2.7
169.01372	4.3
177.01878	9.1
183.01173	2.5
187.11263	73.5
188.11581	5.9
193.10248	4.2
207.11845	1.0
211.04187	0.8
213.09232	1.7
251.07193	1.1
251.10709	3.7
295.09778	10.8
296.09970	1.6
339.08691	9.5
339.12329	100.0
339.15854	3.7
340.08978	1.4
340.12674	11.7
342.25137	0.9
350.72351	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.0
59.01378	2.5
61.98826	0.6
65.00308	1.9
68.40936	0.4
70.01501	1.8
71.01376	0.5
76.25842	0.4
79.05511	0.8
81.03449	19.8
81.94023	0.4
83.01385	12.5
95.05022	0.6
99.04505	0.6
107.01395	1.8
120.76656	0.4
123.04517	35.7
124.04822	1.0
124.19141	0.5
125.02438	15.2
126.02744	0.4
131.87976	0.4
135.04492	0.7
143.04973	0.8
146.94438	0.4
149.02403	0.6
151.00357	2.9
154.43701	0.4
159.08170	4.0
166.02737	0.6
167.03484	100.0
168.03845	4.7
169.06596	1.5
179.03453	2.3
183.01187	2.3
185.09698	10.5
186.10040	1.0
187.11314	0.5
255.10197	0.8
295.13336	0.5
307.95923	0.4
339.12375	41.3
339.16248	4.1
340.12711	4.5
340.16541	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0718
Annotation	Sinapoyl malate
Peak:m/z	Relative Intensity
59.01376	56.7
60.37229	3.9
71.01379	52.3
74.54094	4.1
85.02945	21.0
87.00861	3.6
93.68415	4.0
94.20529	3.8
96.95977	7.1
98.20682	10.7
109.02953	14.7
115.00359	47.9
121.02936	12.8
133.00473	6.2
133.01425	92.7
133.02927	8.4
135.04521	32.2
139.08636	4.1
142.34694	3.6
147.04463	5.6
149.02431	94.0
150.02794	5.3
157.02997	4.8
159.04500	11.0
159.55241	3.6
164.04779	84.6
165.05112	5.2
177.01860	12.8
179.07104	8.7
183.59485	3.7
213.33974	3.7
223.06075	100.0
224.04617	4.4
229.01361	12.5
249.05672	5.0
251.03369	7.2
253.05011	5.2
256.99045	4.4
267.06555	14.7
277.04990	12.0
279.03119	6.6
280.03690	36.6
293.04684	7.0
295.06165	40.0
295.09207	6.2
311.05499	5.3
339.04904	50.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0718
Annotation	4-O- beta -D-glucosyl-daphnetin
Peak:m/z	Relative Intensity
50.70278	0.3
55.81466	0.4
59.01362	1.1
65.00323	1.0
65.03952	1.3
67.01867	0.9
68.99868	0.4
69.19550	3.9
71.01363	0.6
76.20644	0.3
80.02676	0.8
82.47607	0.3
88.89839	0.4
91.01891	56.2
92.02224	1.5
108.02169	1.2
109.02947	16.2
121.02956	1.5
123.04483	0.4
133.02934	1.4
135.00880	100.0
136.01286	3.4
137.02469	3.6
147.04498	0.5
148.01634	0.6
149.02428	1.2
153.01927	62.5
154.02269	2.7
161.02428	2.1
163.03970	0.5
177.01903	1.4
188.85321	0.4
189.01915	1.2
253.90073	0.4
279.05057	1.6
292.46365	0.4
292.96494	0.4
297.06140	1.2
339.07172	28.4
340.07455	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	339.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72855	0.2
57.94511	0.2
70.98138	0.3
76.29314	0.2
81.03471	0.4
89.03973	1.9
93.03436	0.3
104.02695	0.6
105.03460	3.0
109.02934	0.2
128.81755	0.2
133.02953	7.1
134.03287	0.3
148.01685	0.7
149.02428	0.6
176.01180	1.5
177.01923	100.0
178.02272	5.2
219.03065	0.4
339.07175	11.4
340.07635	1.0
348.64371	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2385
Annotation	2alpha,3alpha-Dihydroxycativic acid
Peak:m/z	Relative Intensity
57.03442	14.8
59.01389	14.0
61.98795	2.6
69.07104	2.6
71.05022	40.5
71.50240	3.2
73.41758	2.4
87.04520	39.7
88.92365	2.5
99.04464	2.5
116.77213	2.8
137.09763	3.2
152.00645	2.5
153.12837	21.7
175.04066	2.9
191.05573	5.0
193.15904	8.3
193.65335	3.1
209.81700	2.6
235.20638	13.8
275.23819	21.8
293.24988	6.5
337.10922	13.3
337.20569	3.5
337.23843	100.0
338.23926	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	339.0638
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	67.7
64.91951	12.9
69.43530	14.9
70.65329	31.4
71.01385	34.3
73.70291	13.9
82.90745	13.2
91.01870	27.2
135.00879	80.3
148.59102	12.6
149.02510	14.9
153.01912	42.0
157.08669	14.0
161.02481	25.7
161.06143	63.7
176.04736	21.0
177.01910	29.4
199.09660	18.9
201.01950	37.6
205.05086	46.2
209.01265	12.0
209.28786	12.2
265.02869	16.3
281.08249	70.7
293.08414	31.2
294.08536	15.7
308.10571	20.0
309.07587	100.0
321.07846	15.1
324.09909	47.0
339.08527	24.1
339.12430	58.8
339.32739	13.2
340.09232	14.9
340.81766	17.2
350.49936	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	339.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60791	0.2
59.01371	0.6
65.75121	0.2
70.08091	0.9
81.03467	0.4
89.03983	1.8
104.02677	0.5
105.03463	3.4
106.03818	0.3
107.01415	0.2
109.02943	0.2
112.29128	0.2
113.67225	0.2
133.02965	9.0
134.03249	0.3
145.56947	0.2
147.04524	0.7
148.01627	1.1
149.02457	1.0
176.01134	2.6
177.01932	100.0
178.02274	5.1
179.16386	0.2
191.03517	0.6
219.02979	2.1
266.92200	0.2
339.07193	11.2
340.07532	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
70.24561	0.7
70.24941	0.6
71.44834	0.3
78.29427	0.3
79.58189	0.2
109.16061	0.3
132.02225	0.5
133.02942	1.1
181.06291	0.3
183.04663	0.3
189.01909	0.4
209.06122	0.3
225.05565	1.2
226.06436	0.6
237.05519	1.2
238.06378	1.6
240.03973	0.4
253.05051	5.2
254.05789	3.5
265.05002	0.8
281.04562	8.9
282.05338	9.4
283.05524	0.8
286.04880	0.5
293.04529	10.6
293.11856	0.4
294.04901	1.2
307.06174	0.4
314.04306	11.7
315.04559	0.8
321.07553	1.6
322.08319	0.9
337.10815	100.0
338.07083	0.6
338.11145	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	337.1082
Annotation	Tuberosin
Peak:m/z	Relative Intensity
54.18265	0.3
57.03436	0.8
57.46662	0.3
59.01374	1.3
63.02395	1.8
65.00336	1.5
65.28723	0.3
71.08295	0.4
71.08614	0.4
72.79809	0.2
83.01372	0.5
91.01904	0.8
107.01386	1.5
125.06109	0.4
135.00874	0.8
143.05008	0.3
145.02945	2.1
147.04591	0.5
151.00333	0.6
167.05061	0.5
171.04478	0.4
181.06548	0.6
191.05603	0.5
193.15990	0.5
195.04568	0.5
201.09221	1.5
203.10782	0.4
205.13365	0.3
208.05272	0.7
209.06027	0.8
210.06877	0.3
211.03998	0.7
213.05656	0.3
223.03934	0.3
223.11378	0.3
223.16985	0.3
223.78528	0.3
224.02684	0.3
224.04796	0.7
225.05519	0.5
225.09140	0.5
227.10735	1.1
237.05588	1.1
239.03377	0.5
251.10834	0.4
253.05086	0.5
259.09726	0.3
267.02939	0.9
268.03720	1.0
269.04401	0.3
269.11798	0.6
281.04541	19.9
282.04977	2.5
293.04581	8.7
294.05096	1.5
307.06174	0.7
319.05908	0.3
335.09283	0.7
337.10800	100.0
337.23880	2.3
338.11154	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	337.1083
Annotation	Vismiaguianin A
Peak:m/z	Relative Intensity
53.76003	0.3
58.99124	0.2
59.01372	1.0
69.78465	1.5
70.97414	0.2
70.97868	0.3
75.74738	0.3
88.64182	0.3
96.96032	0.3
132.02173	0.4
133.02948	0.9
135.04512	0.5
147.00874	0.5
157.06566	0.4
159.04546	0.6
161.02412	0.7
175.04001	0.8
175.07570	1.4
189.01947	0.8
191.05644	0.6
196.05344	0.3
198.06822	1.1
201.05530	0.7
209.06111	0.7
213.05547	0.7
224.04765	0.4
225.05540	3.0
226.06357	2.6
237.05574	1.2
238.06418	0.7
240.04109	0.4
240.40573	0.3
253.05029	5.5
254.05690	1.0
265.05069	1.0
269.04565	0.4
281.04532	3.3
282.05322	12.0
283.05731	0.9
293.11725	0.4
298.49542	0.3
309.11365	0.5
314.04333	19.4
315.04807	1.5
321.07745	0.7
337.10815	100.0
338.07092	0.6
338.11157	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.2
61.98820	1.5
63.02390	9.9
65.00319	17.4
70.62560	2.7
71.01370	1.0
73.74606	1.0
78.95880	1.0
79.05495	1.0
83.01388	9.8
93.03481	1.5
96.95975	2.2
104.72584	0.9
107.01385	23.7
108.04572	1.2
125.02435	1.8
143.04956	1.1
151.00352	75.4
152.00728	2.5
157.06573	1.1
159.08121	5.1
165.01915	2.2
167.03487	1.0
169.01421	3.8
169.06573	16.6
170.07382	1.0
177.01906	4.4
183.08096	2.2
185.09694	100.0
186.10059	6.7
191.05533	1.6
211.07651	1.0
221.32602	0.9
267.06393	1.1
337.10788	79.0
337.14194	4.0
338.11151	10.9
338.15054	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	337.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
62.35852	0.3
63.02398	2.3
65.00329	1.1
70.50822	0.8
70.51218	0.6
75.54648	0.3
82.79228	0.3
89.00330	0.4
91.01881	1.2
93.84914	0.3
107.01377	1.6
135.00826	0.5
145.02939	2.3
147.04556	0.6
151.00362	0.7
167.04988	0.6
171.04422	0.6
181.06631	0.5
193.06572	0.5
195.04482	0.6
201.09190	1.3
203.10757	0.5
208.05324	0.7
209.06026	1.2
211.04021	0.7
223.03992	0.5
224.04861	0.6
227.10706	0.9
237.05620	1.2
239.03503	1.1
249.05608	0.5
253.05057	0.9
267.02869	0.7
268.03629	0.7
281.04544	21.1
282.05072	2.8
293.04535	8.8
294.05130	1.4
305.04614	0.4
314.04517	0.4
337.10785	100.0
338.11081	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	337.1081
Annotation	Crotalarin
Peak:m/z	Relative Intensity
51.92157	0.3
57.06873	0.3
59.01372	1.4
61.98811	0.3
63.02393	0.4
65.00323	2.0
66.00528	0.3
70.73202	0.7
70.73532	0.3
71.01380	0.3
80.75131	0.3
93.03476	0.3
96.96008	0.5
105.56339	0.3
109.06580	0.8
117.03460	22.3
118.03809	0.5
120.93940	0.3
131.08690	0.4
133.06586	3.6
135.00848	0.7
148.01663	0.9
149.02431	0.5
149.06126	0.3
151.07669	1.3
159.04526	0.8
160.84404	0.3
161.02428	4.1
162.03065	0.4
163.00352	2.6
173.02382	0.4
174.03207	1.0
175.00227	0.4
175.07640	1.5
176.01094	1.7
185.02357	0.3
189.09213	0.8
211.03964	0.4
217.08635	2.9
219.06604	4.4
220.06955	0.3
224.04869	0.6
225.05450	0.4
237.05536	0.3
239.03406	0.4
240.04099	0.6
241.33597	0.4
253.05028	1.0
254.05905	0.4
267.02863	0.5
268.03748	2.5
281.04556	9.4
282.05255	2.3
293.04541	13.2
293.11795	1.0
294.05255	2.9
314.04269	2.1
337.10785	100.0
338.11127	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	337.1078
Annotation	Vismiaguianin A
Peak:m/z	Relative Intensity
59.01374	2.1
60.59044	0.4
71.01388	0.7
71.50447	0.7
74.89073	0.4
87.47385	0.4
101.02430	0.5
105.11926	0.5
114.75346	0.5
114.98370	0.4
123.93476	0.5
131.05029	1.0
133.02940	3.0
140.07019	0.5
147.04465	1.1
175.03998	17.7
176.04388	0.7
191.05559	1.8
194.27538	0.5
225.05400	0.5
237.05457	1.6
238.06296	1.3
253.05032	5.3
254.05769	3.4
263.03360	0.5
281.04538	9.1
282.05286	8.8
286.04880	0.7
293.04575	10.8
293.18417	0.5
294.04849	1.2
314.04285	10.9
315.04700	1.0
321.07526	0.7
337.10803	100.0
337.23883	1.7
338.11127	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	337.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39013	0.3
53.51157	0.2
55.72932	0.2
59.01380	1.5
59.99086	0.3
66.39993	0.3
67.01876	0.9
69.13377	2.7
70.81363	0.2
71.01383	0.9
73.02941	0.4
81.03453	0.6
83.05000	0.3
85.02947	8.1
87.00866	2.9
88.56301	0.3
93.03455	6.8
98.19915	0.5
104.30087	0.3
109.02974	0.7
111.04524	1.5
117.86938	0.3
119.05003	2.2
127.04016	2.1
145.02939	1.1
163.03989	2.2
171.02977	0.5
173.04536	2.4
191.05606	100.0
192.05957	3.9
276.69696	0.3
337.09479	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	337.0929
Annotation	4-Methylumbelliferyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.02370	0.3
59.01363	0.4
65.03953	0.1
65.74983	0.1
67.01881	1.7
71.51402	0.1
72.62949	0.1
77.28977	0.1
79.01904	0.2
89.03975	0.5
96.95991	0.1
97.06483	0.1
102.04755	0.4
103.05560	0.9
105.03490	0.1
107.01375	0.4
119.05023	0.9
121.02918	0.1
130.04230	0.8
131.05034	4.4
132.02136	0.3
132.05396	0.2
133.02957	10.0
134.03278	0.4
143.05035	0.1
145.02971	0.3
146.03755	0.2
147.04523	5.8
148.04869	0.3
160.01642	0.4
171.04366	0.1
173.02304	0.1
174.03297	0.5
175.03993	100.0
176.04338	5.1
176.05922	0.2
177.05502	0.1
188.01161	0.4
188.47131	0.1
189.05702	0.1
191.05655	0.2
199.04002	1.8
200.04170	0.1
217.05170	0.2
282.05255	0.2
293.04611	0.5
294.05344	0.2
337.06873	0.5
337.10898	1.1
338.07501	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	337.0774
Annotation	L-Ascorbic acid-2-glucoside
Peak:m/z	Relative Intensity
51.41746	0.7
57.03426	0.9
59.01361	2.4
68.99804	4.0
69.03461	0.9
71.01377	3.6
71.48576	1.2
72.99313	1.4
73.02919	1.6
75.00875	1.8
75.89751	0.9
82.45525	0.7
83.01373	1.5
85.02936	6.8
87.00867	2.3
89.02435	1.3
94.61520	1.0
95.01396	1.8
99.00877	5.9
101.02424	1.4
102.09823	0.8
111.00863	1.9
113.02440	7.6
113.99579	20.4
115.00371	6.1
127.00349	3.3
129.01920	2.8
139.00406	1.0
149.04552	0.9
157.01384	4.8
161.80696	0.9
169.01421	1.5
174.01671	18.4
175.02356	1.6
277.05615	21.8
277.08649	1.3
278.06012	1.3
337.07724	100.0
338.08081	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	337.0928
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
51.10496	0.4
59.01357	2.0
60.99302	1.3
67.01888	3.8
69.03463	0.9
71.01380	1.9
73.76237	0.3
77.48819	0.4
81.03472	1.0
85.02948	5.5
87.00874	6.0
93.03459	19.2
94.03812	1.0
99.00854	0.5
99.04501	0.8
109.02944	1.1
111.04532	3.6
113.02448	0.5
119.05027	8.0
127.04004	1.4
145.02940	1.5
155.03503	1.0
163.04018	8.0
173.04539	11.2
191.05609	100.0
192.05922	4.8
241.66637	0.4
312.64529	0.5
337.09283	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	337.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.5
56.85124	0.4
57.03439	0.8
59.01375	3.1
68.99817	2.9
69.03442	1.2
70.25089	1.3
71.01383	4.1
72.99309	0.7
73.02943	1.3
74.10368	0.4
75.00866	1.5
76.43176	0.4
83.01369	1.8
83.33476	0.4
85.02944	6.9
85.03435	0.3
87.00862	3.6
89.02447	1.2
95.01365	1.1
96.99274	0.4
97.02939	0.7
98.19936	0.3
99.00875	5.4
101.02444	2.5
111.00871	1.7
111.97169	0.4
112.98765	0.6
113.02435	7.2
113.99586	17.6
115.00375	8.2
119.62333	0.4
127.00372	2.6
129.01947	2.0
139.00406	1.0
141.01976	1.0
157.01422	4.5
161.04637	0.6
169.01433	1.9
174.01695	18.7
175.02475	4.2
277.05624	18.8
278.05930	0.6
337.07745	100.0
338.08072	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	335.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49763	5.6
59.01384	80.7
64.44708	5.5
71.05120	10.8
71.92385	5.0
90.87620	5.3
93.28425	4.8
99.00639	18.1
132.43404	6.2
183.02995	5.7
205.15878	6.6
253.21733	100.0
254.22128	8.2
335.22043	85.2
336.22733	7.0
359.34924	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	335.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01070	1.0
59.01375	17.7
71.50195	1.0
93.53957	0.6
104.59263	0.7
129.52260	0.8
147.22121	0.6
227.14583	0.8
246.89029	0.6
253.21701	100.0
254.22034	8.3
304.01978	0.7
335.22025	16.6
335.26132	0.9
336.22260	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	335.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.7
69.47675	2.4
69.48087	2.3
71.01397	1.6
80.05061	5.9
92.05087	2.5
94.02930	0.7
94.06631	13.6
97.62041	0.8
107.03793	1.9
108.04568	16.3
109.05330	1.1
110.06128	3.1
112.06275	0.7
120.04568	10.6
122.02506	5.8
122.06144	4.5
124.04047	1.4
124.07677	5.4
135.04601	1.2
136.04041	3.1
138.05621	9.0
148.04054	5.6
150.05623	6.5
152.07199	1.4
166.05103	88.3
167.05363	3.3
182.04532	1.6
186.62592	0.7
194.04570	4.0
210.04085	100.0
211.04391	3.5
215.11925	3.3
226.11125	0.8
247.05473	1.6
264.33310	0.8
273.12305	1.3
291.12943	1.1
317.11316	2.8
335.12555	19.1
335.20648	0.9
336.12790	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	335.0921
Annotation	Clandestacarpin
Peak:m/z	Relative Intensity
72.35309	0.5
93.03465	1.5
98.19931	1.0
117.03458	7.0
119.05051	1.7
123.04523	0.6
129.07120	0.8
131.05017	1.0
132.02106	0.6
133.02959	0.8
145.06621	0.6
149.06062	0.6
155.05040	0.8
157.06537	0.5
159.04475	1.2
171.04491	0.8
172.05336	0.7
173.06052	6.8
186.32809	0.5
187.03967	0.8
187.07614	0.7
196.05125	0.6
197.06024	0.6
199.04001	1.5
201.01900	0.6
211.03825	0.6
213.05638	0.8
214.06255	1.1
215.03470	1.7
224.04620	0.8
227.03447	2.6
238.02658	0.7
241.04987	1.2
242.05804	1.1
252.04321	1.3
261.05344	1.0
261.09274	0.7
263.07089	0.9
275.07068	2.3
279.10229	1.4
280.03735	6.3
281.04184	0.6
289.08807	0.8
291.06631	1.7
291.10190	2.2
292.03784	1.9
292.07016	0.7
305.04489	1.5
307.09625	1.4
317.08212	2.1
319.06039	1.9
320.06860	2.1
334.08380	0.9
335.09229	100.0
336.09552	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	335.0924
Annotation	Yinyanghuo C
Peak:m/z	Relative Intensity
53.48926	0.3
56.85263	0.3
59.01371	0.4
59.31044	0.3
59.76303	0.3
61.98843	0.3
63.02392	3.0
65.00329	2.0
70.16568	1.0
76.10496	0.3
83.01400	0.8
89.00343	0.4
89.20105	0.3
89.99484	0.3
91.01903	0.7
95.01354	0.5
98.20627	0.4
107.01408	2.9
108.02171	0.4
108.04536	0.4
125.02430	0.3
129.94980	0.3
133.02946	0.4
135.00923	0.3
136.01672	0.5
138.23604	0.3
148.01631	1.0
151.00362	3.8
157.06621	0.3
161.89464	0.3
167.05005	1.3
169.02994	0.5
171.08150	0.4
176.01131	2.5
177.01915	1.1
181.06561	1.0
183.04370	0.3
183.08127	1.0
197.06070	0.5
199.07643	1.2
201.09192	0.3
207.08151	0.7
225.09203	0.9
231.08060	0.5
247.07689	0.7
249.09004	0.7
251.07071	0.5
253.04953	0.4
261.05576	0.5
261.09326	0.3
264.07690	0.4
273.09134	0.4
274.06137	0.3
275.07294	0.5
276.07999	0.3
277.04965	1.1
288.07770	0.3
289.08783	0.5
291.06656	4.5
292.07388	0.4
293.04504	0.7
293.07922	0.4
305.04541	20.3
306.04904	2.3
317.08160	6.0
318.08566	0.6
319.06091	17.5
320.06784	7.5
321.07184	0.8
333.07831	1.4
335.09229	100.0
336.09558	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	335.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69272	0.3
63.02396	1.3
65.00332	0.8
66.35010	0.2
69.77621	0.4
69.78034	1.2
83.01359	0.7
107.01386	1.2
109.02958	0.4
117.03462	0.5
125.02388	0.6
135.00902	0.5
143.11186	0.3
148.01604	0.6
151.00363	1.8
167.05035	0.7
176.01115	1.8
177.01880	1.0
181.06566	0.7
183.08105	0.7
190.02689	0.3
197.06229	0.3
199.07585	0.5
207.08109	0.3
225.09132	0.7
231.98802	0.3
240.17610	0.3
249.09256	0.3
253.04926	0.5
273.18637	0.7
277.05127	0.5
279.06396	0.3
290.47098	0.3
291.06537	2.6
292.07175	0.5
293.07980	0.5
305.04532	14.0
305.08124	0.7
306.04868	1.3
317.08148	4.3
318.08542	0.7
319.06082	11.7
320.06769	6.1
321.07419	0.5
333.07574	0.7
335.09216	100.0
336.09558	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.9
57.18499	0.8
57.79650	0.9
59.01377	100.0
60.01717	1.3
64.08636	0.8
71.01383	14.1
73.02948	3.7
74.02487	1.2
83.67955	0.8
84.24829	0.9
85.02947	3.8
89.02445	2.4
97.06573	1.7
98.20644	3.4
99.00913	1.0
101.02454	5.7
113.02425	3.4
115.00367	1.8
116.05014	1.7
117.05376	1.6
119.03472	1.2
122.06127	2.1
127.05112	1.8
128.03519	15.2
129.03893	6.1
134.03763	1.2
135.04518	35.9
136.04860	2.7
141.05553	1.7
141.06660	1.1
143.06984	1.2
161.04549	3.6
167.04602	1.0
179.03499	12.4
183.09557	0.9
202.08742	1.3
203.08206	2.2
204.08582	4.7
215.09175	1.6
228.10275	1.9
256.08588	1.6
259.07208	0.9
271.10736	9.3
274.01154	3.4
280.81281	1.0
289.11813	1.2
291.14478	5.3
333.11136	1.6
333.15475	3.3
333.19171	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	333.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.0
69.16941	0.4
69.28772	3.4
71.01369	0.8
71.28329	0.4
78.03493	1.2
81.33138	0.4
85.02971	0.6
92.05054	2.2
94.02982	0.5
94.06628	4.8
101.02425	0.8
104.05067	3.2
105.03463	3.0
106.06635	13.4
107.03794	0.6
107.07007	0.4
108.04555	1.7
120.04562	6.7
121.05344	0.8
122.02467	0.9
122.06129	15.7
123.03288	2.4
123.04343	0.4
123.06544	0.4
124.07678	0.9
131.03732	1.0
132.04561	7.9
135.03294	0.9
136.04077	0.5
138.05620	24.6
139.05949	0.7
148.04089	1.0
150.05600	2.9
152.11758	0.4
166.05090	1.0
173.08424	0.6
174.12941	0.9
184.11270	0.7
189.07956	1.1
213.06668	1.3
215.11919	1.4
217.07404	1.6
226.07259	0.4
229.09769	1.0
231.09044	0.7
231.11365	0.7
241.09831	3.1
243.11337	1.6
259.11020	0.6
271.10809	0.6
289.11951	100.0
290.12283	8.9
298.73633	0.5
333.10809	7.3
334.11169	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01545	17.8
60.33976	15.6
61.98835	74.4
65.75203	17.0
69.33691	100.0
93.46993	14.8
118.62973	14.8
151.04109	15.0
177.61804	15.5
197.03754	19.7
222.80658	14.6
269.08249	41.2
340.80240	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	332.125
Annotation	Oglufanide
Peak:m/z	Relative Intensity
55.90908	0.6
59.01379	32.0
69.61012	3.1
71.01382	6.9
72.00903	2.0
72.99332	0.6
73.02952	0.7
74.02467	7.9
81.48980	0.5
82.02974	3.1
84.03191	0.6
84.04544	2.0
85.02964	1.3
85.04070	1.5
89.02422	1.0
97.06587	0.6
98.20621	0.6
101.02440	1.9
101.07221	1.4
101.64545	0.5
109.02955	0.7
109.04048	1.0
113.02459	1.6
113.07182	0.6
115.00375	2.0
116.05064	15.8
122.06120	1.0
123.05627	0.9
127.05140	8.3
128.03540	100.0
129.03883	2.4
134.03612	0.6
135.04526	19.0
136.04868	5.5
138.05589	0.7
141.06697	7.7
142.06636	4.3
146.04605	0.5
159.09286	4.3
161.04639	1.0
167.04613	10.3
168.04892	0.6
174.27223	0.6
179.03500	6.9
180.03827	3.0
185.05653	4.4
186.05597	1.4
203.08257	32.0
204.08589	2.0
228.10379	0.8
265.29227	0.6
268.97900	0.7
270.12473	2.6
271.10889	4.6
274.01114	0.9
289.11877	0.7
291.14648	2.1
314.11447	10.9
332.12488	5.0
332.16223	0.8
333.19098	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0669
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
69.03442	2.3
70.76795	0.8
79.01847	0.8
81.03445	1.4
83.01394	0.8
83.06652	0.6
95.01363	1.3
97.02930	2.2
101.95329	0.7
107.01408	1.5
114.17181	0.8
123.00890	3.5
124.01670	15.4
125.02450	60.0
126.02787	2.1
126.28400	0.7
132.73161	0.7
149.99586	29.0
151.00279	2.4
153.01958	0.7
167.03534	0.8
168.00644	61.5
169.01385	6.8
193.14485	0.6
202.18416	0.7
313.05634	8.2
331.06689	100.0
332.06989	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	331.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70893	1.7
59.01377	8.1
63.91580	1.9
71.01380	2.7
71.39413	2.1
75.79871	1.5
84.59888	1.9
89.76289	1.6
108.04590	2.2
118.06590	3.1
120.04571	3.1
132.04500	4.8
138.05574	12.9
158.96109	1.8
164.07144	48.1
171.10176	2.7
172.07648	2.1
184.11293	4.3
185.11896	1.9
188.45700	1.6
197.07169	4.1
199.13358	7.4
200.07143	5.6
201.11333	3.4
202.08752	6.3
208.06139	6.8
211.08736	2.1
212.10870	2.5
214.08810	2.7
216.10271	4.4
228.10286	3.3
229.10837	2.2
229.14494	4.8
239.08238	20.9
240.08594	2.0
244.13351	20.6
253.09769	5.3
254.10555	19.2
255.10895	1.9
259.08456	9.3
263.87607	1.6
269.09293	2.0
288.12399	100.0
289.12726	8.4
298.09686	3.4
299.14230	1.9
313.11902	71.3
313.24142	3.9
314.12268	7.9
331.13055	18.3
331.24857	58.9
331.28189	1.3
332.13330	2.9
332.25226	3.5
341.25806	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	331.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46712	1.3
59.01376	2.1
63.80667	1.2
71.01379	17.0
76.77488	1.1
81.03461	1.5
83.05006	2.5
86.05613	1.2
125.09723	1.1
125.99353	3.9
141.09210	6.3
161.68919	1.1
165.01659	8.9
165.08897	1.7
180.76421	1.1
181.08418	2.9
183.09996	1.4
191.06982	1.3
193.08452	15.7
194.08794	2.0
197.07924	1.6
209.07878	7.5
221.06001	1.1
221.07857	6.7
222.08716	100.0
223.09488	48.4
223.11438	1.0
224.09897	2.3
225.07370	2.3
227.09042	1.6
249.76611	1.2
254.07663	8.5
302.94604	1.3
303.19412	3.3
313.17834	4.4
331.15219	2.3
331.18857	26.5
332.19354	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.138
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77810	0.8
56.34548	0.7
57.03436	1.4
59.01374	1.6
71.01389	2.3
71.50555	1.3
72.40980	0.6
84.04544	25.5
84.69917	0.7
95.20065	0.8
100.05333	0.8
101.02438	0.9
119.19418	0.7
120.01248	1.0
122.06135	2.3
126.99583	1.0
136.73347	0.7
137.09708	2.1
155.10855	4.4
162.02303	100.0
163.02634	2.6
201.09590	1.2
225.05376	0.8
331.12943	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	331.0226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82763	0.7
54.00724	0.7
59.01359	1.7
65.68705	0.8
67.60210	0.7
69.99104	3.7
71.01018	1.0
71.01383	12.0
73.02927	1.0
74.02495	1.0
84.08671	0.8
85.02957	0.8
86.97564	0.8
93.03369	0.8
101.02359	0.9
107.05052	1.2
109.02914	1.2
111.00916	0.8
114.99830	0.7
115.00399	7.1
123.07888	0.7
126.03242	1.8
127.04007	1.2
133.01367	1.0
133.02953	1.8
134.03723	2.5
135.04527	100.0
136.04843	3.0
149.02411	1.3
153.05574	2.4
179.03496	41.1
180.03844	1.5
246.03934	0.9
268.31635	0.8
278.60675	0.7
295.04517	0.9
316.82315	1.0
322.72131	0.8
331.09973	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82763	0.7
54.00724	0.7
59.01359	1.7
65.68705	0.8
67.60210	0.7
69.99104	3.7
71.01018	1.0
71.01383	12.0
73.02927	1.0
74.02495	1.0
84.08671	0.8
85.02957	0.8
86.97564	0.8
93.03369	0.8
101.02359	0.9
107.05052	1.2
109.02914	1.2
111.00916	0.8
114.99830	0.7
115.00399	7.1
123.07888	0.7
126.03242	1.8
127.04007	1.2
133.01367	1.0
133.02953	1.8
134.03723	2.5
135.04527	100.0
136.04843	3.0
149.02411	1.3
153.05574	2.4
179.03496	41.1
180.03844	1.5
246.03934	0.9
268.31635	0.8
278.60675	0.7
295.04517	0.9
316.82315	1.0
322.72131	0.8
331.09973	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2332
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
57.03429	1.0
59.01371	1.1
61.98815	0.5
69.03461	0.6
70.30685	0.4
70.31056	0.9
71.05022	0.5
75.08931	0.3
76.07991	0.3
83.05011	0.8
84.02174	0.4
85.02947	0.6
95.04955	0.3
97.06592	0.5
98.20017	0.3
99.08156	6.9
125.09692	1.5
127.11285	3.8
129.09282	0.3
137.09714	0.7
139.11282	8.0
140.11580	0.3
145.72194	0.2
154.66783	0.2
155.10760	0.8
155.14415	0.9
157.12328	0.8
165.12814	0.6
167.14420	1.1
171.10265	18.6
172.10577	1.2
180.39575	0.3
180.48576	0.2
183.12404	0.5
183.13892	5.4
193.12334	1.7
201.11290	0.7
209.11813	1.2
211.13385	27.6
212.13751	1.8
229.14424	15.4
230.14796	0.8
293.21292	0.7
311.22238	1.1
329.23303	100.0
330.23660	10.1
330.27673	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.0
59.01367	3.1
66.15668	0.8
69.31711	7.6
69.32017	0.7
71.01389	1.3
71.33643	0.9
84.04549	25.6
85.02959	1.1
98.20596	1.8
100.05299	2.7
101.00660	7.7
101.02469	0.8
114.77634	0.8
122.06119	5.3
123.03320	0.9
131.05336	3.5
134.06137	1.4
137.09709	5.2
138.05560	1.0
139.62144	0.9
152.07193	2.0
152.55768	0.9
155.10768	9.7
161.04536	0.9
162.02296	100.0
163.02669	3.9
166.05080	1.7
179.03470	0.9
199.03967	1.2
201.09552	2.1
241.14438	3.0
270.05103	1.4
285.07584	2.5
300.10077	3.2
331.04767	1.0
331.12881	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	329.139
Annotation	Macquarimicin A
Peak:m/z	Relative Intensity
59.01385	1.0
59.85247	0.6
63.96220	0.8
69.03453	1.7
69.54482	1.5
69.54900	2.6
71.01395	2.1
74.00688	1.4
74.99534	0.6
82.02972	1.2
93.03472	1.9
98.19222	0.6
99.17591	0.6
100.45506	0.6
103.02248	1.2
106.06633	2.2
109.02953	1.9
111.02804	0.7
116.01752	5.2
121.02953	26.1
122.06072	0.7
132.04544	5.3
134.06097	6.2
135.04549	4.5
147.04501	9.0
158.03638	0.9
159.04509	5.2
160.04047	3.3
160.05327	4.0
161.04831	7.6
161.06082	1.4
162.05586	14.8
163.03928	1.0
164.04816	0.8
168.03059	1.3
175.04039	1.0
175.07603	4.1
177.01059	1.4
177.05542	1.1
178.01788	1.8
178.06357	1.3
179.03600	0.9
182.45277	0.6
191.74040	0.6
192.07924	1.3
193.03775	8.7
194.04239	0.6
196.05307	1.4
209.06177	0.7
210.06702	1.0
211.04134	1.0
212.04764	5.0
212.06796	0.6
212.09164	0.6
214.08806	1.2
222.06921	1.4
223.07700	1.7
225.05513	0.9
225.09265	0.7
226.06393	2.2
227.10817	1.0
235.07718	0.6
237.05464	1.3
239.03545	1.0
240.04259	4.9
241.06436	1.3
241.08852	2.3
242.11847	1.0
243.10179	1.1
250.11282	0.7
251.07141	1.9
252.08022	0.6
253.05121	0.7
253.08745	2.7
254.05850	7.7
255.06384	1.1
255.10365	1.6
257.09357	1.7
263.07251	1.0
268.07370	2.4
268.09930	0.8
269.08142	66.7
270.08493	6.0
271.09750	8.0
272.10226	0.8
281.08188	10.8
282.08920	2.2
283.09723	4.3
285.07730	0.9
285.12424	17.3
285.15283	0.9
286.04843	1.2
286.12799	1.7
298.08557	1.6
299.09204	51.4
300.09509	4.2
311.10565	2.2
313.10834	2.1
314.07596	1.0
314.08292	0.7
314.11560	73.0
315.11975	7.7
329.14053	100.0
330.14453	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	329.1393
Annotation	Macquarimicin A
Peak:m/z	Relative Intensity
59.01383	1.5
59.03078	0.5
60.00077	0.5
69.35446	3.9
71.01382	0.6
83.65377	0.6
93.03467	1.1
98.19935	1.2
109.02941	1.7
121.02953	27.6
122.06126	1.5
129.18721	0.6
133.02910	0.7
135.04539	3.9
136.07664	1.2
141.95071	0.7
142.39984	0.6
147.04509	9.9
155.10796	0.7
159.04494	2.7
167.07150	0.9
177.05605	0.7
183.04417	0.6
188.57280	0.6
191.07016	0.7
192.07951	1.3
192.09630	0.6
196.05225	1.7
210.06770	1.3
211.03841	0.9
212.04785	5.3
213.01939	1.2
223.07608	2.3
225.05624	0.7
225.09102	0.9
226.06363	1.6
227.10678	1.0
237.05539	1.0
238.06450	1.0
239.03773	0.6
240.04309	5.1
241.08662	2.1
243.10245	1.7
250.06302	1.2
251.07089	2.4
253.05110	1.3
253.08528	3.4
254.05836	8.5
255.06300	0.8
255.10161	1.4
256.07309	1.0
267.06528	1.4
268.07446	1.3
269.08163	73.2
270.08511	6.3
271.09726	7.9
272.09967	0.8
281.08163	12.8
282.08649	1.2
283.09760	3.3
285.12299	1.9
286.04865	1.8
297.00351	2.1
298.08215	0.8
299.09219	54.4
300.09482	3.5
313.10831	1.3
314.11572	69.0
315.11856	6.2
329.13919	100.0
330.14297	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	329.114
Annotation	Miraxanthin-III
Peak:m/z	Relative Intensity
56.08851	1.0
59.01371	1.4
59.26973	0.8
66.28542	0.8
70.60948	2.2
71.01386	1.4
82.02988	8.2
89.03759	0.8
106.06623	10.1
108.04580	1.5
110.02437	2.2
122.06119	2.9
132.04550	36.2
133.05402	4.3
134.06117	41.3
135.06413	1.4
136.04033	3.2
138.05594	1.1
148.04015	1.0
149.04797	4.1
160.04031	20.7
160.05336	1.3
161.04808	48.7
162.05598	96.1
163.05923	3.4
176.03526	2.4
178.05005	0.9
179.03368	1.1
181.60611	0.8
188.03479	1.1
193.03783	50.9
194.04289	2.7
212.07137	6.8
213.07872	3.2
213.09773	0.9
214.08784	6.4
226.08740	2.9
240.10231	1.9
241.06190	8.8
242.11877	5.0
243.11395	4.4
254.06831	1.7
255.07674	2.4
257.09338	12.7
267.11279	0.9
268.09842	5.6
269.09344	6.1
285.12436	86.7
286.12799	7.6
311.10385	11.8
312.10855	1.2
329.11377	100.0
330.11697	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0874
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01367	2.2
70.53047	0.9
70.53362	0.5
71.01386	2.9
73.02917	0.6
85.02947	0.5
89.02425	0.6
95.01329	0.7
108.02169	57.0
109.02447	1.0
109.03077	0.7
111.02023	0.5
115.00370	0.9
122.03746	0.7
123.00940	0.5
123.04518	30.6
125.02422	0.7
133.01410	1.0
133.72017	0.5
135.04478	0.5
147.21463	0.5
149.02501	0.5
151.04007	5.2
152.01144	38.5
153.01506	0.8
162.12689	0.5
167.03488	100.0
168.03824	4.7
194.24437	0.5
195.02994	0.5
196.00810	0.5
213.04041	0.8
306.40219	0.6
329.08719	0.9
346.28821	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0876
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
51.82014	0.3
56.09762	0.3
59.01380	8.4
70.61469	1.0
71.01372	6.0
73.02912	0.4
85.02946	1.4
86.02499	0.4
87.00845	0.4
88.04032	3.5
88.19254	0.3
89.02443	4.5
93.03461	1.2
95.01378	0.8
95.05025	1.1
101.02439	2.7
105.03449	0.6
108.02200	0.5
109.02950	0.8
112.04037	0.4
113.02462	1.3
115.00404	0.5
115.58785	0.3
119.03497	1.5
122.03732	1.4
123.04517	100.0
124.04842	3.6
128.03516	1.1
128.07191	0.6
130.08749	0.5
133.01430	0.7
135.04523	1.1
139.52731	0.3
145.06248	0.5
149.02484	0.6
149.06078	0.8
150.05605	1.5
151.03979	1.5
157.13454	0.4
162.05467	0.3
167.03491	11.1
167.07123	0.6
173.04565	0.5
179.03374	0.5
179.05673	0.5
201.12459	1.5
223.10863	1.6
241.11739	0.6
312.15665	1.7
329.08704	3.5
330.16656	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	329.0213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	46.9
61.98827	3.1
70.60936	0.7
70.61269	1.4
73.20442	0.6
87.00883	1.0
99.02993	0.6
100.68736	0.6
115.02505	1.6
116.23876	0.7
117.00430	5.9
125.00947	1.2
126.98884	1.2
139.31465	0.6
143.01993	3.6
149.61800	0.5
152.24031	0.6
153.00165	0.5
157.03496	1.3
159.01492	67.4
160.01591	4.1
168.99915	5.3
170.97836	8.6
171.98090	0.6
187.00981	100.0
188.00877	8.1
201.02547	14.8
202.02884	1.0
232.98112	0.7
241.00420	0.9
259.01367	0.6
274.99384	4.5
287.00970	1.5
311.00998	1.4
328.96759	1.5
329.02161	3.1
347.68762	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0877
Annotation	Phaseoloidin
Peak:m/z	Relative Intensity
52.88927	0.5
57.03433	0.4
59.01373	2.9
61.01806	0.4
70.52771	1.0
70.53146	0.8
71.01373	7.9
73.02943	2.8
82.09379	0.4
83.01388	0.8
85.02931	3.6
87.00863	1.3
88.04012	1.0
89.02428	1.7
90.93547	0.5
91.99384	0.5
93.03503	0.5
93.24003	0.5
95.01389	1.0
95.05037	0.5
97.02946	0.5
99.00877	1.3
99.04530	0.6
101.02447	5.5
108.02146	3.8
109.02964	2.8
112.31245	0.5
113.02418	4.8
120.25723	0.5
121.02937	2.4
121.06532	0.5
122.03731	100.0
123.04558	24.9
124.04822	1.1
125.02442	1.0
134.06081	0.4
135.04547	2.8
136.07687	0.6
137.02446	1.3
137.06062	1.3
139.03987	0.5
143.03560	0.5
147.04482	1.3
149.02452	0.9
149.06049	1.0
150.03131	0.5
150.05589	5.0
151.03981	1.3
152.01144	1.3
159.02989	1.3
159.04430	0.6
161.04544	7.6
162.03188	1.0
165.05550	7.1
167.03439	6.6
175.03990	0.6
177.05562	4.2
194.08215	0.6
239.05742	0.6
257.52133	0.5
269.90387	0.5
285.09656	2.9
312.10913	1.9
329.05225	0.7
329.08676	3.9
329.18265	0.8
330.12039	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2176
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
55.29247	0.4
57.03439	1.0
58.00590	1.6
59.01379	3.8
69.03457	1.0
69.18740	3.7
71.01395	0.7
73.33199	0.4
76.13615	0.5
83.05040	0.6
85.02946	1.9
97.06602	2.3
97.69913	0.5
109.06579	0.8
111.08154	8.0
126.90505	0.4
127.07631	1.2
127.11286	0.5
137.09688	0.8
149.02425	0.4
151.11316	0.5
153.09232	0.6
153.12820	1.1
163.61450	0.5
165.01924	4.8
169.12360	4.5
171.10268	6.3
181.12360	1.9
183.13855	1.2
183.15459	0.4
185.11848	0.6
197.11821	39.5
198.12187	2.1
199.13406	6.5
203.10628	0.4
209.11798	0.9
211.13353	7.2
221.11867	0.9
227.12895	0.8
229.14413	1.9
232.82327	0.5
239.12817	1.0
239.16536	0.7
291.19598	2.8
309.20685	3.1
327.21741	100.0
328.02054	0.5
328.22058	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	327.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22201	0.9
57.03439	1.0
58.00589	1.8
58.13954	0.9
59.01370	5.8
62.24868	1.0
69.03459	5.1
69.13634	2.2
69.14037	10.9
70.39708	1.0
71.01373	2.0
83.05051	1.1
85.02943	5.4
87.06724	1.1
93.03436	1.0
96.57905	1.0
97.06589	2.9
111.08136	3.2
119.08665	5.3
121.02927	1.1
125.09715	3.2
126.90497	3.4
127.11282	3.7
135.08139	1.9
136.66060	1.1
137.09729	16.5
150.21141	1.0
165.01894	5.3
169.12328	4.1
171.10266	75.6
172.10590	4.7
183.13943	1.7
197.11827	21.5
199.13382	4.2
201.11301	15.8
211.13434	7.7
213.11351	1.7
221.11925	1.1
229.14412	2.5
291.19717	3.7
299.05539	1.1
309.20691	3.2
326.91663	1.5
327.21750	100.0
328.22098	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	327.1083
Annotation	Androsin
Peak:m/z	Relative Intensity
57.03445	2.8
59.01377	100.0
69.03458	2.9
71.01379	49.7
71.49866	2.5
72.99319	4.2
73.02944	54.7
81.03465	1.9
83.01382	16.1
83.66039	1.7
85.02953	11.4
87.00870	1.6
89.02450	10.5
93.03442	5.9
95.01414	2.3
95.05010	1.8
97.02927	2.8
98.98188	1.8
101.02440	49.1
108.02231	1.9
109.02938	10.6
113.02424	14.0
115.00364	6.7
119.03482	2.2
119.05002	3.1
121.02962	6.6
123.04526	9.1
125.02438	3.0
127.90269	2.1
129.01949	3.5
131.03506	3.6
133.01430	11.7
133.02979	3.5
135.04526	21.9
137.02435	6.5
147.04497	2.9
149.02415	28.7
149.04413	3.8
151.04013	2.6
153.09239	2.7
159.04466	2.0
161.02449	2.8
161.04619	8.7
161.05925	2.2
164.04794	3.8
165.01872	6.9
165.05540	10.2
173.38574	1.8
175.03981	4.3
177.01888	5.6
179.03476	8.6
187.03975	2.6
190.96017	1.7
217.04965	2.1
237.05553	2.5
253.05026	4.7
254.05655	3.2
255.06709	2.8
268.07388	2.6
283.10873	4.8
289.07181	9.2
295.06287	2.0
298.04907	2.6
299.05511	2.5
312.09869	4.6
327.05307	14.6
327.08533	3.2
327.11642	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	327.2174
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
55.21829	0.6
55.69231	0.6
57.03437	1.5
58.03539	0.6
58.27512	0.5
59.01363	0.8
69.03447	1.7
69.71313	2.3
69.71720	1.2
71.01387	1.2
73.02921	0.7
83.05007	1.6
85.02945	6.8
86.08853	0.6
95.05009	1.7
97.02956	1.1
97.06598	4.6
119.73775	0.6
125.09689	1.8
127.11252	2.1
137.09695	0.7
137.84985	0.7
155.14381	0.8
165.12813	0.6
167.10791	1.1
171.10266	13.1
177.12813	0.6
183.13861	5.4
185.11836	1.8
193.12311	1.5
209.11786	1.9
211.13377	26.4
221.11826	3.3
229.12323	1.3
229.14410	13.0
230.14700	1.3
236.04013	0.7
239.12830	2.3
291.19644	3.1
309.20755	1.1
327.21729	100.0
328.22058	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1084
Annotation	Androsin
Peak:m/z	Relative Intensity
55.38564	0.3
59.01382	2.1
69.69239	0.3
71.01375	4.2
71.31525	0.7
73.02937	1.1
77.03965	0.6
81.35953	0.3
83.01379	0.4
83.08042	0.4
85.02953	3.5
87.00883	4.4
89.02444	0.7
89.16129	0.4
93.03469	1.3
95.01385	0.9
95.05013	0.6
99.00902	0.7
101.02431	1.9
108.02191	0.4
109.02941	0.5
111.00880	0.7
113.02437	1.0
114.01970	0.4
115.00372	1.9
121.02954	9.2
122.03793	0.9
123.04510	1.3
129.01939	1.2
133.01445	3.5
134.03632	0.4
135.04524	2.5
136.01675	1.0
137.02454	1.5
139.03999	0.8
144.28407	0.4
147.04515	0.5
149.02440	74.0
150.03226	70.7
151.03807	4.0
161.02385	0.6
161.04530	0.7
163.04025	1.3
164.04796	27.5
165.01898	1.7
165.05565	100.0
166.05913	4.1
167.03494	1.9
177.01917	1.3
179.03461	0.4
179.25723	0.4
180.90450	0.4
205.03656	0.5
207.06613	0.7
211.02568	0.6
211.06123	3.1
327.05075	0.5
327.08615	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1086
Annotation	Paeonoside
Peak:m/z	Relative Intensity
55.01870	0.8
57.03441	2.3
59.01381	27.6
62.02174	0.6
71.01387	15.0
71.49522	0.6
71.49873	0.9
72.99308	2.1
73.02945	0.8
81.24837	0.6
83.01395	1.6
85.02950	11.2
87.00890	0.8
89.02449	9.7
93.03470	3.8
95.01398	1.1
101.02451	7.3
104.61285	0.7
108.02189	2.7
109.02975	1.0
111.00882	2.2
113.02466	3.1
115.00379	8.2
119.03516	4.3
119.05009	3.2
120.05348	0.7
121.02980	2.1
121.06625	2.0
123.04543	0.9
129.01938	2.8
129.03432	1.4
133.01434	20.5
133.02945	0.9
135.04524	19.9
135.05530	1.2
136.04849	1.1
137.02493	1.1
145.02968	0.8
145.05666	0.6
147.04529	100.0
148.04877	4.1
149.02475	2.0
152.01134	1.6
161.02448	1.0
161.04561	0.7
163.00337	0.6
163.04071	0.7
164.04669	0.6
165.01971	1.6
165.05574	53.5
166.05922	1.7
177.01938	2.3
179.03494	2.5
179.05621	0.9
205.03481	1.2
223.11491	0.8
241.12669	1.0
249.34595	0.6
265.55487	0.5
277.05496	0.7
289.07297	0.9
294.89972	0.6
327.07611	0.8
327.10895	6.1
341.37027	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.051
Annotation	Khrinone D
Peak:m/z	Relative Intensity
59.01385	10.4
60.38690	1.1
64.76810	1.0
68.99837	1.2
69.66154	2.6
69.66566	4.0
71.01386	11.7
77.03965	3.1
79.01869	1.3
81.03461	1.7
82.82227	1.0
85.02949	3.4
89.03986	2.8
91.01932	1.3
93.03456	5.3
95.01346	1.6
95.05031	1.5
97.03001	1.6
98.20630	2.2
105.03442	5.9
109.02966	13.6
115.00404	7.9
117.03500	1.7
119.05018	2.9
121.02968	15.0
123.00895	2.7
123.04520	6.8
133.01424	5.0
133.02950	9.8
134.03719	4.8
135.00873	5.2
135.04538	22.8
136.01668	21.9
137.02472	17.1
139.04007	3.5
147.04527	3.7
148.01662	3.8
149.02461	65.3
149.06090	1.5
150.02846	3.7
151.00366	3.1
151.04025	54.0
152.04361	1.8
161.02463	45.4
162.02866	1.8
163.00391	30.2
164.01135	6.4
164.04378	1.3
165.01950	92.4
165.05597	17.1
166.02240	3.2
167.03519	5.0
173.02495	1.4
174.03177	1.5
175.03995	1.4
176.01161	27.2
177.01947	100.0
178.02287	5.2
189.01941	3.9
190.02733	12.4
195.04526	1.2
202.99884	12.7
203.03339	1.6
204.00565	5.0
205.01436	14.7
206.01907	1.1
211.06114	38.2
212.06487	2.1
213.05467	1.7
218.02167	10.3
237.05627	2.1
239.07147	3.3
240.47577	1.3
241.05202	1.6
253.05110	2.0
256.03680	1.5
265.05124	3.2
281.04517	2.3
283.06137	4.8
299.05600	5.3
309.04129	12.5
327.01379	2.4
327.05063	35.4
328.05490	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	327.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99223	1.0
54.31634	1.0
55.01866	4.9
55.66433	0.9
57.03447	17.2
59.01378	14.3
62.32600	1.2
67.01887	1.3
67.15939	1.0
71.01376	16.4
71.49432	1.4
72.99315	1.9
73.02937	9.4
75.00883	1.5
83.01392	10.1
84.02185	3.4
85.02949	100.0
86.03276	1.7
89.02443	1.6
99.00864	1.6
101.02447	10.4
109.02921	5.2
111.00887	23.0
113.02479	1.8
115.00340	3.4
121.02950	24.5
123.04534	2.5
125.02448	1.3
129.01945	38.9
133.01385	5.4
135.04539	9.3
137.02425	1.4
137.06078	8.4
147.04425	1.3
149.02437	18.3
161.04543	3.6
161.06047	2.2
163.03970	2.9
164.04851	2.5
165.01955	2.8
165.05550	2.6
168.63103	1.1
175.03937	1.3
177.01921	1.5
179.03506	3.2
181.05006	4.6
187.03923	1.8
199.07941	1.1
205.03479	14.4
245.08189	1.2
253.04977	2.9
254.05656	1.3
255.06570	1.2
278.28915	1.1
283.09937	1.6
285.53900	1.0
289.07214	2.8
298.04794	1.7
312.09970	3.9
327.04889	6.4
327.11267	4.9
328.05261	1.0
348.02118	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2019
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
55.01864	1.8
55.45251	1.1
57.03452	11.2
59.01372	4.1
65.03946	2.2
67.01883	3.8
69.03453	4.2
69.27827	10.9
71.01383	1.3
71.05019	8.2
74.24184	1.2
79.05525	4.8
79.72914	1.2
80.02675	2.6
81.03452	4.6
83.05020	14.1
84.02174	3.2
85.02950	5.7
85.06590	4.5
87.04501	2.0
93.03434	2.9
95.05036	9.2
97.02950	4.1
97.06569	8.9
106.04217	5.6
109.06577	8.2
111.04525	13.3
111.08148	1.2
113.06069	2.8
115.07599	2.4
119.62222	1.1
121.06612	1.5
123.04520	3.3
123.08130	6.7
124.05301	2.5
125.06062	1.7
125.09740	5.8
127.07654	3.5
127.11253	1.9
135.08165	14.0
136.83914	1.2
137.06111	1.4
137.09689	3.2
143.10764	1.4
151.11356	1.4
153.09192	11.2
157.62798	1.2
163.11282	2.7
167.10805	2.2
170.04486	1.3
171.10269	51.6
172.10645	2.4
177.12863	3.2
185.11772	3.7
191.14397	1.9
193.12296	6.7
195.13841	3.7
197.11809	1.7
201.11302	1.9
205.15909	2.9
206.47330	1.3
207.10060	1.6
207.13986	1.1
209.11830	24.4
211.13414	10.9
221.11816	5.9
225.11337	1.5
227.12825	2.8
235.13403	2.9
237.15025	10.0
239.12857	2.7
245.19136	7.1
249.14955	10.6
267.15991	3.8
278.15775	1.3
289.18100	20.8
290.18475	2.1
307.19272	11.0
308.19461	1.7
325.20184	100.0
326.20529	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	325.217
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
59.01360	1.2
79.95747	1.3
98.20692	1.3
119.04991	1.1
120.79179	0.5
149.09712	83.3
150.10060	4.0
163.11284	92.5
164.11615	4.9
170.00444	1.2
183.01196	48.2
184.01929	6.2
197.02792	2.4
216.00916	3.3
239.07529	0.6
259.67941	0.5
325.18393	100.0
325.21817	83.6
326.18716	9.6
326.22165	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	325.2017
Annotation	Plakortenone
Peak:m/z	Relative Intensity
59.01370	8.4
69.18317	11.0
71.01375	1.5
71.05025	1.4
89.02441	1.9
94.12926	1.2
97.06567	1.4
98.20767	1.8
121.02966	4.0
122.03767	4.6
136.05280	2.8
164.08502	1.2
167.14430	6.6
168.04341	1.7
183.01160	5.8
193.16046	3.4
207.17538	2.2
216.40077	1.1
231.17665	3.4
249.18579	38.2
250.19000	2.1
275.16513	27.8
275.19299	1.6
276.16986	2.4
281.21194	7.2
293.17572	100.0
294.17914	8.4
307.19327	5.0
325.20291	72.6
326.20642	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	325.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60095	2.3
57.03433	8.0
59.01369	15.4
61.98822	5.0
62.77684	2.6
69.03432	3.0
69.73363	12.3
71.01373	7.3
71.05014	20.0
73.02921	3.8
75.51484	2.3
87.09966	2.7
95.04964	3.4
97.02936	5.4
97.06589	12.9
99.00871	24.3
106.55714	2.4
123.08121	8.0
125.09724	51.2
127.11287	3.7
153.12784	5.4
163.03938	2.5
163.06004	3.0
163.11316	26.3
181.12328	69.9
183.01198	9.7
186.86282	2.6
199.13382	44.4
200.13814	4.5
201.57613	2.8
207.10240	38.3
225.11311	100.0
226.11694	5.4
243.12349	56.0
244.12584	3.4
325.19940	36.3
326.20554	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	325.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
60.15850	0.3
68.12849	0.3
70.16955	1.2
76.02129	0.2
79.95695	1.5
119.05054	1.4
134.05975	0.3
134.95628	0.3
170.00427	1.2
183.01208	58.1
184.01814	4.6
197.02811	2.9
198.03587	0.6
202.06444	0.3
216.00977	1.2
225.05928	0.7
239.07469	0.7
281.15320	0.3
293.54898	0.3
311.62018	0.3
325.18427	100.0
326.18756	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	325.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
69.77847	1.9
77.62518	0.3
79.95763	1.5
119.05027	1.3
128.35289	0.4
170.00418	1.9
183.01196	58.7
184.01863	4.1
191.56708	0.4
196.66492	0.4
197.02765	4.0
198.03578	0.7
216.00975	1.4
225.05965	1.1
230.02522	0.6
239.07567	1.1
262.42224	0.4
317.47556	0.4
325.18399	100.0
326.18732	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2228
Annotation	Decylubiquinol
Peak:m/z	Relative Intensity
57.03434	1.8
59.01379	18.4
61.26052	1.5
62.26341	1.8
62.78342	1.6
69.03493	1.8
71.01381	9.4
71.50067	2.1
73.02937	2.3
83.33529	1.9
85.02943	3.9
89.02437	3.3
96.95996	4.9
101.02428	2.8
107.08694	3.3
113.02440	5.4
139.11313	3.2
161.04550	2.9
162.89822	2.2
213.11285	3.0
239.12910	2.2
263.20233	2.1
265.14658	3.7
288.69720	2.1
291.19644	24.5
308.19894	9.2
323.09814	2.2
323.16873	16.0
323.22256	100.0
324.22662	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	325.0928
Annotation	4'-O-beta-D-Glucosyl-cis-p-coumarate
Peak:m/z	Relative Intensity
51.19347	0.4
59.01384	0.8
66.38544	0.4
69.60901	2.0
71.01373	0.6
79.70602	0.4
88.30987	0.4
93.03468	1.1
117.03475	0.4
119.05031	100.0
120.05376	3.6
124.59187	0.4
135.04558	1.0
142.64854	0.4
143.97144	0.4
145.02922	1.7
163.04015	73.7
164.04323	3.4
179.03458	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24429	0.9
58.00597	2.7
59.01381	100.0
71.01387	47.8
71.01728	0.7
71.22710	1.7
71.23057	1.1
72.99306	1.9
73.45351	1.0
83.01388	2.8
85.02938	8.2
85.34896	0.8
87.00880	1.0
89.02451	52.6
94.97820	0.9
95.01401	4.2
101.02448	34.9
113.02457	18.4
119.03505	28.7
131.03532	1.7
143.03513	2.1
146.92503	0.9
149.04500	1.8
161.04538	1.4
161.08128	2.0
179.05627	2.4
312.75308	1.0
323.13477	99.7
324.13708	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	323.2227
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
58.16138	0.5
59.01382	5.6
70.68758	1.0
71.01377	1.6
82.92520	0.4
89.02452	1.0
97.06612	0.6
113.02450	1.0
118.74214	0.6
121.09686	0.5
123.04517	1.1
123.08165	0.9
137.06078	1.3
137.09711	0.6
151.07605	0.9
153.09322	0.7
156.04337	0.9
161.04616	0.7
162.10509	0.9
165.09209	2.1
165.12799	1.6
167.10689	0.6
167.14417	1.1
179.10645	0.6
189.12830	0.6
190.09962	0.7
191.14297	0.7
193.12366	0.7
197.11716	0.7
207.01746	0.5
209.15575	0.6
217.16122	0.7
219.32588	0.4
225.14919	0.6
235.13318	0.9
247.17018	0.8
257.51065	0.5
261.22250	4.0
279.23480	0.9
287.20215	0.6
291.15952	1.5
305.21219	100.0
306.18301	0.8
306.21558	9.3
320.89902	0.5
323.09753	0.7
323.18509	3.0
323.22214	18.2
324.22534	1.8
344.39258	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	7.5
59.01389	12.3
62.61108	1.1
66.38026	1.3
71.01009	2.5
71.01379	31.2
72.99293	6.9
73.02909	1.8
83.01391	2.0
85.02955	8.8
87.00850	2.0
88.11987	1.2
89.02433	5.5
96.99324	6.7
99.04510	2.4
101.02435	5.5
109.02956	1.2
109.06523	1.4
110.43260	1.2
113.02446	4.8
115.00361	1.6
120.72646	1.3
122.76249	1.4
129.01941	100.0
130.02249	1.5
132.02159	6.5
134.03754	20.1
134.42802	1.4
145.07660	2.8
146.08119	4.3
147.02985	38.6
149.04247	1.7
149.06039	3.8
150.04588	1.5
151.00414	2.4
160.01654	27.7
161.02225	1.4
161.04556	3.8
162.92479	1.2
175.03995	43.1
176.04259	2.1
177.01799	1.3
178.02705	3.6
188.08148	1.4
189.08572	2.4
193.05074	26.0
238.70059	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	323.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47449	0.6
50.60191	0.6
55.01858	0.6
57.03429	1.0
57.42934	0.6
58.00592	1.0
59.01379	100.0
60.01762	0.7
61.98825	2.6
71.01379	13.4
71.49591	1.3
72.99337	0.7
73.02946	3.0
76.88979	0.7
78.95914	2.1
80.96514	0.7
82.90892	0.7
83.01392	2.4
83.05055	0.6
85.02956	6.7
87.00896	1.8
88.35311	0.6
88.35962	0.7
89.02440	7.3
95.01424	1.2
99.00879	1.5
99.04510	0.9
101.02441	10.1
101.06108	1.6
113.02456	6.7
119.03529	2.6
125.02419	1.6
143.03522	1.9
143.07199	0.9
161.04553	8.0
161.08209	1.6
163.03862	0.6
173.04660	0.8
189.02069	0.7
212.42009	0.6
257.33752	0.7
263.11371	3.9
269.29007	0.7
281.12451	1.9
299.14227	0.6
300.75732	0.7
323.09732	1.8
323.13123	7.5
323.17062	0.8
324.10571	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	321.1455
Annotation	Tiruchanduramine
Peak:m/z	Relative Intensity
59.01367	5.7
66.37516	1.3
70.77317	2.9
70.77657	1.7
71.01385	2.1
84.04530	7.8
85.02936	2.8
93.04205	1.2
102.05614	69.8
103.05532	4.9
119.05010	2.9
128.03545	86.8
129.03909	1.8
131.05037	7.5
138.73665	1.3
146.04588	18.4
146.06113	25.6
147.04532	29.3
147.06346	1.3
148.04805	1.3
171.07733	5.4
172.07631	1.4
186.09229	3.2
188.09346	0.8
188.10791	35.0
189.11171	3.4
192.10309	41.8
193.10695	3.1
214.08705	3.0
232.09735	3.7
277.15546	36.4
278.15897	3.2
303.13498	21.3
304.13849	2.0
321.14548	100.0
322.14899	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	321.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00771	0.6
51.19209	0.6
59.01375	100.0
60.01733	1.3
69.47324	3.9
69.47729	0.9
71.01379	2.8
83.75269	0.6
85.02949	1.4
87.82385	0.7
89.02426	4.3
91.05573	0.7
91.86774	0.7
101.02476	1.4
112.01689	0.8
117.03466	0.9
119.03524	1.7
120.28040	0.7
135.04558	2.7
137.89799	0.7
161.02422	1.0
216.87567	0.9
259.06213	3.3
277.07242	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	321.2068
Annotation	Rapanone
Peak:m/z	Relative Intensity
59.01378	100.0
60.01710	1.5
61.98836	1.2
62.49334	0.9
69.47970	4.2
69.48376	2.2
71.01370	1.1
72.31165	0.9
77.54011	0.9
79.52934	0.8
93.89731	0.8
98.20638	2.0
101.02494	1.0
103.03979	1.1
104.28557	0.9
110.21492	0.9
138.48076	1.1
141.01959	0.9
204.95695	1.0
217.05116	1.2
300.78265	1.0
321.20682	49.9
322.17676	0.9
322.20975	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	322.2022
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
58.02973	2.5
60.57841	0.2
80.05101	0.3
81.03471	0.4
83.05025	0.3
87.06113	0.2
95.05035	0.8
97.06609	0.3
98.20700	0.3
109.06604	0.4
111.35580	0.2
115.00837	0.2
119.29793	0.2
128.10815	6.1
128.11754	0.4
129.11197	0.3
130.08733	100.0
131.09067	2.8
135.02448	0.2
165.12805	1.0
172.09795	0.5
176.44527	0.2
322.20212	29.6
323.20532	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	321.0767
Annotation	11-Deoxylandomycinone
Peak:m/z	Relative Intensity
59.01372	1.3
61.00531	0.2
61.14521	0.2
61.94078	0.2
68.20747	0.2
69.03452	0.9
71.01382	0.6
71.42662	0.2
71.50385	0.2
74.21277	0.2
74.21740	0.2
79.14601	0.2
85.02930	0.2
85.22418	0.2
89.02431	0.2
89.04004	0.4
91.05539	0.6
93.03461	0.3
95.05030	0.4
97.02943	0.2
99.00862	0.3
101.02457	0.4
103.05508	0.5
105.03439	0.6
108.38670	0.2
109.02970	1.5
113.09714	0.6
117.03451	1.1
119.05024	2.0
121.02969	1.4
123.04505	0.9
129.03461	2.5
130.04250	3.0
131.04932	0.4
132.02145	0.3
133.02956	4.2
134.03287	0.3
135.04515	1.3
143.05032	0.4
145.02951	3.1
146.03752	7.6
147.04521	27.6
148.04848	1.0
159.04509	5.5
159.10277	1.7
161.02435	60.3
162.02765	2.3
167.05170	0.3
171.04469	0.6
173.02444	2.1
173.06038	2.2
174.03209	11.8
175.03917	1.2
178.02705	0.3
185.00848	0.6
185.02415	0.5
187.04022	0.6
198.03191	0.5
199.04027	1.9
200.49709	0.3
206.02191	6.9
207.02505	0.3
207.08221	0.4
211.03925	0.7
212.04774	0.6
219.08165	0.3
221.06154	0.3
222.06789	0.3
231.07922	0.4
233.06053	1.4
234.06631	0.2
235.07495	0.3
237.05730	0.4
247.07585	0.9
248.07950	0.2
249.05522	1.9
249.64169	0.2
250.06328	8.3
251.07011	1.5
257.06055	0.6
259.07623	0.9
260.04785	0.4
261.05591	1.1
262.06305	0.4
263.07040	0.6
265.08725	0.6
273.05383	0.4
274.06335	0.4
275.07101	3.5
276.07605	0.2
277.05081	3.5
278.05783	2.3
279.06516	0.5
282.05341	0.5
285.05447	0.9
288.04178	2.0
289.05054	4.6
291.06592	1.2
293.08197	0.8
301.05017	0.8
302.05762	1.1
303.06598	14.3
304.07031	1.5
305.04587	3.7
306.05319	23.4
307.05597	2.1
319.06079	3.5
320.06964	0.5
321.07651	100.0
322.08011	9.9
322.10999	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1452
Annotation	Tiruchanduramine
Peak:m/z	Relative Intensity
59.01379	9.3
71.01395	4.9
74.02467	1.4
82.02985	1.4
84.04531	7.9
85.02947	3.8
87.00856	4.8
89.02425	1.3
97.02901	1.1
97.06584	4.0
101.02406	1.3
101.06036	1.2
102.05607	72.4
103.05524	4.8
103.92030	1.3
115.07640	1.1
119.04997	1.9
125.06090	1.8
128.03539	84.7
129.01897	1.2
129.03886	1.3
129.05473	1.8
131.05002	6.3
137.06171	1.2
145.06274	1.6
146.04582	19.5
146.06099	26.1
147.04521	32.0
147.06462	3.2
148.04851	1.2
153.05566	2.3
155.07114	1.3
159.06653	5.4
159.80847	0.9
170.83150	1.0
171.07692	3.4
172.07614	1.9
181.32297	0.9
186.09203	1.8
188.10800	37.4
189.11189	2.9
192.10303	38.8
193.10579	2.2
214.08693	2.5
214.10603	1.6
232.09711	3.8
255.03201	1.1
259.14462	4.2
277.15509	35.4
278.15814	2.5
303.13333	21.0
304.13745	1.8
321.14542	100.0
322.14804	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	319.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	8.0
59.01369	1.0
69.96947	1.4
69.97343	1.3
72.00915	5.0
78.87479	0.7
82.06629	4.2
91.05530	13.6
103.05543	1.4
112.07691	2.9
112.85868	0.6
116.05037	0.9
118.06607	3.1
119.05035	0.9
126.09257	2.0
129.10339	88.3
130.10722	1.8
135.04495	1.5
141.10365	0.7
147.04515	30.9
148.04832	1.5
153.10345	4.6
154.08728	14.4
155.11971	0.7
164.07156	70.1
165.07535	3.2
171.11388	58.0
172.11745	1.7
216.13957	1.6
233.16586	39.5
234.16914	2.1
238.16403	0.7
275.17636	6.0
277.15604	3.4
319.16602	100.0
320.16916	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	320.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01855	0.9
58.02503	0.9
58.02955	1.0
59.01374	1.1
60.64811	1.0
61.17847	1.3
67.98535	1.1
69.56039	6.7
79.51251	1.0
82.02984	4.3
84.04548	3.2
98.20683	1.0
99.05638	1.3
101.07201	2.5
102.05587	1.7
109.04088	6.7
125.03560	1.2
126.38725	1.0
127.05136	52.3
128.03558	10.8
128.05473	1.3
131.04959	1.0
139.05214	1.1
145.06195	36.3
146.06117	25.6
147.04518	2.6
147.06354	1.2
148.07693	1.1
172.07648	2.6
186.09219	2.3
188.10846	1.5
192.10313	1.3
213.10330	44.3
214.08646	2.7
214.10701	2.7
226.09412	1.1
231.11380	31.5
232.11671	1.7
257.09286	1.9
259.52316	1.1
276.17197	2.4
277.15509	1.2
302.15094	34.9
303.15549	1.6
320.16141	100.0
321.16632	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	317.114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33905	1.3
59.01382	1.5
61.98816	1.3
65.89576	1.1
66.44339	1.2
70.98711	2.7
75.33441	1.4
90.62883	1.4
92.55646	1.2
106.06621	99.1
107.06977	3.1
110.02467	3.6
116.05045	4.2
122.06120	1.5
123.03259	1.5
132.04544	3.4
134.06133	2.3
138.05612	19.5
140.07156	13.7
144.08157	3.6
150.05582	12.1
152.02304	2.5
152.03535	43.2
166.05098	18.0
167.05873	100.0
168.06250	4.8
170.09767	4.3
171.17882	1.3
186.12901	16.2
194.04628	3.7
198.07970	2.2
200.07133	2.9
201.07916	18.6
202.12401	1.4
215.09467	9.2
225.06694	4.8
226.07428	5.5
227.11972	3.6
230.11836	36.8
231.12163	1.8
237.10284	1.8
239.08192	2.4
240.09044	6.9
255.11375	43.1
256.11731	4.0
273.12451	48.0
274.10419	7.8
274.13220	2.6
275.08066	1.4
285.08963	2.2
299.10410	13.0
317.11414	61.8
318.11749	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	315.1084
Annotation	Taxicatin
Peak:m/z	Relative Intensity
53.51509	0.3
59.01379	0.7
70.82255	1.1
95.05031	1.0
102.30067	0.3
102.74497	0.3
103.92040	0.3
109.02950	1.7
122.03692	0.5
123.04520	74.3
124.04854	2.8
135.04410	0.4
140.93013	0.4
147.57419	0.3
150.40366	0.3
153.05566	100.0
154.05917	3.6
274.32495	0.4
315.07727	0.5
315.10815	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	314.2703
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
52.72948	1.0
54.39068	1.2
59.01372	2.9
61.98819	1.3
69.48966	1.3
69.64603	4.5
72.32018	1.2
74.06077	1.0
82.75768	1.4
86.42767	1.3
126.19760	1.0
190.41039	1.0
216.55569	1.2
268.26459	2.3
270.14493	1.1
270.24106	1.2
314.27042	100.0
315.24609	1.8
315.27448	4.9
335.88647	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.072
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
57.03459	0.7
59.01368	2.2
59.98617	0.6
61.98819	0.7
64.61420	0.6
64.78732	0.6
65.67370	0.6
66.20931	0.6
70.55640	1.3
70.56016	1.3
71.01376	3.6
73.01783	0.6
81.03440	0.9
83.01368	0.7
85.02952	3.3
86.18578	0.6
87.00849	0.6
88.03994	1.3
89.02428	0.9
93.03419	0.7
95.01349	1.5
96.95982	0.9
101.02423	2.1
107.05024	0.7
108.02168	100.0
109.02958	40.7
110.03271	0.9
110.91337	0.8
113.02419	1.1
115.00359	1.1
119.03493	0.6
121.02921	0.6
123.00894	1.4
123.04526	7.1
125.02424	0.6
132.31435	0.8
133.01318	0.9
134.03720	1.5
135.00848	0.9
135.01857	1.2
135.04529	17.9
136.04848	3.3
137.05013	3.1
151.04001	1.7
152.01152	67.7
153.01939	42.1
153.05553	10.1
154.02307	1.1
163.04039	1.4
165.01892	2.6
179.03389	0.8
195.02829	1.0
196.14633	0.9
199.04935	1.1
200.13976	1.0
209.09251	0.9
214.20840	0.7
315.07193	72.7
316.07535	4.6
316.15195	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.1
58.00594	3.2
59.01377	100.0
71.01015	3.8
71.01383	61.2
72.99308	4.8
73.02945	3.7
74.57856	2.2
75.00861	4.0
82.86226	2.4
83.01382	3.1
84.38441	1.7
85.02939	11.1
87.00904	3.2
89.02441	78.7
95.01386	2.4
101.02436	39.2
103.00368	5.1
106.71287	1.8
113.02457	24.2
119.03500	33.0
126.21665	1.8
131.03471	3.8
133.05060	2.7
141.84904	1.8
143.03496	6.3
149.04494	2.9
151.06129	34.3
161.04510	6.8
172.77377	1.9
179.05600	23.9
206.88747	2.1
228.91939	1.9
313.11371	50.9
314.11816	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	313.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25695	10.1
59.01380	18.7
66.61736	8.6
69.18566	94.7
69.18970	23.7
73.06243	11.2
98.20655	19.7
101.02449	11.8
101.51533	9.7
110.61526	9.4
121.02935	10.6
135.04488	12.4
185.00685	47.6
263.48193	10.2
313.16608	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	314.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.4
59.01382	0.8
63.17639	0.6
69.17936	4.7
72.45081	0.5
81.74517	0.5
83.05021	7.8
84.04545	18.4
85.04876	0.7
97.06577	0.9
98.20695	1.1
100.57026	0.5
102.58495	0.6
139.11285	100.0
140.11627	3.5
162.02298	59.8
163.02551	1.5
175.18318	0.5
185.10036	2.4
194.41135	0.5
200.07208	0.5
203.90172	0.5
207.21407	0.6
236.47499	0.5
256.03210	0.6
314.07343	1.3
315.18073	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	314.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01404	3.0
70.80683	5.2
82.23969	2.3
83.05031	6.0
84.04549	25.8
84.05004	2.9
127.07045	2.1
128.38779	1.8
135.48499	2.0
139.11296	66.0
140.11653	2.8
162.02316	100.0
227.69972	2.1
229.08711	3.0
338.21603	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0716
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
65.00321	21.6
66.00681	0.7
70.61231	1.6
71.91971	0.5
80.69062	0.6
89.00323	6.7
91.01893	4.5
97.02949	15.5
121.02942	6.3
147.04483	1.0
149.99562	7.3
165.01921	57.7
166.02222	1.7
183.04520	0.9
200.01144	1.8
211.03996	2.1
215.03452	0.8
226.06314	1.3
241.86954	0.6
254.05824	1.5
255.02969	55.5
256.03351	3.2
282.01590	0.8
283.02469	45.2
284.02869	2.9
297.04068	1.3
298.04813	27.7
299.05106	2.4
312.22534	1.2
313.07159	100.0
313.23816	14.2
314.07501	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0718
Annotation	Sylpin
Peak:m/z	Relative Intensity
59.01379	0.3
62.93080	0.2
69.55254	1.5
77.03980	0.3
93.03443	0.3
97.88816	0.2
106.94087	0.2
121.02956	100.0
121.47096	0.2
122.03294	3.5
180.05794	0.9
181.06581	4.9
182.06935	0.5
182.53474	0.3
208.70325	0.2
225.05556	6.9
226.05920	0.4
269.08316	0.6
290.65768	0.2
295.22961	0.3
313.07156	13.9
313.14594	0.8
313.23819	2.2
314.07452	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	313.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62053	0.4
58.28244	0.4
59.48279	0.5
65.34391	0.4
71.01385	7.0
71.09669	0.5
71.25929	0.8
72.99295	0.7
77.13354	0.4
88.99207	0.4
104.97044	0.4
109.02950	0.5
114.73841	0.5
115.00368	9.1
122.59460	0.4
123.04511	2.3
133.01431	16.6
134.01762	0.5
134.03780	0.8
135.04524	100.0
136.04832	3.7
137.02457	0.5
153.05574	10.6
154.05925	0.8
163.42824	0.5
167.03522	1.6
179.03488	1.4
197.04572	6.8
321.02429	0.5
330.83783	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0715
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
56.76654	0.5
59.01398	1.4
61.98835	4.5
64.86656	0.5
65.00322	20.5
71.01384	0.8
71.50346	0.6
75.00845	0.5
81.80585	0.6
89.00320	4.6
89.02442	0.8
91.01904	4.5
93.03465	0.5
97.02953	15.1
97.18297	0.5
119.85708	0.5
121.02956	94.8
122.03321	2.9
132.02197	0.6
135.04529	1.1
139.07869	0.5
149.99585	6.0
164.64185	0.6
165.01929	49.5
166.02304	1.3
180.05785	1.5
181.06622	4.0
195.13921	1.4
200.01033	1.3
211.03970	1.8
215.03516	0.9
218.01248	0.5
224.13539	0.8
225.05524	6.4
226.06317	0.7
239.03546	0.7
242.11797	1.4
250.11418	2.6
254.10480	0.6
255.02975	49.1
256.03329	3.7
269.12949	5.3
282.01437	0.9
283.02472	40.1
284.02728	2.9
297.03964	0.8
298.04800	25.8
299.05078	1.9
313.07147	100.0
313.23846	1.1
314.07397	8.2
333.50189	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.1
59.01361	4.1
69.21715	12.6
71.01398	3.5
74.99057	1.4
75.00869	2.7
81.03454	12.1
84.04546	31.2
97.18321	1.6
101.02425	1.6
104.91570	1.3
121.06612	2.1
133.34247	1.3
135.04471	2.2
137.09720	21.2
149.09753	4.3
150.10042	1.5
154.60371	1.6
158.37975	1.3
162.02303	100.0
163.02603	2.2
183.08487	5.5
187.51343	1.4
242.65601	1.3
243.88701	1.5
301.42789	1.7
312.05899	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	313.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74318	0.4
51.69556	0.5
53.76789	0.5
59.01404	0.6
60.53741	0.6
69.72170	2.4
71.01382	4.8
72.99300	3.5
76.99348	0.5
89.02460	0.6
98.20635	0.7
109.02976	1.6
115.00377	9.3
116.00710	0.7
123.04551	1.4
125.99095	0.5
133.01433	18.4
134.03719	1.0
135.04529	100.0
135.46687	0.6
136.04881	3.6
144.71065	0.5
153.05571	2.2
167.03470	0.9
179.03461	3.0
197.04581	7.8
246.42677	0.5
274.61487	0.6
299.79630	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99437	0.3
59.01376	1.3
63.38251	0.3
69.50419	2.5
69.50741	0.7
71.01379	7.7
71.01769	0.4
72.99305	7.2
87.00882	0.4
89.02444	1.2
98.20695	0.4
109.02948	1.1
110.36127	0.4
115.00376	9.4
116.08232	0.3
123.04518	4.0
133.01431	16.6
134.03738	1.1
135.04520	100.0
136.04839	3.2
151.04050	0.4
153.05565	5.3
162.85367	0.4
167.03499	1.1
179.03500	5.3
179.05684	0.3
180.03809	0.4
197.04538	19.0
198.04910	0.9
201.08060	0.4
305.40225	0.3
313.11404	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2228
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03433	0.8
59.01386	3.1
64.08160	0.5
67.58250	0.4
70.50697	0.7
70.51018	0.8
71.01352	0.6
93.90832	0.5
95.24921	0.4
97.06574	1.5
123.08161	0.9
125.09724	4.3
126.74417	0.4
127.11286	0.7
139.11255	1.0
141.08235	0.5
141.09210	2.4
141.12837	0.9
153.09198	1.4
155.14388	1.9
157.12347	1.2
166.17712	0.4
166.23253	0.4
171.10251	2.2
181.15991	0.6
183.01169	0.9
199.09692	0.8
200.10516	2.6
247.85614	0.5
249.22253	2.7
251.11427	0.6
265.21680	1.5
267.23157	0.8
275.20163	1.1
283.22739	0.8
291.19843	0.5
293.21228	9.2
294.21472	0.6
311.05652	1.5
311.22253	100.0
312.22601	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2233
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
55.82026	1.2
56.84420	1.2
57.03442	1.3
59.01387	16.8
59.94399	1.2
70.82069	2.5
70.82422	1.5
83.85368	1.1
89.04939	1.2
90.81712	1.2
97.95630	1.2
101.02505	1.5
125.09779	2.6
135.04561	2.0
139.11368	1.3
141.09233	1.2
144.14812	1.1
147.54404	1.1
149.00874	1.9
153.09259	1.2
155.14468	1.5
160.53966	1.3
161.04478	2.2
171.10260	1.5
183.01186	9.7
199.09773	1.8
200.10448	3.4
229.18494	1.2
230.03032	1.3
249.22209	3.0
251.11324	3.2
252.04332	1.4
267.06647	4.3
293.21121	7.0
294.21674	1.6
311.05734	7.5
311.17068	19.3
311.22284	100.0
312.22635	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	311.2015
Annotation	Longithorone K
Peak:m/z	Relative Intensity
53.07514	0.3
55.11273	0.3
59.01369	1.2
79.67007	0.4
79.95759	0.8
119.05024	0.6
133.06587	2.5
149.09711	100.0
150.10060	4.8
170.00392	0.5
177.32895	0.3
180.46628	0.3
183.01195	27.2
184.01953	4.4
197.02760	1.0
198.03503	0.4
216.00974	1.8
218.48721	0.3
225.05840	0.3
251.11266	0.4
311.16840	53.1
311.20215	51.2
312.17175	4.7
312.20541	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	311.2228
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
52.34740	0.7
57.03438	2.2
59.01385	4.9
69.78794	1.5
69.79205	2.4
71.01391	0.8
75.58218	0.8
83.05005	1.0
97.02969	1.7
97.06610	1.6
99.08138	0.9
113.09746	6.6
119.38173	0.7
121.10254	3.0
125.09674	1.1
137.09721	1.2
139.10210	1.6
139.11288	30.0
140.11632	1.0
155.10703	0.8
167.10818	1.1
171.10269	38.3
172.10634	0.9
183.01224	1.4
185.11850	1.8
186.84564	0.7
193.12358	1.2
197.29153	0.7
199.13223	0.8
211.13380	5.6
249.22466	1.3
265.21567	0.9
275.20038	1.3
293.21225	29.9
294.21530	3.1
311.05447	1.0
311.22256	100.0
312.22623	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	311.2227
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
57.03440	1.9
59.01374	6.4
70.71458	1.5
70.71799	1.0
71.05029	0.7
79.36158	0.8
83.05012	1.0
87.53973	0.7
99.08129	1.4
113.09708	1.3
121.10221	1.1
123.08180	1.2
125.09712	3.1
127.11280	5.3
129.09200	1.7
137.09721	1.0
139.11295	10.9
151.11276	1.4
155.10783	3.0
165.09201	1.1
167.10683	1.0
171.10255	54.2
172.10632	2.5
181.12341	1.6
183.01157	1.8
183.10158	3.7
183.13875	1.0
185.11807	8.6
197.11823	2.8
199.13394	2.0
201.11331	11.4
211.13414	5.4
220.30853	0.9
249.22153	1.1
251.11594	0.8
252.04225	0.8
265.21680	1.4
267.06543	1.4
275.20093	3.2
276.58456	0.8
293.21204	17.4
294.21591	1.2
311.05661	4.3
311.16537	2.9
311.22253	100.0
312.22607	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	311.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
69.47871	2.7
69.48274	4.1
71.01384	5.0
71.24168	1.0
73.02940	1.9
82.49384	1.0
83.01375	1.3
85.02949	2.5
101.02420	6.1
109.02895	1.1
113.02417	2.5
134.03740	2.2
151.03958	1.1
151.73041	1.2
159.02986	1.3
161.04578	3.3
219.00490	1.0
251.03319	1.8
252.04214	4.3
265.05151	1.2
267.06592	4.1
269.10162	3.6
311.05615	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	311.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
69.47871	2.7
69.48274	4.1
71.01384	5.0
71.24168	1.0
73.02940	1.9
82.49384	1.0
83.01375	1.3
85.02949	2.5
101.02420	6.1
109.02895	1.1
113.02417	2.5
134.03740	2.2
151.03958	1.1
151.73041	1.2
159.02986	1.3
161.04578	3.3
219.00490	1.0
251.03319	1.8
252.04214	4.3
265.05151	1.2
267.06592	4.1
269.10162	3.6
311.05615	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	311.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
58.40558	0.3
69.97616	0.7
69.98008	0.6
71.42450	0.3
74.45283	0.4
79.95715	1.6
89.76385	0.3
93.24001	0.3
98.95608	0.4
105.53606	0.3
119.05032	1.3
168.22336	0.3
170.00383	1.3
183.01195	52.4
184.01927	5.1
196.29161	0.3
197.02763	2.3
198.03523	0.7
210.56258	0.3
216.00978	1.8
225.05940	0.8
239.07494	0.4
247.20660	0.3
311.16840	100.0
312.17142	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88610	0.6
56.52680	0.8
59.01376	11.3
61.02167	0.7
71.01383	1.6
71.50454	0.9
80.20139	0.8
80.77448	0.8
85.02953	1.0
87.04527	1.4
88.82198	0.8
89.02461	1.1
98.34161	0.7
101.02449	1.5
103.65264	0.8
104.15479	0.7
113.02465	1.0
130.04214	4.1
134.03723	0.9
134.50760	0.8
136.95380	0.7
145.02895	0.8
149.02432	0.8
171.10269	0.7
173.02452	2.1
174.03214	29.6
175.03462	1.6
183.01192	1.8
206.02159	19.2
208.40547	0.8
211.13367	0.9
223.17029	3.9
223.29626	0.8
227.07178	0.8
229.08672	100.0
230.08955	6.3
235.17081	1.0
239.07173	0.8
251.11276	2.1
252.04242	2.1
262.09311	0.9
267.06644	3.7
290.93021	0.9
293.21143	2.7
296.03741	0.8
311.05603	6.8
311.13519	1.2
311.16669	3.8
311.22223	18.2
311.29810	1.0
312.22427	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	3.1
59.36374	0.7
69.03439	1.9
69.56236	1.4
69.56641	4.7
71.01370	2.4
87.94610	0.8
88.99352	0.8
89.02444	1.2
97.00534	0.8
97.02949	3.2
105.03417	1.2
107.05012	1.0
108.02144	1.0
109.02939	15.2
111.00892	0.8
115.00352	1.1
121.02956	0.9
123.04486	1.9
132.05782	0.7
133.01375	2.0
133.02948	9.9
133.06573	1.3
134.03754	1.2
135.04512	28.0
135.05539	1.6
136.04828	1.0
140.65465	0.7
143.05025	12.8
144.42616	0.7
145.02951	1.0
146.03726	3.2
147.04517	1.9
148.05344	0.9
149.02444	1.8
149.06056	14.6
151.03987	4.3
159.04488	3.4
160.05043	0.8
161.02432	2.4
161.06075	21.1
161.07419	1.1
165.05592	2.9
171.04509	15.3
172.05225	1.6
174.03233	5.5
177.01923	2.9
177.05560	11.3
177.06969	1.4
179.03485	2.4
187.04025	1.1
188.04733	1.7
189.05556	100.0
190.05884	5.1
190.28545	0.8
195.02931	4.3
207.06606	9.9
215.90727	0.9
219.06509	1.2
221.04526	5.2
231.06543	1.5
251.05585	1.1
261.00150	0.8
267.08621	1.3
311.07935	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	311.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11213	1.3
59.01377	10.1
60.39495	1.3
65.03948	2.3
69.70068	6.9
71.01382	16.3
77.03977	2.0
81.03439	2.2
85.02960	1.5
89.02422	2.0
95.05024	3.5
101.02470	2.3
105.03448	11.6
107.05010	7.3
107.62302	1.5
108.02161	3.7
109.02956	28.6
115.00352	8.4
121.02937	2.2
123.04533	7.8
133.01514	9.2
133.02956	100.0
134.03288	2.6
135.04550	12.0
143.05026	4.0
147.02988	1.7
149.06041	3.0
151.04008	19.8
153.17062	1.5
161.06067	5.7
171.04536	3.2
177.01967	8.2
177.05559	6.0
179.03395	4.5
181.05174	1.9
189.05565	25.8
195.01216	2.8
195.02989	46.6
196.03307	2.2
207.06619	2.4
267.06647	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	311.0562
Annotation	3-Carboxy-6,7-dihydroxy-1-(3',4'-dihydroxyphenyl)-naphthalene
Peak:m/z	Relative Intensity
59.01378	9.4
69.83054	1.9
69.83370	0.4
71.01398	0.5
72.99305	4.1
77.03992	0.7
79.01881	0.6
80.61496	0.4
81.03465	0.5
83.05021	0.4
88.82345	0.4
93.03452	1.1
98.20667	0.5
107.05017	0.6
108.02184	1.6
108.45009	0.4
109.02948	10.2
117.03471	2.0
121.02934	1.4
123.04522	0.9
133.02972	2.6
134.03734	18.4
135.04552	5.3
136.00711	0.8
136.01668	6.9
137.02446	3.7
145.02980	2.2
147.04507	0.5
149.02385	0.6
151.04034	7.4
159.04524	0.8
161.02431	1.4
163.04094	0.4
165.01871	0.5
167.08615	0.5
169.06613	1.6
174.03191	4.2
177.01991	0.6
178.02696	2.5
180.05812	1.5
182.00136	0.4
183.08105	1.0
193.06554	1.6
195.02975	1.9
195.04578	1.0
195.08191	1.9
196.05280	5.7
197.06018	1.4
198.03267	0.5
209.06111	1.8
210.06816	1.2
211.03989	5.2
211.07483	2.4
214.49367	0.4
221.06142	3.2
222.06781	1.3
223.04012	7.1
223.07494	2.2
224.04768	13.2
225.05519	3.6
231.10185	2.0
233.08141	0.7
235.03955	0.6
237.05577	4.7
238.06358	4.5
239.07108	10.5
240.07762	0.6
241.08777	0.7
248.04811	0.7
249.05527	2.9
250.06297	4.7
251.03499	7.2
251.06392	0.6
251.07092	0.6
252.04260	49.0
253.04619	4.8
254.05780	3.9
265.05048	2.6
266.05869	1.8
267.06598	49.7
268.04196	0.8
268.06934	4.0
269.08206	4.0
275.09198	0.6
281.04614	0.5
283.06177	6.8
283.09781	4.0
284.06503	0.7
284.10294	0.6
293.10364	3.4
296.03329	4.0
296.06683	0.8
296.10400	0.5
311.05652	100.0
311.09192	10.8
312.06015	6.9
312.09760	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00648	1.3
55.97240	1.3
57.16365	1.3
59.01377	10.7
69.16000	13.9
71.01382	13.0
72.99306	2.0
77.03962	1.9
81.03446	2.2
82.20449	1.2
89.02457	2.8
93.03452	1.4
95.05016	2.6
98.19939	2.9
101.02427	2.4
105.03459	11.2
107.05028	7.6
108.02164	4.9
109.02946	38.9
115.00367	9.0
121.02162	1.5
121.02992	3.2
123.04527	7.3
133.01479	9.9
133.02951	100.0
134.03320	2.9
135.04520	13.1
143.05014	4.6
149.06097	3.7
151.04018	24.1
154.33623	1.3
161.06056	6.0
163.96710	1.3
165.05577	1.6
171.04495	5.7
177.01881	7.0
177.05573	5.0
179.03448	1.9
181.05049	2.5
189.05562	27.4
195.02975	52.5
196.03319	2.1
207.06631	2.6
207.26935	1.4
221.04565	2.3
267.06482	2.6
311.12524	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	310.151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	86.8
60.01706	3.3
61.92535	2.6
70.11295	3.8
70.11685	3.0
71.01387	25.5
72.01725	2.0
73.02953	2.3
80.31586	1.8
85.02945	3.5
89.02451	21.6
90.02802	1.8
98.20541	2.2
99.20757	1.7
101.02428	10.7
101.06145	2.1
102.02752	2.0
109.02953	8.6
110.74670	1.7
113.02467	9.3
115.00334	3.3
119.03490	7.1
130.08742	100.0
131.09038	3.1
133.01408	4.0
133.02965	20.7
135.04529	7.7
143.05038	3.7
149.06075	5.1
161.04646	3.3
161.06093	4.8
163.67548	2.0
171.04512	3.3
177.01941	2.4
177.05548	9.0
179.05559	2.9
189.05583	26.9
195.02950	7.1
250.02161	2.9
251.11363	5.0
310.12131	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	309.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.8
62.53112	1.4
62.59402	1.3
69.03448	6.0
69.73513	8.2
73.93394	1.3
75.46508	1.4
83.05051	1.9
83.86250	1.4
97.02947	27.1
97.06588	2.5
109.06661	1.5
111.08177	2.0
119.08716	1.7
125.09696	3.5
135.35547	1.3
137.09702	4.7
153.90456	1.2
163.11296	5.2
165.12871	10.5
171.10301	15.9
181.12321	2.6
183.13922	1.9
193.12297	5.3
195.13962	2.1
209.11795	4.9
209.59773	1.4
211.13399	3.4
218.80563	1.3
223.13315	2.6
227.12871	5.4
239.12781	1.5
246.19569	1.4
247.20576	11.7
273.18619	4.1
291.19653	100.0
292.19934	7.0
309.20715	60.0
310.21060	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	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.4
59.01378	1.7
69.03439	0.7
70.70682	1.8
71.01375	0.7
73.02930	0.8
97.06577	2.0
109.28062	0.6
116.57126	0.6
123.08147	2.1
125.06067	1.6
125.09727	7.2
127.11285	1.8
137.09700	1.6
139.11267	1.8
141.09209	1.9
141.12804	0.8
153.09225	1.7
155.10808	1.3
171.10304	3.9
183.13911	1.4
199.09763	5.5
200.10518	8.3
201.11267	4.5
211.17090	0.8
213.11375	1.1
232.21498	0.8
247.20592	6.9
263.20157	1.0
265.21674	2.5
273.18729	1.4
281.21213	1.0
291.19690	14.1
292.19922	1.0
309.20709	100.0
310.21063	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	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88123	1.1
57.03431	1.8
58.01649	1.0
59.01377	2.4
69.03458	7.5
74.81422	1.2
78.43228	1.2
81.86156	1.1
83.05024	2.9
85.02924	5.2
90.43360	1.1
95.05029	1.4
95.91674	1.1
97.02946	66.3
111.08115	3.5
118.15937	1.2
119.08656	5.5
125.09668	2.1
135.08186	1.5
137.09726	23.2
148.90761	1.3
151.04016	2.4
151.07602	4.5
152.08417	6.4
153.09160	1.5
155.10857	1.6
171.10257	45.4
177.12749	2.3
179.37276	1.2
185.11795	2.9
195.13890	2.4
209.15428	7.9
211.13411	3.6
221.11884	6.3
239.12883	7.3
247.20532	1.9
265.17905	2.1
273.18512	4.1
291.19617	25.1
292.20242	1.5
309.17068	14.0
309.20639	100.0
310.21027	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	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59209	1.6
52.67691	1.7
59.01369	2.0
65.79531	1.4
69.03440	7.0
70.61034	3.0
76.72150	1.7
77.35213	1.8
91.89399	1.5
97.02943	4.5
111.18672	1.8
119.08651	14.7
121.10259	3.1
125.09726	6.4
127.11241	4.0
137.09718	26.7
139.11237	2.5
152.08383	2.6
155.10832	3.2
165.12965	1.5
167.10768	3.9
171.10260	100.0
172.10558	2.3
183.10242	3.3
185.11810	22.4
186.12091	1.8
187.09789	1.7
187.94353	1.6
201.11293	7.7
209.15457	3.4
211.13394	2.2
213.11357	10.3
221.77693	1.6
225.89769	1.7
247.20642	2.6
273.18484	6.1
291.19635	41.4
292.20093	3.1
309.17334	1.4
309.20694	42.6
310.20978	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	309.207
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
57.03426	6.2
59.01370	13.1
60.28513	2.2
71.01373	4.0
73.02940	17.2
95.01391	2.9
96.96008	5.5
97.06582	8.3
99.00879	4.0
111.08162	6.1
123.08130	4.1
125.09722	19.0
127.11259	8.3
137.09729	5.1
139.11374	2.6
141.09222	12.7
151.03984	8.6
151.07649	15.5
152.08423	9.7
153.09186	4.5
153.12801	9.2
155.10767	26.1
167.10753	5.1
167.39668	2.0
171.10252	30.7
181.12296	6.6
183.01215	5.0
183.13869	28.3
184.07463	3.1
185.11821	27.0
197.11830	7.5
199.13380	3.4
207.13867	5.8
208.34885	2.9
209.02702	2.6
209.15462	23.6
211.13406	15.3
215.12830	3.0
223.04233	7.7
224.04861	2.4
229.70998	3.1
245.19029	2.5
247.20628	5.3
252.10030	4.4
265.18039	5.1
265.21579	2.7
273.18448	5.7
281.21317	13.8
282.76923	2.4
291.16385	1.9
291.19617	51.2
309.15244	50.3
309.16904	25.7
309.20688	100.0
310.15451	4.9
310.20779	10.8
314.30127	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.0
59.01373	2.3
59.56650	0.8
61.98771	0.9
67.01882	2.8
69.73743	4.5
71.01382	1.1
83.05016	1.6
88.59238	0.9
94.92126	0.8
95.04997	1.0
97.06578	1.6
100.46836	0.7
102.27353	0.8
105.72575	1.0
111.08149	3.7
121.10242	9.6
125.09727	5.9
127.07639	1.1
127.99696	1.0
130.12137	0.9
137.09717	7.8
167.14415	1.9
171.10268	13.3
177.12865	1.1
185.11807	8.7
195.13841	1.4
197.11763	3.9
209.11957	1.3
211.13382	57.7
212.13721	2.9
247.20615	1.7
251.16495	1.6
273.18643	2.2
291.19656	100.0
292.19962	6.9
309.11520	1.0
309.20660	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	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	2.3
59.01357	1.7
70.50822	2.8
70.51188	2.3
88.09730	1.2
91.22630	1.3
93.07095	1.4
111.08155	31.4
112.08448	1.8
119.08643	1.5
127.07619	3.4
137.09688	3.0
151.11203	1.4
167.10820	1.5
169.12289	7.6
171.10219	4.7
181.12286	2.2
183.13760	1.9
185.11812	1.4
197.11807	100.0
198.12167	4.4
199.13344	3.7
211.13344	10.7
227.12886	2.9
263.20062	6.3
265.18073	2.7
291.19638	21.0
292.19946	2.9
309.17230	2.5
309.20673	32.9
310.21030	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	309.2069
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
57.03440	2.8
59.01370	2.0
69.03432	3.4
70.51031	4.5
70.93681	1.4
73.76620	1.5
80.78620	1.4
83.05065	1.4
94.58444	1.4
107.08658	2.4
119.08662	21.0
121.10249	1.9
123.08223	2.0
125.09713	6.0
127.11311	3.1
135.08202	2.1
137.09721	31.8
138.10158	1.8
139.11295	1.6
150.39943	1.6
151.11336	2.3
155.10771	3.7
167.10782	3.0
171.10265	100.0
172.10603	3.2
183.10329	5.6
185.11821	22.1
195.10269	3.5
197.11761	2.6
201.11357	5.4
209.15468	2.0
213.11324	5.6
229.19595	3.4
260.03900	1.6
273.18613	9.6
291.19635	30.7
292.19806	2.2
296.53937	1.6
309.17697	2.1
309.20703	59.8
310.21011	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	309.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	23.9
70.50622	1.5
71.01387	0.7
79.95747	1.6
80.96488	0.5
82.11636	0.5
95.95228	0.5
96.96008	11.7
99.00871	0.8
122.97585	0.6
134.19746	0.5
151.04005	1.6
151.07649	3.1
152.08403	2.3
176.37646	0.5
198.77429	0.5
209.15457	4.2
227.20161	100.0
228.20488	7.3
245.89584	0.5
252.10246	0.7
265.18289	0.8
291.16275	0.6
291.19476	0.7
309.17239	16.2
309.20547	17.0
310.17511	2.1
310.20877	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17192	0.9
52.32165	0.9
63.86270	0.8
69.33522	7.8
71.01379	20.9
89.03979	2.8
89.99247	1.0
108.90964	0.9
115.00371	12.2
117.03488	8.1
123.21088	0.8
133.01424	10.1
134.03738	74.8
135.04086	2.6
137.02390	1.3
149.06114	5.7
178.02695	5.3
193.05046	100.0
194.05394	3.3
301.82962	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	309.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56237	0.9
57.03418	1.3
58.00583	3.3
59.01376	100.0
60.01710	1.2
71.01377	47.9
72.01690	1.1
72.99300	4.2
73.02960	2.6
75.00877	1.4
83.01382	2.4
85.02947	12.0
87.00880	2.1
89.02438	50.7
90.82652	1.0
95.01393	3.1
99.00854	1.2
101.02444	30.6
113.02455	17.2
115.00394	1.0
119.03503	24.0
119.04976	1.1
128.03560	1.4
129.05585	3.6
131.03542	1.6
133.01421	1.1
133.02957	2.3
135.04535	3.7
143.03421	2.0
145.02960	1.4
147.06647	13.0
149.02431	3.9
159.04576	1.8
161.04568	3.0
162.78731	1.0
163.04016	3.5
173.02354	1.9
174.03165	1.1
175.04004	2.6
177.01920	2.4
177.05522	1.5
179.05594	2.8
186.03232	1.0
187.04013	16.3
190.02658	1.5
191.03473	7.4
205.05052	9.1
218.36484	0.9
219.02950	1.8
249.03972	1.8
265.07071	1.6
297.22714	1.1
309.06726	6.0
309.11884	94.2
310.12259	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	309.119
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
50.14561	1.0
57.03431	1.7
58.00586	2.6
59.01380	89.2
60.01663	0.9
64.50055	0.9
69.45695	6.7
71.01381	43.0
71.05025	1.0
72.99309	2.9
73.02930	2.6
77.78262	1.1
79.63422	1.2
83.01392	3.3
85.02947	7.8
87.00837	1.8
89.02444	43.3
89.03017	2.1
95.01372	2.9
99.00836	1.3
101.02440	25.5
113.02454	14.7
119.03500	20.0
124.01671	1.1
125.76844	1.0
128.03568	1.5
129.05588	7.4
131.03532	1.2
143.03461	2.0
147.06631	9.1
149.04538	2.1
161.04536	2.6
162.76706	1.0
177.01900	1.5
179.05574	2.9
200.12343	1.1
233.23209	0.9
233.66284	1.1
265.07162	1.6
267.10867	1.9
299.10919	1.0
309.06140	5.1
309.11896	100.0
310.12268	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	309.1189
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
50.94977	1.0
55.01872	1.8
57.03433	1.2
58.00593	3.3
59.01377	94.6
68.14356	1.0
69.02454	1.0
71.01377	55.1
71.48760	2.3
72.99300	5.1
73.02946	1.6
83.01371	4.1
85.02934	7.6
87.00881	1.4
89.02441	57.2
95.01398	3.9
101.02431	33.2
113.01708	2.1
113.02442	20.2
119.03491	26.6
121.02923	1.0
125.02479	1.4
129.05620	1.4
131.03476	1.3
133.01399	2.1
133.02927	1.7
137.02455	1.5
143.03581	2.1
144.15938	1.2
147.06561	2.1
148.53609	1.0
149.02417	3.3
159.04492	1.7
161.04530	2.5
161.05962	1.3
163.03975	1.8
175.03992	3.7
177.01961	6.5
177.05595	2.6
179.05612	3.0
187.03993	4.1
188.08936	1.0
190.02731	2.2
191.03375	1.9
193.04866	1.0
193.15292	1.1
205.05046	4.1
219.02977	1.8
219.06343	1.4
238.15961	1.0
265.07089	1.9
277.19833	1.1
291.39688	1.1
309.06577	13.7
309.11880	100.0
310.12280	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	307.2277
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
52.08124	1.8
59.01375	14.5
69.03398	1.8
71.01379	5.6
71.41564	2.5
85.02934	2.1
89.02425	1.9
116.92818	2.4
131.24321	1.7
135.04506	4.8
179.03479	5.4
195.13895	2.7
215.18872	2.0
223.13365	10.9
231.21121	7.6
241.59276	2.4
275.20135	100.0
276.20374	7.5
307.10355	8.6
307.19217	2.9
307.22778	56.8
308.23044	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	308.1867
Annotation	6-Hydroxynobiline
Peak:m/z	Relative Intensity
51.61572	0.2
58.02975	1.3
59.01374	0.9
71.01380	0.2
71.50624	0.2
71.50985	0.2
80.96522	0.6
81.03446	0.5
95.01410	0.2
95.05032	0.5
97.06553	0.3
109.06580	0.5
114.09240	6.5
116.07172	100.0
117.07520	1.9
158.08133	0.5
165.12840	0.4
180.33752	0.2
180.35211	0.2
186.45143	0.2
193.05099	0.2
196.77292	0.2
290.10846	0.2
308.18643	25.6
309.03909	0.3
309.18677	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	309.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14990	1.0
69.36983	8.6
71.01385	20.1
72.99306	2.2
89.02448	1.2
89.03989	1.4
108.51357	1.0
114.00653	0.9
115.00382	36.8
117.03457	5.2
133.01439	84.2
134.03751	100.0
135.04054	3.8
149.06059	3.6
193.05064	72.3
194.05424	2.4
209.54974	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2279
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
53.72438	0.4
59.01365	0.4
69.14178	0.4
71.19592	0.4
93.53596	0.4
96.54409	0.4
107.26059	0.4
133.97964	0.4
179.03468	0.5
208.65619	0.5
247.75986	0.4
295.34763	0.4
307.22775	100.0
308.23114	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	307.2279
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
59.01384	8.6
71.01383	3.0
85.02951	2.1
88.36201	1.0
89.02457	1.4
113.02540	1.3
115.70879	1.0
125.09751	1.2
135.04526	1.9
149.09750	1.2
161.04524	1.6
170.71725	1.0
171.10205	1.2
177.16425	1.3
179.03520	2.5
199.02330	1.0
223.03017	1.1
231.21150	6.8
257.19284	1.1
275.20148	100.0
276.20523	7.9
291.08975	1.4
307.10339	3.4
307.19382	1.5
307.22794	24.6
308.06076	1.1
308.23087	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
57.03434	13.4
59.01381	43.9
60.17218	4.1
61.98830	5.5
66.44887	5.0
69.03448	8.3
70.62126	10.2
70.62492	7.9
71.01366	21.6
78.00466	4.2
83.05006	7.2
85.02933	11.3
89.02444	8.4
96.95975	5.2
97.06580	16.0
98.20016	6.4
101.02435	8.8
102.23524	4.6
106.04177	4.6
107.05000	4.5
107.08605	5.0
111.08159	12.4
121.06579	13.7
125.09688	14.6
135.04504	17.8
135.08206	5.6
137.09732	8.3
145.02899	5.7
151.11288	23.5
153.09160	8.4
155.10754	13.0
161.04565	4.7
163.11292	8.8
165.12807	31.1
167.10765	6.6
171.10280	23.5
179.03444	18.6
179.10808	6.5
181.12328	27.6
185.11813	40.1
191.10762	10.9
191.14334	12.3
209.11850	52.9
211.13374	11.7
239.09253	5.0
245.19046	41.5
261.18506	8.0
263.20102	11.2
271.17270	5.6
279.19751	10.0
289.18060	48.5
290.18686	7.0
303.89441	5.3
307.10233	20.6
307.19098	100.0
308.19330	10.3
309.74048	4.8
321.61441	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	307.2279
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
55.54668	1.2
57.14353	1.2
59.01381	9.8
61.98831	1.6
64.72453	1.1
69.03501	1.1
71.01378	3.9
73.02976	1.3
76.32341	1.1
80.21419	1.4
85.02966	1.2
87.90141	1.3
97.03001	1.3
98.19913	4.3
101.02482	1.8
103.04029	1.7
135.04515	3.2
229.19389	1.5
231.21136	5.2
275.20135	100.0
276.20538	10.3
294.62637	1.3
307.10385	4.1
307.19281	1.6
307.22754	24.1
308.23074	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1917
Annotation	Soraphen O
Peak:m/z	Relative Intensity
57.03450	2.4
59.01378	5.7
61.98840	1.1
69.03461	2.4
71.01383	2.5
71.06353	1.2
71.06676	1.7
73.02956	1.3
78.56424	0.9
85.02966	1.2
85.49915	0.9
93.07082	1.2
97.06603	2.3
103.75148	0.9
107.08672	13.3
113.06092	1.4
119.08691	3.9
121.10239	12.6
123.08163	3.4
125.09753	7.5
127.11324	1.2
135.04425	1.2
135.08183	1.9
137.09711	4.9
141.09204	2.0
153.09326	1.2
155.10770	3.6
164.08272	1.3
171.10263	4.4
179.03456	1.2
181.12311	2.3
183.13887	1.7
185.11816	1.2
191.14409	1.3
199.09750	17.3
200.10590	4.6
201.11328	1.6
201.55272	0.9
209.15514	2.0
213.11354	6.2
245.19119	13.9
261.18607	3.5
263.20151	4.9
279.19678	2.3
285.13623	0.9
289.18115	21.1
290.18509	1.7
307.02756	1.0
307.19165	100.0
308.19498	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	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	5.5
58.91393	1.6
59.01377	13.4
61.98798	2.2
69.03443	3.4
69.84313	5.8
71.01381	4.9
78.99747	1.5
79.95733	4.9
80.02682	1.6
80.96477	1.9
81.03443	5.1
83.01378	9.6
83.05025	3.7
85.02966	2.3
89.02432	2.1
92.76442	1.5
95.05016	5.1
97.02945	4.6
97.06586	11.8
98.19990	2.2
99.47038	1.5
101.02414	2.6
103.04027	1.6
105.82874	1.6
109.02950	2.0
109.06564	2.1
111.08063	1.6
121.02917	1.5
121.06615	3.5
123.04545	11.5
123.08140	5.9
125.06088	2.4
125.09715	19.4
135.04547	4.8
135.08160	4.4
137.06093	2.1
137.09715	16.2
141.12846	5.4
149.06012	2.9
151.11263	3.1
163.07591	1.8
163.11278	16.3
165.09152	2.4
165.12872	4.2
171.10248	3.3
177.12833	1.7
179.03494	5.0
179.10794	2.9
181.12325	5.4
185.11801	26.1
191.10770	4.2
191.14401	22.9
207.10219	10.4
209.11823	30.9
210.12077	2.6
214.15219	1.6
217.15982	3.6
225.11302	10.8
233.15419	6.5
245.16676	3.4
245.19077	46.5
246.19412	4.3
250.25070	1.8
255.17087	1.7
263.20114	4.3
269.18674	1.6
271.16989	5.1
286.04291	1.5
289.18079	100.0
290.18500	8.3
307.10233	6.2
307.13681	3.2
307.19125	59.6
307.22592	3.6
308.19208	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	307.1914
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
59.01380	5.2
69.03430	0.9
69.48301	3.9
71.01385	2.2
71.05037	1.8
72.99335	0.8
73.02930	0.8
74.49787	0.6
80.02657	0.8
81.03452	1.3
83.05022	7.3
83.21384	0.5
85.02949	1.1
89.02451	0.9
93.03506	0.7
95.05038	1.3
96.96018	1.6
97.06574	1.1
98.19975	0.8
99.08156	0.9
101.02413	1.1
109.06595	4.7
111.04496	1.3
119.03575	0.8
119.05009	0.7
121.06581	1.0
127.07603	0.9
135.04498	2.1
143.07141	1.1
148.08920	1.9
149.09740	1.2
150.10446	1.3
151.11279	2.6
161.04510	1.2
163.11264	2.9
165.12814	8.1
171.10292	0.8
174.62790	0.6
177.12813	1.0
179.03551	1.6
186.81358	0.7
190.09865	0.6
205.15979	15.6
233.19199	1.4
235.13408	1.5
243.17551	2.6
245.19110	1.4
261.18576	18.6
262.18924	1.7
272.12408	0.7
289.18097	26.8
290.18430	1.6
307.10266	1.8
307.19144	100.0
308.19479	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15913	0.2
54.32812	0.2
59.01365	0.8
59.63369	0.2
59.96707	0.4
69.10242	0.2
71.01366	0.5
73.96783	0.2
74.98638	0.4
74.99067	7.3
75.41594	0.2
75.96233	0.2
85.22257	0.2
89.02451	0.3
91.02206	2.4
91.56403	0.2
93.00123	1.9
95.52949	0.2
98.69530	0.2
133.66301	0.2
135.04475	0.3
143.05293	0.5
149.00960	2.8
159.08453	7.7
160.08809	0.2
160.33037	0.2
161.04559	0.2
161.05074	0.2
161.06372	1.5
170.42963	0.2
179.03517	0.3
192.98065	0.8
204.64070	0.2
206.99747	1.4
209.01254	3.3
217.07198	1.1
223.02812	49.8
224.02835	3.8
225.00635	0.3
241.03824	0.5
265.26666	0.2
275.05917	0.4
289.07510	1.8
291.09076	100.0
292.09210	10.5
307.12549	2.0
307.19257	0.4
309.10107	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1915
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
55.01891	2.0
56.48427	1.8
57.03444	6.5
59.01373	7.2
64.55470	1.5
65.03962	64.9
69.03446	5.0
71.01384	3.4
71.04640	3.1
71.05019	41.5
71.41395	1.8
71.41743	2.3
76.04591	1.5
81.03437	2.5
83.05033	8.1
93.03452	11.5
95.05028	1.7
97.06583	67.9
101.02412	1.9
107.08554	1.9
108.90079	1.9
109.06526	2.7
111.08160	1.8
117.07105	6.3
119.08672	22.7
121.06593	100.0
122.06886	2.2
123.08166	5.0
125.09715	47.4
126.10059	2.0
129.09171	2.1
133.06592	3.7
135.04521	3.6
135.08156	35.7
137.09708	5.3
138.06834	3.6
153.44572	1.6
161.04544	1.8
171.10252	29.1
179.03481	2.8
185.11824	77.1
185.13493	3.9
186.12140	3.7
203.30809	1.9
205.08754	2.1
205.15926	2.1
205.83949	1.8
209.11807	37.2
211.13400	41.3
212.13657	1.9
221.15613	2.0
231.06615	3.5
233.15443	8.7
235.13387	96.5
236.13715	4.5
245.19022	3.6
249.14954	12.1
261.07730	2.3
271.16840	2.9
279.19568	3.7
289.18079	66.6
290.18506	4.5
293.07446	1.7
307.19138	45.4
308.19501	4.5
309.17154	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	304.192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47967	0.3
58.02976	42.6
67.80074	0.3
69.31702	0.3
70.02672	1.2
122.45578	0.3
132.41745	0.3
143.56340	0.4
168.13943	100.0
169.14287	4.9
212.12904	3.4
249.65753	0.4
304.19147	0.9
310.83728	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1141
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
57.03453	0.5
59.01377	3.0
65.99836	0.4
71.01373	2.1
71.49876	0.4
73.02949	0.7
79.11009	0.3
81.14893	0.3
82.02970	3.9
83.01362	0.3
85.02947	1.1
86.03345	0.2
89.02444	0.8
89.96361	0.3
90.93968	0.2
92.05076	0.3
94.02987	2.1
96.04551	5.3
97.02921	0.6
99.00947	0.3
101.02448	2.0
113.02437	0.8
119.03539	0.4
120.04568	1.0
122.02424	0.6
122.03738	5.6
122.06110	1.7
123.15862	0.3
125.32863	0.3
128.57004	0.3
135.04544	0.3
136.04051	1.2
138.05606	100.0
139.06003	3.1
149.04811	0.4
150.05629	0.4
161.04634	1.1
174.05614	0.5
175.03946	0.5
188.07147	0.9
189.01939	0.8
190.08682	0.6
191.08105	0.3
202.08771	0.8
203.03500	0.8
215.08208	0.3
216.10292	0.8
217.06238	0.8
218.06920	2.3
218.11848	1.7
229.06032	0.3
233.09279	4.9
234.09593	0.4
244.09781	1.0
245.09404	0.5
261.12418	9.9
262.12851	0.6
287.10443	1.8
287.14078	1.3
305.11420	14.4
306.11884	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	305.2486
Annotation	5(Z),8(Z),14(Z)-Eicosatrienoic Acid
Peak:m/z	Relative Intensity
59.01368	0.8
69.12780	4.2
71.01389	0.9
113.06017	0.4
118.37025	0.4
155.10751	0.4
177.82523	0.4
224.12859	0.4
305.24838	100.0
306.25177	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	306.9756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27850	0.2
61.98829	100.0
69.66418	0.2
69.74067	1.1
91.64289	0.2
98.20698	0.2
100.63743	0.2
106.02471	0.2
113.58775	0.2
121.02966	0.4
135.21799	0.2
136.52725	0.2
145.12962	0.2
161.98975	1.5
162.98515	0.9
163.98605	0.5
164.96391	67.6
165.96498	3.5
201.95238	0.2
206.97443	27.8
207.97505	1.5
222.95419	0.3
264.96408	0.3
306.97537	20.3
307.97598	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	307.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.2
62.46379	0.3
63.78484	0.3
64.44301	0.3
68.71506	0.3
70.90862	0.9
71.00777	0.3
71.01366	0.6
74.99066	6.2
91.02223	1.9
93.00116	1.7
116.16698	0.4
135.04475	0.4
143.05380	0.6
144.95227	0.4
149.00938	2.7
159.08463	6.4
161.06389	1.3
166.20946	0.3
192.98027	0.6
206.99698	1.7
209.01196	2.5
217.07187	0.7
223.02823	50.4
224.02849	3.8
241.03886	0.5
289.07529	2.3
291.09088	100.0
292.09232	10.2
307.12439	2.4
309.10135	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1657
Annotation	Viridamine
Peak:m/z	Relative Intensity
50.21394	0.4
56.49223	0.4
60.97500	1.2
65.53352	0.3
70.80258	0.9
70.80590	0.5
74.99068	0.7
78.17368	0.4
83.91295	0.4
91.34325	0.4
94.13924	0.4
118.96265	1.8
125.55750	0.4
134.99394	6.2
136.97308	1.8
143.05336	2.7
147.26152	0.4
159.08498	1.2
161.06375	5.0
201.04076	0.7
203.05656	3.1
204.49864	0.4
205.03606	0.9
215.05707	1.2
217.07190	84.5
218.07353	5.2
222.78052	0.4
245.84163	0.4
252.68117	0.4
283.11942	0.6
285.13452	38.3
286.13611	2.7
301.16574	100.0
302.16785	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	301.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66169	0.1
55.23503	0.1
56.92987	0.1
59.01381	0.8
63.46859	0.1
70.99119	0.4
71.01367	0.2
80.16542	0.1
89.02439	0.4
91.04011	0.8
94.10732	0.1
97.06578	0.2
111.08114	0.3
143.42577	0.1
165.12842	3.5
166.13115	0.2
183.13892	100.0
184.14227	5.4
191.28984	0.1
209.11801	2.4
210.12125	0.2
227.12878	4.2
228.13097	0.3
265.10956	0.2
274.27945	0.1
293.78888	0.1
301.16574	9.6
302.16861	0.8
311.86264	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	301.108
Annotation	Daibulactone A
Peak:m/z	Relative Intensity
57.39143	0.7
59.01376	1.2
67.01885	1.0
70.36852	2.2
71.01373	2.7
83.01367	1.4
95.01369	4.0
106.04224	2.1
109.02944	1.4
111.00880	6.9
113.97198	0.8
121.02945	15.3
123.00882	1.6
124.01677	5.6
133.02945	1.9
139.04015	6.9
143.05066	0.9
145.02928	2.0
147.04527	8.7
157.06573	1.0
158.03665	3.3
159.04526	7.0
161.02458	10.1
161.09721	1.5
162.39389	0.8
169.06602	2.6
171.04515	1.2
171.08176	1.4
172.05244	1.4
173.02519	0.9
173.06038	4.8
174.03227	2.4
174.06882	8.6
175.04074	4.0
175.07547	0.8
181.06618	1.2
183.04446	1.1
183.08197	1.8
183.13954	0.9
185.02431	1.3
185.06125	8.2
185.09708	4.5
186.03152	2.4
187.04016	4.9
187.07588	3.5
188.08406	1.2
189.09225	16.6
195.08127	2.3
197.06068	3.5
197.09584	1.1
198.03194	0.8
198.06795	3.0
199.04024	0.9
199.07645	21.1
200.08403	23.4
201.09210	14.1
202.09956	5.1
204.77623	0.8
209.06061	4.1
211.03986	8.1
211.07579	2.0
212.08394	2.1
213.05487	0.9
213.09222	13.9
214.06319	2.7
214.09697	1.1
215.10753	100.0
216.11095	6.9
222.06805	0.9
223.07631	5.0
224.08261	1.4
225.05560	19.8
225.09082	8.6
226.06227	5.6
226.09731	0.9
227.07124	6.1
229.08681	7.4
230.09190	1.5
239.07054	3.1
240.07961	5.7
241.08688	78.1
242.09154	5.8
243.10144	1.6
245.11786	21.3
246.12128	1.5
253.08650	1.4
254.05740	0.8
257.11902	2.8
258.08972	2.4
259.09601	1.4
261.02191	1.0
268.07339	2.3
269.08151	15.5
270.08835	1.0
273.11292	9.7
274.11383	1.0
283.09818	2.2
286.08435	3.7
300.99942	2.2
301.10791	69.0
301.21857	1.6
302.11200	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	301.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04206	0.5
51.68338	0.5
57.03493	1.1
59.01436	4.1
69.03500	0.5
69.18573	5.0
71.01422	0.5
71.05065	1.0
80.04675	0.7
80.05125	2.2
85.06624	1.1
94.06676	0.7
106.06606	5.1
107.01435	0.5
108.04554	21.9
113.06061	0.6
115.07647	5.3
121.05394	2.1
122.06184	1.5
124.07678	11.7
125.17317	0.5
127.09227	0.5
135.04562	0.7
136.07675	47.9
137.08011	1.0
139.11311	3.1
140.07262	0.9
145.94917	0.5
150.05589	3.9
151.00375	1.2
165.04385	0.5
167.32288	0.5
168.06683	0.8
182.65428	0.5
211.13420	1.4
213.13940	1.3
214.12497	0.5
227.08232	0.7
228.08994	0.7
233.31355	0.5
239.11958	1.4
242.10551	1.5
257.12933	100.0
258.13257	5.3
300.99841	1.3
301.03442	1.8
301.12027	8.3
301.20139	36.6
302.20370	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	301.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.3
59.01368	0.8
69.15765	1.0
69.16196	1.9
80.02477	0.2
89.02447	0.5
91.04005	0.8
92.81902	0.3
97.06593	0.3
97.16160	0.3
98.20766	0.4
111.08156	0.3
127.85848	0.2
131.31134	0.3
139.03979	0.4
165.12840	3.6
183.13898	100.0
184.14233	4.8
190.75923	0.3
209.11810	2.4
227.12898	4.2
300.99783	0.4
301.11227	0.5
301.16565	9.0
301.19946	0.4
301.21884	0.6
302.16913	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0564
Annotation	fludiazepam
Peak:m/z	Relative Intensity
51.40391	0.5
62.67857	0.5
64.53725	0.5
64.69604	0.5
69.03465	2.1
70.90284	1.2
73.24678	0.4
73.38910	0.5
74.62900	0.5
79.01894	0.8
81.03467	1.0
83.01401	0.9
91.86445	0.5
93.30633	0.6
95.01381	1.0
97.02921	2.7
107.01389	1.7
120.65460	0.6
123.00869	3.0
124.01671	16.6
125.02454	51.6
126.02800	1.1
137.46408	0.5
149.99591	29.2
151.00465	2.8
151.01474	0.6
168.00650	70.0
169.01434	7.1
188.67250	0.5
254.57253	0.5
283.04633	7.1
284.04987	0.6
300.73813	0.5
301.05643	100.0
302.05972	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	301.0926
Annotation	1-beta-D-Glucopyranosyloxy-3-methoxy-5-hydroxybenzene
Peak:m/z	Relative Intensity
52.03667	0.3
53.73335	0.3
54.19470	0.2
61.43550	0.2
69.24132	2.2
71.18980	0.2
79.70988	0.2
83.01411	0.2
93.03462	6.1
94.03812	0.3
95.52060	0.2
97.72607	0.2
121.02954	7.4
123.00893	2.2
124.01651	1.0
125.02444	4.0
126.02753	0.3
137.02428	0.6
138.03239	1.3
138.92337	0.2
139.04010	100.0
140.04340	3.3
149.99608	1.6
151.00342	1.0
151.04117	0.2
159.86667	0.2
165.01939	0.9
168.00635	4.6
169.01396	0.7
246.21068	0.2
283.04431	0.3
287.13705	0.3
301.05655	7.3
301.09286	2.3
302.06027	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.108
Annotation	Daibulactone A
Peak:m/z	Relative Intensity
57.03435	1.4
59.01364	3.1
61.98828	2.2
62.66303	1.5
71.01383	3.9
71.50776	2.0
74.69720	1.4
83.01394	1.5
87.87222	1.5
93.59602	1.3
95.01376	2.1
97.06589	2.0
100.67576	1.3
105.73685	1.3
106.04242	2.1
111.00886	6.9
121.02961	13.2
123.00899	4.4
125.02451	2.0
125.09739	6.6
138.03265	2.6
138.05606	1.6
139.03992	3.1
139.05913	1.8
147.04546	6.9
158.03780	3.2
159.04515	7.8
161.02365	1.8
161.09769	1.7
169.06604	1.8
172.05341	1.7
173.06110	5.5
174.03217	2.5
174.06876	5.8
175.04008	4.6
181.06483	2.0
183.13918	3.6
185.02437	2.1
185.06036	8.0
185.09680	4.1
187.03967	3.4
187.07657	4.0
187.09738	7.9
189.09209	19.5
197.06107	3.3
197.09784	2.1
198.06804	1.8
199.07608	22.1
200.08414	23.2
201.09160	12.4
202.09854	2.9
209.06158	3.2
211.04013	7.4
211.07698	2.1
213.02005	1.9
213.05589	1.6
213.09233	11.2
214.06392	2.5
215.10759	100.0
216.11113	5.7
221.19125	7.4
222.87917	1.5
223.07596	3.9
224.08310	3.8
225.05580	20.0
225.09070	7.1
226.06218	3.8
227.07179	5.2
229.08665	6.9
239.07121	3.1
240.07903	6.0
241.08708	79.5
242.09085	5.0
245.11809	18.9
265.18130	4.9
269.08185	14.1
273.11420	6.3
283.02383	2.9
283.09744	2.9
283.19189	6.9
286.08521	3.8
301.00052	7.9
301.03229	2.7
301.10818	62.0
301.16522	5.7
301.20380	26.1
302.11273	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	300.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00327	0.4
57.47814	0.1
58.00606	0.1
58.01028	0.1
59.01379	2.3
68.01412	2.8
71.01395	0.9
71.49539	0.2
73.02924	0.2
85.02949	0.3
87.00880	0.2
87.05586	0.2
89.02447	0.5
95.05032	0.2
96.04555	0.3
101.02451	0.2
109.01707	0.3
109.02953	0.2
110.02499	0.2
110.06103	0.4
116.07224	0.3
122.02470	0.8
122.06154	0.3
123.03271	6.3
124.04017	0.4
124.07675	1.3
125.06078	0.2
130.08751	1.1
133.01476	0.2
136.07718	0.9
137.04843	1.1
138.05605	100.0
139.05960	3.0
140.07234	0.2
148.07672	0.2
150.05594	0.3
152.03500	0.4
152.07150	1.3
166.08742	0.6
167.05873	2.3
168.06624	0.7
169.09837	0.2
180.06657	5.0
181.07071	0.2
183.05138	0.1
185.16589	0.3
210.07687	0.7
240.08707	0.3
300.10876	14.0
300.19061	0.9
301.11288	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0563
Annotation	fludiazepam
Peak:m/z	Relative Intensity
56.81928	0.5
69.03456	2.2
70.55450	0.6
70.55779	1.2
71.01365	1.3
73.94225	0.6
79.01892	1.6
81.03448	1.3
83.01382	1.3
86.68433	0.6
93.03465	1.0
95.01390	1.5
97.02937	2.9
99.03167	0.6
104.41432	0.6
107.01395	2.5
109.85178	0.5
121.02946	2.3
123.00886	4.7
124.01657	19.2
125.02441	63.0
126.02776	1.9
135.04552	0.6
137.02463	0.9
139.04015	16.6
140.04364	0.6
149.99573	32.5
151.00340	3.4
165.01906	0.6
167.03445	0.9
168.00630	79.9
169.01389	11.6
170.01727	0.5
283.04581	6.9
301.05634	100.0
302.05957	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	299.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14714	0.7
55.01887	0.7
57.03452	1.0
58.00586	3.4
59.01382	90.3
59.79460	0.6
71.01385	49.7
72.99301	3.9
83.01382	2.0
85.02960	8.0
87.00893	1.8
89.02449	63.5
93.03459	23.0
95.01399	2.9
98.19893	2.8
99.00889	0.8
101.02451	27.6
108.02170	4.0
109.02968	1.8
111.31318	0.9
113.02455	18.5
117.04199	0.6
119.03526	26.4
119.05025	33.0
120.05352	1.2
123.03268	9.7
131.03471	1.2
137.02449	39.1
137.04842	1.4
137.06071	2.7
138.05618	100.0
143.03491	1.9
149.04576	1.5
152.01192	2.0
153.01826	1.0
159.77426	0.6
161.04616	1.9
179.05635	2.0
180.06613	1.6
210.70760	0.7
220.59140	0.7
254.73772	0.8
299.07867	2.5
299.11340	2.6
300.10904	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84482	0.3
59.01376	2.9
60.01734	0.3
63.43459	0.2
64.36716	0.2
68.01410	0.7
69.55788	1.1
69.56197	0.4
71.01369	2.3
72.01698	0.6
76.51865	0.2
81.40127	0.3
81.40688	0.3
85.02984	0.4
89.02433	2.1
90.02760	0.7
93.03441	2.3
94.03796	1.3
95.05002	0.5
95.84701	0.3
98.19919	0.6
101.02445	0.9
102.02721	0.3
113.02453	0.5
114.02759	0.4
119.03473	0.5
119.05030	0.6
120.05356	0.7
122.02464	0.4
123.03252	11.4
125.02473	0.2
132.65643	0.4
136.07689	0.3
137.02434	2.9
137.04799	0.9
138.02779	2.8
138.05597	100.0
139.05942	3.0
152.07132	0.4
165.04332	0.3
167.05859	0.3
171.04279	0.3
175.34128	0.3
180.06651	1.7
185.89311	0.3
300.10864	4.9
301.05630	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00331	0.5
58.00605	0.2
59.01381	3.1
68.01405	2.9
71.01372	1.3
72.01749	0.3
72.99311	0.3
74.47580	0.2
85.02960	0.4
89.02452	0.8
90.02760	0.4
95.05028	0.3
96.04553	0.5
97.90009	0.2
101.02482	0.4
110.06176	0.3
113.02461	0.3
113.35141	0.2
122.02485	0.8
122.06133	0.4
123.03264	6.0
124.04031	0.3
124.07738	1.2
136.07678	0.5
137.04828	1.1
138.05602	100.0
139.05948	2.7
152.06099	0.3
152.07152	1.8
161.04547	0.2
166.08742	0.3
167.05875	2.0
168.06577	0.8
180.06650	6.0
210.07672	0.8
222.07893	0.3
240.08817	0.3
264.53970	0.2
300.10861	13.7
301.11200	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.7
58.00583	3.6
58.83647	0.8
59.01379	97.0
69.35815	7.4
71.01379	55.8
72.01699	0.8
72.99319	4.5
73.02952	1.5
80.33188	0.8
81.73911	1.0
83.01373	2.6
85.02948	10.1
87.00877	2.2
89.02442	75.0
90.02758	1.2
93.03457	15.8
94.03787	1.0
95.01382	4.2
98.20670	1.7
98.78978	0.8
99.00873	0.9
101.02439	32.1
102.03812	0.8
106.48943	0.7
108.02157	4.3
109.02959	0.8
113.02446	23.2
119.03520	30.5
119.05014	39.4
120.05379	1.9
123.03257	10.8
131.03510	1.8
135.04524	0.9
137.02448	28.9
137.04774	0.9
137.06064	2.8
137.18829	1.0
138.05603	100.0
143.02382	1.0
143.03510	3.0
149.04562	1.8
152.01141	2.9
161.04543	1.8
179.05574	2.9
180.06625	1.7
273.97305	0.9
299.07681	3.9
299.11383	3.3
300.10867	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.056
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
59.01336	1.1
63.02384	0.6
70.36360	1.5
83.01360	1.1
107.01346	1.4
124.88482	0.4
125.02380	0.5
132.02119	0.8
134.03738	0.8
137.02399	0.6
138.05586	0.5
151.00369	3.0
153.28857	0.4
155.32516	0.4
158.03609	0.5
161.39720	0.4
187.04041	0.5
199.03876	0.6
200.04619	0.5
211.03979	0.8
217.00267	0.4
227.03464	2.9
228.04034	0.7
242.70926	0.4
255.02939	1.6
256.03754	29.3
257.04080	1.8
274.99228	0.5
283.02567	0.6
284.03247	100.0
285.03613	5.4
299.05594	66.2
299.18817	0.5
300.05923	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	299.0769
Annotation	glucosyl salicylate
Peak:m/z	Relative Intensity
53.52233	0.3
53.81788	0.3
58.00607	0.5
59.01381	13.2
68.70804	0.3
69.25860	0.5
69.26211	2.9
71.01383	9.5
72.99310	0.3
73.02934	0.9
74.68279	0.3
77.62141	0.3
83.01383	0.8
85.02960	2.4
87.00851	0.3
89.01876	0.3
89.02444	10.4
93.03458	61.8
94.03792	1.4
95.01395	0.8
98.19862	0.5
101.02444	4.9
108.02193	0.7
108.04011	0.3
111.62399	0.3
113.02454	3.1
119.03522	3.8
119.05013	4.5
123.03274	2.5
125.02464	0.4
131.03441	0.5
135.86008	0.3
137.02444	100.0
138.02779	3.1
138.05611	23.5
143.03471	0.5
152.01172	0.7
154.50774	0.3
161.04626	0.5
175.89607	0.3
179.05579	0.6
180.06691	0.5
299.07745	1.3
299.11307	1.0
300.10910	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0772
Annotation	Pseudolaroside A
Peak:m/z	Relative Intensity
55.29350	0.2
59.01383	0.8
70.63916	0.2
70.64240	0.4
71.01386	0.7
77.61754	0.2
81.03470	0.3
89.02449	0.6
93.03461	5.9
93.04023	0.4
94.03822	0.2
101.02481	0.3
108.02205	0.3
109.02979	0.3
119.03533	0.2
119.05060	0.4
136.01666	2.0
137.02451	100.0
138.02776	2.9
138.05618	0.7
299.07700	8.2
300.07996	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.056
Annotation	Koparin
Peak:m/z	Relative Intensity
57.03409	0.3
60.13589	0.3
62.77852	0.3
63.02387	2.3
64.48500	0.3
65.00307	1.0
83.01385	1.8
105.47945	0.3
106.93890	0.2
107.01384	3.4
123.00860	0.5
132.02176	0.5
133.02921	0.9
134.03769	1.6
138.05556	0.4
148.01633	0.6
149.02461	0.3
149.99574	0.5
151.00369	4.6
183.04456	0.7
187.03963	0.7
188.04762	0.7
199.03979	0.9
200.04755	1.2
211.03981	1.6
215.03618	0.3
227.03462	3.0
228.04121	0.8
239.03442	0.7
255.02971	2.3
256.03748	9.7
257.04163	0.4
267.02936	0.3
278.25836	0.3
283.02374	1.4
284.03244	100.0
285.03598	5.8
299.05588	78.8
300.02811	0.5
300.05939	5.3
300.11154	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0561
Annotation	5,7,2'-Trihydroxy-6'-methoxyflavone
Peak:m/z	Relative Intensity
59.01380	1.1
63.02397	0.5
65.00322	39.1
66.00655	0.6
68.99821	0.5
69.16850	2.1
84.42901	0.2
89.00329	10.1
89.03970	1.0
91.01892	7.1
92.99905	0.3
93.03466	0.9
94.00621	0.5
97.02946	26.8
98.03291	0.5
98.19905	0.3
106.00584	0.5
110.00103	0.4
121.02955	11.7
122.00105	0.2
122.03279	0.2
123.04492	0.2
130.05377	0.2
132.99332	0.5
133.02951	6.9
133.06273	0.2
137.02417	0.4
138.05632	0.6
139.03975	0.3
143.07167	0.3
145.03078	0.2
146.03853	0.3
147.04478	0.2
149.99577	12.2
151.00282	0.4
157.02963	0.7
163.00420	0.4
163.04048	0.3
165.01917	86.6
166.02248	2.5
167.05009	0.2
173.02460	0.5
174.03197	0.3
175.03984	0.6
177.41606	0.2
177.92195	0.2
178.02812	0.3
183.03024	0.6
183.04463	0.4
196.05257	0.5
198.03209	0.6
199.03993	1.7
200.04588	0.2
201.01958	2.3
211.03986	1.0
212.04784	5.9
213.05379	0.8
214.02724	3.2
215.03416	0.7
216.04242	0.5
217.00311	0.9
223.03990	0.4
227.03421	1.2
228.04280	0.6
229.05043	4.8
230.05299	0.3
231.06566	1.0
239.03510	1.6
240.04236	3.3
242.02263	1.0
243.06624	0.6
255.02937	1.7
255.06662	1.5
256.03763	3.4
257.04501	0.9
265.01413	0.3
271.06326	3.6
281.04413	0.3
283.02426	7.2
284.03214	8.7
285.03671	0.5
286.57574	0.2
299.05585	100.0
300.05939	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	299.0557
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02402	0.7
65.00321	38.1
66.00666	0.6
68.99819	0.6
69.48504	2.3
71.43418	0.3
82.28104	0.3
89.00327	12.5
89.03966	0.9
91.01889	7.6
92.02293	0.3
93.03455	1.0
94.00600	0.4
97.02942	26.2
98.03281	0.5
106.00602	0.4
107.01471	0.3
121.02949	12.0
122.03303	0.6
123.04464	0.4
133.02946	7.5
147.00842	0.4
149.02481	0.6
149.98357	0.6
149.99579	11.6
153.39137	0.3
157.02864	0.5
165.01915	89.2
166.02246	3.5
166.36182	0.3
173.02437	0.5
175.03986	0.7
183.03023	0.6
183.04510	0.4
188.04709	0.4
195.04572	0.3
196.05341	0.7
198.03163	0.8
199.04005	1.8
201.01895	3.0
211.03993	1.1
212.04752	6.4
213.05345	0.7
214.02711	3.7
215.03360	0.4
216.04185	0.6
223.03944	0.5
227.03474	1.0
228.04283	0.9
229.05026	4.7
230.05370	0.4
231.06654	0.8
236.98969	0.3
239.03577	1.7
240.04285	4.1
242.02196	0.9
243.06636	0.4
255.02975	1.5
255.06606	1.5
256.03702	3.2
257.04416	0.7
271.06091	4.3
272.06534	0.4
283.02466	6.9
284.03226	8.6
285.03665	0.4
299.05573	100.0
300.05905	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	297.2433
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
56.16132	0.5
59.01376	0.8
60.59785	0.5
65.54644	0.4
70.98177	1.1
72.48486	0.5
73.83453	0.4
137.09702	0.7
141.12845	1.3
144.64653	0.5
155.10777	12.3
171.10260	1.3
183.01190	2.1
253.47217	0.5
270.56479	0.4
273.90955	0.4
279.23264	13.1
280.23587	1.1
295.22659	1.0
297.15308	4.6
297.24329	100.0
298.24673	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	298.166
Annotation	Morifoline
Peak:m/z	Relative Intensity
56.73015	0.3
59.01369	1.1
65.00307	0.3
71.01377	1.1
71.50943	0.4
71.51332	0.4
73.96415	0.3
88.04041	100.0
89.04389	1.3
96.95968	0.4
97.02953	0.5
111.08237	0.5
160.36014	0.3
162.25394	0.3
165.01952	1.0
165.12814	1.1
192.17598	1.1
208.17017	0.4
236.16565	16.2
237.16849	1.2
253.19557	0.3
254.17606	5.3
280.15558	13.3
281.15720	0.4
284.03397	0.3
298.16614	27.2
299.05679	1.9
299.16660	0.9
299.19034	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74834	0.3
59.01377	1.2
65.00321	0.4
71.01366	1.1
71.50578	0.4
79.95787	0.3
80.37325	0.3
86.06119	0.4
88.04044	100.0
88.20307	0.3
89.02471	0.4
89.04381	1.2
121.02897	0.3
135.04543	0.5
141.75592	0.3
165.01950	1.2
165.12900	1.5
182.71799	0.3
192.17624	1.6
209.11800	0.6
236.16574	16.7
237.16919	1.3
254.17648	5.1
280.15567	12.0
280.18683	0.5
281.15875	1.0
298.16614	27.0
299.05566	2.1
299.09006	0.6
299.16580	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	299.0558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97862	0.3
59.01373	0.5
63.02386	0.6
65.00321	33.9
66.00629	0.4
68.99800	0.8
71.50986	0.4
87.26388	0.3
89.00327	10.0
89.03949	1.3
91.01893	7.0
93.03467	1.3
97.02942	25.6
98.03302	0.4
101.02457	0.3
106.00650	0.5
107.01389	0.5
110.00075	0.4
111.08202	0.3
121.02947	10.5
123.04542	0.6
133.02951	7.3
137.02422	0.4
138.05637	0.8
139.04030	0.4
145.02904	0.4
149.99583	11.8
151.00316	0.6
157.02988	0.5
165.01917	81.6
166.02242	2.6
169.37952	0.4
170.21306	0.4
175.03859	0.5
177.01782	0.3
182.46078	0.3
183.03021	0.4
183.04425	0.5
183.13776	0.6
196.05260	0.6
198.03238	0.8
199.03984	1.5
200.04800	0.5
200.23700	0.4
201.01921	2.0
211.04037	1.1
212.04764	5.9
213.05367	0.8
214.02673	2.9
215.03394	0.6
216.04247	0.6
222.27477	0.3
223.03951	0.4
227.03482	0.9
228.04251	0.7
229.05029	4.9
230.05370	0.3
231.06548	0.8
239.03423	1.5
240.04266	4.3
241.04961	0.3
242.02214	0.9
243.06638	0.4
255.02937	1.5
255.06657	1.5
256.03751	3.7
257.04535	1.0
266.02222	0.7
271.06088	5.3
272.06451	0.3
281.04565	0.4
283.02451	6.4
284.03183	7.7
285.03543	0.6
299.05576	100.0
299.18686	1.2
300.05905	6.4
317.91638	0.3
323.14774	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57705	0.3
56.86171	0.2
58.49513	0.2
66.87370	0.2
69.28014	0.3
69.99931	1.0
72.12289	0.2
79.95703	1.9
90.16016	0.3
110.48748	0.2
119.05015	0.9
121.49679	0.3
170.00414	1.3
183.01196	57.4
184.01913	5.4
197.02776	2.5
198.03424	0.5
201.99435	0.3
211.04160	0.2
216.00967	2.8
225.05812	0.6
230.02562	0.6
233.19028	0.3
239.07440	0.4
297.15274	100.0
298.15598	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	297.2434
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
59.01374	2.1
71.01375	0.6
71.49850	0.7
84.02586	0.5
89.02439	0.7
97.00510	0.5
115.18528	0.5
127.11310	0.7
141.12825	0.6
155.10765	2.7
171.10275	6.1
183.01207	8.2
192.96220	0.5
251.23651	0.6
279.23279	11.0
280.23538	0.7
295.22723	0.8
297.15311	14.2
297.24326	100.0
298.15573	0.9
298.24692	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	297.2433
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
56.22007	0.4
56.82828	0.4
59.01357	0.4
70.79836	1.0
77.48813	0.4
98.19997	0.5
101.02429	0.4
113.09734	1.4
129.71724	0.4
139.11255	0.4
145.29700	0.4
155.14423	0.6
183.01202	0.8
183.13884	4.7
199.13359	3.8
261.22073	0.4
279.23264	11.1
280.23755	1.2
295.22849	1.5
297.15463	2.0
297.24332	100.0
298.24710	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	297.0766
Annotation	R1128A
Peak:m/z	Relative Intensity
54.39081	0.3
59.01377	1.5
71.01391	1.3
71.49696	0.4
71.50084	0.5
75.00898	0.6
89.02415	0.6
89.03969	0.4
91.01862	0.4
91.05502	0.3
93.03437	0.9
95.29607	0.3
96.96027	0.8
101.02446	0.4
105.03453	0.7
108.02185	1.5
109.02946	27.3
113.02455	0.5
117.03479	1.6
119.05029	3.2
121.02945	7.7
123.04559	1.1
124.33429	0.4
129.03467	1.8
130.04305	0.5
131.05046	1.6
132.04549	0.9
133.01483	0.5
133.02960	4.8
134.03743	0.5
135.04523	47.2
136.04851	1.5
143.05017	1.4
145.02946	15.3
146.03773	2.4
147.04515	27.0
148.04854	1.0
149.02440	1.2
151.03966	1.4
157.02966	2.0
158.03688	2.2
159.04515	4.1
160.01608	1.7
160.05136	0.5
161.02441	12.3
161.06068	12.6
162.02939	0.8
162.06454	0.4
173.02396	1.8
173.83919	0.4
174.03192	8.8
175.03992	36.9
176.04358	1.2
183.04623	0.4
185.06128	1.0
187.04015	2.9
188.04669	0.6
195.04518	0.6
196.05118	0.4
197.05954	0.4
198.06810	0.4
199.07617	0.7
208.05231	0.6
209.06079	1.5
211.04071	0.5
211.07661	0.7
212.04822	0.5
213.05522	0.5
223.07503	0.6
225.05565	1.6
225.09160	0.4
226.06265	0.8
227.07127	1.3
231.77414	0.4
233.06100	0.4
234.06985	0.4
235.07629	0.5
236.04869	0.4
237.05548	3.8
238.06357	2.9
238.08455	0.5
239.03471	3.0
239.07033	0.4
240.04298	2.9
241.08736	0.8
242.05847	0.4
249.05496	0.4
250.06281	0.6
251.07147	2.9
252.04259	0.6
252.07903	2.1
253.05040	3.0
253.08687	3.9
254.05788	2.3
255.06596	32.8
256.06873	2.1
261.05624	0.6
262.06390	0.5
264.04346	0.9
267.06534	0.9
268.03763	0.7
268.07385	0.5
269.08231	1.5
279.06638	2.7
280.07263	1.3
281.04398	0.5
282.05280	1.0
295.06140	0.5
297.07645	100.0
298.04816	0.9
298.07983	7.0
318.36639	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0766
Annotation	Syzalterin
Peak:m/z	Relative Intensity
57.01919	0.3
58.76382	0.3
59.01390	2.0
60.03178	0.3
71.01382	0.8
71.50048	0.4
72.99329	0.4
75.00867	0.5
81.03480	0.4
83.05054	0.3
84.85221	0.4
85.02950	0.4
89.02474	0.8
90.60978	0.3
91.01899	0.4
93.03474	1.7
96.70168	0.4
96.96025	0.8
101.02454	0.7
104.07220	0.3
105.03484	0.5
106.32701	0.3
107.05030	0.4
108.02137	0.6
109.02956	25.6
110.03256	0.8
111.45416	0.4
116.21783	0.3
117.03471	1.6
119.05012	3.4
121.02956	7.2
123.04507	1.4
129.03441	2.0
130.04271	0.8
131.05043	1.2
132.02180	0.6
132.04565	1.2
133.02963	4.7
134.03770	0.8
134.52275	0.5
135.04532	46.7
136.04890	1.4
137.02469	0.6
143.05022	1.1
143.22054	0.3
145.02960	14.8
146.03764	2.4
147.04527	26.3
148.04903	0.9
149.02449	1.1
151.03998	1.2
152.07208	0.6
157.02948	1.8
157.82130	0.4
158.03780	2.5
159.04523	4.2
160.01674	1.5
161.02448	12.4
161.06090	12.6
162.03175	0.5
173.02492	1.7
174.03224	7.3
175.04005	33.3
176.04338	1.3
183.04404	0.4
185.06134	1.0
187.03978	3.8
188.04622	0.4
197.06039	0.9
199.07658	0.5
208.05251	0.7
209.06081	2.6
210.06573	0.4
211.04050	0.7
211.07684	0.4
212.04712	0.7
213.05537	0.6
223.07584	0.7
224.04718	0.5
225.05524	1.6
226.06332	0.8
227.07140	1.4
235.07661	0.6
235.63658	0.4
236.04944	0.5
236.08163	0.4
237.05568	3.7
238.06302	2.7
239.03430	2.3
240.04303	2.5
241.05006	0.4
241.08575	0.4
249.05560	0.4
251.07124	2.9
252.04134	0.5
252.07829	1.6
253.05107	3.2
253.08653	4.2
254.05820	2.2
254.08405	0.3
255.06616	31.3
256.06955	2.6
261.05582	0.5
264.04221	0.9
267.06512	1.0
268.07449	0.5
269.08221	1.4
279.06592	3.1
280.07315	1.0
282.05396	0.4
297.07666	100.0
298.04828	0.5
298.08017	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0472
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.2
59.96703	0.5
71.01375	1.9
73.02943	0.5
74.99080	3.1
79.95761	0.7
89.02448	2.3
89.04288	4.9
93.00141	1.6
101.02439	1.5
113.02441	1.2
113.09760	0.6
118.97003	0.5
119.03520	0.6
121.06602	5.6
135.04572	0.8
135.06645	0.8
139.90152	0.6
144.84019	0.4
149.00960	28.2
150.00902	1.5
155.14439	0.8
163.11322	5.8
179.05655	0.8
183.01204	21.5
183.13864	0.9
184.01849	1.6
197.02777	0.7
199.13396	3.7
206.99666	0.7
208.97569	0.8
216.00934	1.2
223.02808	3.1
225.51508	0.5
264.98441	13.0
265.98428	1.5
279.23291	6.0
281.01566	3.2
282.99548	0.9
295.22928	0.7
296.22916	0.6
297.04715	62.6
297.11966	1.6
297.15338	40.3
297.18668	4.8
297.24341	100.0
298.04721	6.8
298.15530	1.9
298.24765	1.9
299.02588	4.7
305.74783	0.6
315.05817	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0469
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45564	0.9
59.01378	6.9
69.91010	1.4
69.91403	3.3
71.01378	4.4
74.99062	5.3
89.02436	3.6
89.04281	6.9
93.00120	1.5
98.13209	0.9
101.02415	1.5
113.02453	1.6
135.04555	1.5
149.00949	43.4
150.01003	1.7
155.14386	1.0
183.01189	30.4
184.01949	2.3
197.02731	1.3
199.13393	3.0
199.28677	1.0
206.63747	1.0
206.99728	1.6
208.97499	1.6
223.02812	5.1
225.00752	1.4
233.18863	0.9
237.09883	1.2
264.98431	21.0
265.98489	2.0
277.19000	1.2
279.23248	6.5
281.01614	4.5
282.99548	2.6
295.22845	1.2
296.23050	1.1
297.04694	89.3
297.15268	69.3
297.24319	100.0
298.04807	8.5
298.15607	2.6
298.24774	1.6
299.02652	7.5
301.00528	1.7
307.69650	1.0
315.05551	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2278
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
57.03460	0.8
59.01369	1.5
66.91737	0.6
70.98986	1.5
99.46595	0.6
107.00340	0.6
125.09760	1.3
126.44152	0.6
133.01445	0.7
141.12878	1.2
166.18936	0.6
171.10269	35.8
172.10579	1.7
183.10226	1.1
185.90234	0.6
259.20364	0.9
274.53024	0.7
277.21722	44.8
278.22195	3.0
295.22781	100.0
296.23145	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	295.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45289	0.4
57.03449	1.0
59.01380	3.0
68.10240	0.3
71.01366	1.9
89.02457	0.9
97.06609	0.4
101.02446	0.6
115.00372	3.3
123.08196	0.6
123.77331	0.3
125.09717	0.6
133.01450	6.6
133.05058	0.7
134.01755	0.4
135.04504	1.2
141.12897	1.9
151.11269	1.1
153.09236	0.5
161.04527	0.4
167.14421	0.7
179.03551	0.7
179.14418	0.5
195.13872	2.3
251.23811	1.3
277.21646	3.2
295.10013	1.0
295.22784	100.0
296.23154	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	295.0456
Annotation	Phaseolic acid
Peak:m/z	Relative Intensity
58.27777	0.6
59.30929	0.6
70.83924	1.0
71.01385	9.4
72.99310	1.4
87.00834	0.8
88.86225	0.6
89.02447	1.5
96.97745	0.6
100.11679	0.6
105.80299	0.7
115.00368	29.2
133.01425	100.0
134.01775	1.5
135.03506	0.8
135.04530	10.7
179.03497	13.0
179.04994	1.1
252.78339	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1915
Annotation	5,6-Dihydrocineromycin B
Peak:m/z	Relative Intensity
59.01382	28.0
60.80350	2.3
61.98823	5.1
69.03455	6.4
69.77402	7.9
71.01382	28.1
72.99320	4.8
83.05046	2.7
85.02955	5.0
89.02441	5.2
89.90619	2.5
93.70425	2.3
96.95998	3.0
97.02950	41.5
98.19966	3.5
101.02436	6.9
109.06608	6.2
111.08145	9.0
113.02483	2.4
114.94662	2.3
115.00375	40.4
116.56441	2.4
119.03516	2.1
119.08703	3.5
123.08107	2.6
123.44453	2.2
125.09689	2.8
128.80936	2.0
133.01447	100.0
133.05070	3.9
135.04532	13.3
137.09747	16.4
151.11285	2.8
157.08745	32.9
161.04546	3.6
163.11345	4.5
165.09277	2.7
171.10332	13.1
179.03511	14.5
181.12379	3.9
185.11836	4.6
196.74089	2.1
197.11894	3.4
225.11356	4.1
233.19043	3.9
236.32922	2.3
259.17056	4.2
277.18124	32.7
295.10049	8.7
295.19144	83.7
295.22327	3.3
296.19562	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	295.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62549	0.3
51.80141	0.3
57.03439	1.0
59.01353	0.9
59.74876	0.3
65.10860	0.3
65.68716	0.3
66.39123	0.3
66.39532	0.3
69.90878	1.3
71.06811	0.3
97.06601	0.6
104.62118	0.3
114.28172	0.3
115.00333	0.5
125.09711	3.3
133.01431	1.9
141.12862	0.9
151.11255	1.5
155.14401	0.9
179.03426	0.4
200.21944	0.3
218.53235	0.3
240.54825	0.3
251.23845	1.8
295.22763	100.0
296.23145	7.7
308.66241	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2124
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
51.84254	0.7
55.84855	0.7
58.95900	0.7
62.45133	0.7
69.03431	0.7
69.90726	3.5
83.05021	0.8
83.88448	0.7
109.06637	1.0
110.00134	0.8
123.48405	0.7
125.09646	0.9
139.11295	2.9
153.12854	2.1
182.34575	0.7
191.18086	3.3
196.19565	0.8
198.12483	0.7
224.14185	1.1
247.20607	2.6
275.20148	1.0
293.21225	100.0
294.21533	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	293.2487
Annotation	Sterculic acid
Peak:m/z	Relative Intensity
59.01379	1.8
61.98825	1.1
62.26582	0.7
71.01379	1.6
71.39822	1.0
71.43135	0.6
79.95711	0.9
81.54333	0.7
85.02905	0.8
96.96009	46.1
136.08980	1.7
169.90294	0.7
177.09239	0.9
192.11560	1.8
193.15945	3.6
205.12245	0.9
220.14687	6.8
221.15453	11.2
236.10547	8.5
249.18642	1.0
293.17944	36.5
293.24847	100.0
294.18170	2.1
294.25159	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	295.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
62.01582	0.6
70.61974	1.7
71.01374	9.6
72.99308	2.1
82.62739	0.5
89.02428	1.3
115.00366	28.2
116.00694	0.9
133.01422	100.0
134.01744	1.3
135.04507	9.6
154.54330	0.7
179.03505	10.8
180.03801	0.6
208.07355	0.6
215.75111	0.7
219.80898	0.6
252.42615	0.6
258.83075	0.6
271.25125	0.6
305.58203	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0459
Annotation	Phaseolic acid
Peak:m/z	Relative Intensity
53.53259	0.6
62.98941	0.6
71.01386	9.2
71.44225	0.9
71.44565	1.1
72.99319	2.4
76.69336	0.6
84.44696	0.7
84.83523	0.6
89.02451	2.2
98.59860	0.7
115.00379	32.7
133.01437	100.0
134.01767	1.9
134.03728	0.7
135.04541	10.5
148.04062	0.6
148.24130	0.7
179.03502	11.2
220.79543	0.7
259.76663	0.7
309.82309	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.0
61.98815	1.9
65.78500	0.6
70.55471	1.4
71.01397	3.4
71.05036	0.7
76.29269	0.7
81.87325	0.5
83.05023	0.7
85.02970	0.6
89.02462	1.2
96.96020	1.2
115.92072	0.7
123.08171	1.4
133.02982	0.8
136.08942	3.7
139.11264	2.0
151.11273	2.6
153.12787	1.0
161.04613	0.6
169.12325	2.3
177.01950	0.8
177.09174	0.7
179.14330	0.6
192.11545	2.7
193.15985	7.4
197.11836	33.7
198.12126	1.5
205.12308	1.0
208.97597	0.6
220.14702	7.2
221.15451	11.8
222.15608	0.8
222.18610	2.1
231.21123	1.4
236.10538	9.9
249.18726	3.0
249.22246	1.1
250.21762	2.3
267.18301	0.6
275.20172	17.3
276.20370	1.4
277.03897	0.8
293.04208	0.9
293.07025	3.0
293.17645	6.3
293.21204	100.0
294.21417	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.0
59.01365	3.9
70.68948	2.2
71.05016	4.8
74.65675	1.3
81.37034	1.4
112.94940	1.1
121.10279	1.2
171.10265	4.1
185.11833	2.5
185.75836	1.2
193.16006	1.5
209.15442	2.0
221.15536	3.2
223.17102	6.4
231.21155	1.9
235.17041	41.0
236.10561	2.0
236.17291	2.8
275.20145	39.6
276.20535	4.0
293.08908	11.6
293.21237	100.0
294.08914	2.3
294.21631	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
52.64205	1.2
58.91848	1.2
59.01372	2.0
63.39010	1.3
65.90443	1.4
70.50385	3.6
72.40868	1.4
78.09315	1.2
88.78320	1.2
89.34921	1.3
117.16833	1.3
121.10242	41.3
132.08551	1.2
171.10275	74.0
172.10582	3.4
177.16620	1.5
179.31883	1.3
185.11884	4.0
231.21147	4.5
266.57626	1.5
275.20157	100.0
276.20483	13.2
293.21237	67.3
294.21573	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83717	0.5
57.03440	0.9
59.01380	1.3
65.41849	0.4
69.17841	1.2
69.18250	4.2
95.05018	0.4
96.96063	1.0
97.06606	1.1
121.10242	1.2
123.08177	1.0
125.09721	4.6
129.70839	0.5
141.12860	1.0
149.09712	2.2
168.97432	0.5
171.10297	1.0
183.13893	0.8
185.11839	9.6
186.12151	0.5
192.11542	0.8
193.15932	0.8
195.13841	1.0
197.11871	3.3
220.14684	1.9
221.15440	1.8
225.19112	0.5
236.10553	1.6
249.22220	1.4
275.20117	3.3
293.21231	100.0
294.21552	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	293.2125
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
50.99347	0.8
56.22794	0.9
57.03468	0.9
58.23460	0.8
59.01382	5.3
61.98840	1.3
66.49778	0.7
68.02544	4.9
71.01390	3.9
80.96151	0.8
83.05091	1.0
88.41542	0.6
89.02487	0.9
94.49636	0.6
96.96055	0.8
97.06615	0.8
98.20663	1.8
106.42816	0.8
108.02342	0.7
109.17142	0.7
121.03056	0.8
121.10243	41.9
122.10582	2.0
125.09772	1.7
133.02919	0.9
141.12927	0.7
161.04561	0.9
171.10280	80.3
172.10634	3.5
177.09247	0.9
177.16455	1.1
185.11876	3.4
192.11523	0.8
195.13919	1.0
205.12489	1.2
210.94853	0.7
213.83113	0.8
220.14680	8.4
221.15453	18.4
231.21194	5.5
236.10547	11.9
241.81519	0.7
245.19229	0.7
257.19220	0.8
269.16190	0.8
275.20163	100.0
276.20541	6.3
280.15106	0.8
285.77600	0.8
293.09024	1.0
293.17828	2.7
293.21213	59.9
294.21655	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	293.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56194	0.3
54.26808	0.3
70.22253	0.7
71.01387	7.8
79.51103	0.3
84.57256	0.3
127.07666	0.3
128.78053	0.3
147.15318	0.3
148.05350	1.2
151.07639	0.4
161.19690	0.3
164.08368	1.5
177.09218	6.1
192.11580	7.2
193.12270	0.6
205.12350	7.9
206.12628	0.3
207.13919	1.0
211.27097	0.3
217.08649	0.4
218.09474	2.3
220.14694	48.3
221.15466	100.0
222.15816	5.7
235.13397	1.0
236.10539	71.9
237.10916	4.9
293.17618	6.9
293.20969	0.4
294.18033	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
70.16473	0.7
79.95727	2.3
88.61505	0.3
95.95238	0.6
96.96003	100.0
136.08928	0.4
144.91927	0.3
192.11572	0.3
193.15936	0.8
219.13123	0.3
220.14735	1.6
221.15433	3.3
236.10506	2.6
293.17896	73.5
294.18179	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	293.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.6
58.90002	0.9
59.01381	6.4
63.28963	0.9
63.64497	0.8
68.80427	0.8
69.59959	3.0
69.60357	2.1
71.01382	2.6
72.83895	0.8
72.99301	9.6
78.05651	0.8
85.02950	43.1
85.54052	0.8
86.03271	0.9
93.03476	1.4
98.16905	0.8
99.90724	0.9
101.02440	26.0
103.04003	1.3
105.03471	2.7
105.20373	0.8
115.57120	1.0
117.03460	1.7
119.05030	53.3
120.05350	1.6
121.02966	1.4
124.51912	0.9
129.01944	100.0
130.02296	1.5
133.02959	11.6
134.03773	6.5
135.04535	1.7
136.01671	7.1
137.02438	2.9
144.93755	0.8
146.03697	1.0
147.03004	24.0
150.03168	2.0
151.03961	1.1
159.04492	2.9
162.03220	3.3
163.04010	72.2
164.04393	3.8
173.06056	1.1
175.00455	1.0
177.01939	3.5
179.35976	1.0
187.07610	6.4
202.06433	1.9
203.10771	2.5
205.08740	1.0
210.03098	0.9
213.09239	1.9
218.42039	0.9
219.10251	2.8
231.10275	9.9
233.08182	1.5
249.11375	1.4
265.05093	1.2
275.09225	10.1
293.04602	6.5
293.10254	2.8
308.37234	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1965
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
57.50673	0.9
62.36114	1.0
71.26592	1.5
73.02946	29.8
116.17137	0.9
129.60745	0.8
137.72722	1.0
188.78659	1.0
219.21136	3.5
263.20224	1.4
282.40738	0.8
291.19644	100.0
292.19965	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	291.1967
Annotation	12-OPDA
Peak:m/z	Relative Intensity
55.01876	1.1
57.03440	0.8
59.01386	3.1
63.98552	0.5
69.79433	1.6
69.79842	1.2
71.01386	0.7
71.05025	31.8
97.06592	10.1
98.20634	1.0
111.08114	0.8
114.80292	0.5
119.05003	0.6
121.10195	0.5
133.06621	0.9
137.09686	0.6
147.11818	0.6
162.10612	0.6
175.14899	1.0
181.12317	1.4
185.11775	0.8
190.10002	1.2
195.13937	0.8
207.13921	3.3
219.13902	4.7
219.17395	1.1
231.12270	1.7
235.16991	4.1
241.81490	0.5
247.16988	2.0
247.20625	3.5
273.18561	1.5
291.19659	100.0
292.19995	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	291.2329
Annotation	Grevillol
Peak:m/z	Relative Intensity
59.01353	0.9
61.98827	0.7
63.20059	0.5
70.09348	0.5
71.01383	0.8
74.99061	1.8
91.35804	0.7
118.86034	0.7
121.02949	1.3
149.00928	2.0
161.06369	0.8
192.98148	1.1
209.01251	2.6
209.04457	0.7
217.07184	1.7
247.24353	0.7
271.22034	0.6
289.07526	1.8
291.09091	68.5
291.23276	100.0
292.09241	9.3
292.23639	7.6
309.10095	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02971	0.8
59.01370	1.3
70.70459	1.3
71.01388	0.5
109.56054	0.4
111.08123	0.6
117.03439	0.4
121.10223	0.6
133.03021	0.5
156.13928	100.0
157.14270	4.0
171.10304	0.9
192.11539	0.5
196.14250	0.4
200.12894	5.5
220.14621	2.7
221.15454	5.8
236.10526	4.3
274.18915	0.7
275.20157	1.4
292.19958	8.0
293.04504	3.3
293.17590	1.5
293.21118	2.3
297.48434	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1917
Annotation	Nordihydrocapsaicin
Peak:m/z	Relative Intensity
58.02971	0.8
59.01370	1.3
70.70459	1.3
71.01388	0.5
109.56054	0.4
111.08123	0.6
117.03439	0.4
121.10223	0.6
133.03021	0.5
156.13928	100.0
157.14270	4.0
171.10304	0.9
192.11539	0.5
196.14250	0.4
200.12894	5.5
220.14621	2.7
221.15454	5.8
236.10526	4.3
274.18915	0.7
275.20157	1.4
292.19958	8.0
293.04504	3.3
293.17590	1.5
293.21118	2.3
297.48434	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60234	1.6
55.60355	1.6
57.03441	5.1
57.40786	1.4
59.01384	20.7
71.01378	3.4
71.30319	2.1
71.30662	1.6
72.99318	14.9
75.53065	1.7
80.96511	3.0
85.02958	28.9
97.06570	1.8
98.20573	1.6
101.02447	21.9
103.04028	7.1
105.03465	2.0
108.02156	1.7
109.02951	3.6
109.91045	1.5
119.05040	30.1
122.03733	3.3
123.04474	2.0
129.01953	100.0
130.02286	1.6
133.02974	10.2
134.03751	21.9
135.04543	4.4
136.01674	32.4
137.02481	8.5
138.87556	1.9
139.07637	3.3
145.02968	2.1
146.03726	2.4
147.03008	82.6
149.02383	2.4
151.03969	7.1
158.03722	3.5
158.82314	1.4
159.04498	5.3
163.04016	37.3
168.07843	1.4
173.06076	4.7
175.07607	2.0
177.01945	3.5
187.07681	19.5
187.11229	3.1
191.10753	3.4
202.06352	2.6
203.10789	7.2
205.08794	1.5
213.09222	1.9
219.10291	2.1
231.10260	25.4
233.08115	4.5
248.67696	1.5
249.11404	2.4
275.09235	32.9
293.04529	6.8
293.10342	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	291.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	0.4
70.97253	0.6
71.01396	0.3
80.02670	0.3
95.05041	0.4
97.06608	0.3
106.04257	0.3
109.06573	0.3
119.05022	0.5
121.02908	0.4
125.06046	0.5
148.08917	1.4
149.09663	0.4
150.10504	1.0
151.11269	0.6
163.10094	0.3
163.11261	1.6
165.12842	23.4
166.13177	1.0
175.11292	0.5
176.12048	0.8
177.12761	0.3
191.14296	0.8
217.15990	0.5
229.19670	0.4
245.19066	0.4
247.20667	11.8
248.20937	1.0
255.17534	0.3
271.91211	0.2
273.18582	6.6
274.18976	0.5
291.19644	100.0
292.19983	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	291.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.7
70.24971	3.3
83.47775	0.8
93.07069	1.3
97.06578	1.8
121.10227	16.0
123.23003	1.0
125.09709	6.9
141.12875	1.3
185.11818	15.8
197.11787	3.3
209.11847	2.3
211.13380	1.0
223.13327	2.4
236.64699	0.9
247.20752	1.0
273.18634	1.6
291.19647	100.0
292.19952	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	291.0875
Annotation	beta-Dihydroplumericin
Peak:m/z	Relative Intensity
59.01365	0.6
59.63237	0.7
61.98838	1.0
65.00333	2.7
68.99814	1.0
71.01392	0.8
71.29799	0.7
71.50123	1.4
73.54351	0.7
76.50665	0.7
79.95776	0.7
88.32172	0.7
91.01896	0.9
95.65602	0.7
97.30585	0.7
103.25539	0.7
104.02684	0.7
107.04996	0.7
107.78606	0.6
109.06596	10.1
121.02933	3.6
129.07176	0.7
131.08656	5.1
132.02184	1.5
133.06618	1.7
135.04500	0.7
136.01645	1.6
145.02974	1.3
146.46210	0.7
148.01637	2.3
149.02390	1.2
157.06621	1.1
159.04541	1.7
159.08151	30.6
160.01605	1.0
160.08536	1.0
161.02425	5.1
172.01637	1.3
175.07622	8.9
187.07639	11.6
188.04814	1.3
188.07979	0.7
201.05635	2.4
203.07132	67.1
204.07552	2.8
209.04514	1.2
215.07108	17.4
216.07741	2.2
221.08183	43.4
222.08533	1.9
231.06589	15.4
235.09833	0.9
247.09750	1.7
259.06094	100.0
260.06409	6.7
263.09229	2.7
291.08731	32.3
291.16833	0.8
291.19611	5.5
292.09195	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	291.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65878	0.3
57.03438	1.5
59.01384	2.2
61.98811	0.3
69.51089	2.1
71.01381	0.6
74.17751	0.3
83.05012	0.8
93.07090	0.8
95.05020	1.1
97.06603	1.1
98.19907	0.7
103.33196	0.3
111.08150	8.2
113.09704	0.4
116.71143	0.3
119.05040	0.4
121.02953	1.0
121.10239	6.3
123.08116	0.9
125.09712	3.0
135.11757	0.5
137.09695	0.8
139.11264	0.3
141.09270	0.3
141.12939	0.4
149.09712	0.5
165.12930	0.4
167.10762	1.5
171.10187	0.4
177.12868	1.9
179.10799	1.9
185.11836	7.6
193.15977	0.4
195.13913	5.6
197.11818	1.4
209.04489	0.6
209.11842	0.7
211.13405	1.0
223.13347	0.5
247.20682	2.6
273.18594	2.2
291.08984	1.7
291.19647	100.0
292.19989	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	289.0719
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
57.03444	5.2
59.01373	1.5
63.18293	0.9
68.15042	0.8
69.03460	1.1
69.17881	0.8
69.18108	4.4
69.18526	4.0
80.02701	1.1
81.03477	4.7
83.01379	5.2
93.03461	2.9
95.01379	1.6
95.05018	8.4
97.02951	12.5
101.33695	0.9
107.05043	1.3
108.02182	2.5
109.02953	50.7
110.03359	1.3
121.02960	5.2
122.03735	2.4
123.04527	29.4
125.01527	1.7
125.02445	27.1
133.02901	0.8
135.04539	5.6
137.02452	16.5
138.03215	2.6
139.04027	5.8
145.02965	2.0
146.03708	2.4
147.04437	1.3
149.02394	7.4
150.03206	2.2
151.04007	15.6
157.06436	0.9
159.04503	5.2
160.05299	3.1
161.02448	0.8
161.06097	9.2
162.03214	3.3
163.04004	2.4
164.01096	6.3
165.01918	7.4
166.02597	1.6
167.03452	3.4
173.06024	3.0
173.47876	0.8
174.03232	1.0
175.03984	3.4
175.07639	3.4
177.05524	1.1
179.03502	13.4
185.06078	1.3
187.04001	8.2
188.04808	5.3
189.05078	1.1
201.05542	1.9
202.06299	4.3
203.03473	0.9
203.07126	21.9
203.08913	1.8
204.07498	1.1
205.05054	14.6
212.04893	0.9
217.08627	1.0
221.08151	6.8
227.07114	3.5
231.03073	1.3
245.08170	34.4
246.08514	2.5
247.06190	1.7
271.06027	2.0
289.07172	100.0
290.07578	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	289.108
Annotation	Wentilactone B
Peak:m/z	Relative Intensity
57.04956	0.7
59.01374	1.2
61.59685	0.8
61.98814	1.3
71.19770	0.8
71.20099	1.5
72.59010	0.7
113.95932	0.7
125.02450	0.8
135.04497	1.8
146.03709	4.0
147.04494	1.2
159.04523	5.1
161.02429	1.1
172.05283	2.5
173.06104	1.9
175.03995	1.6
183.04486	2.7
184.05222	2.9
185.06036	1.7
185.09650	0.9
187.03975	2.4
187.07620	2.7
193.06589	0.8
196.05312	1.3
197.06070	32.0
198.06799	7.5
201.05545	4.4
201.09195	3.3
202.55884	0.8
205.01382	3.5
211.07623	6.3
212.08391	1.2
213.09198	100.0
214.06578	0.9
214.09520	6.9
215.05225	0.8
215.07129	2.7
215.10725	5.0
220.03699	1.3
220.63257	0.8
229.08583	1.9
230.09393	1.2
245.04337	1.1
245.11809	21.8
289.07455	1.0
289.10788	14.0
289.14178	1.1
289.17838	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	289.0718
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
57.03450	5.1
58.81107	0.8
64.07831	0.6
69.03430	0.9
69.66541	2.9
70.32430	0.7
71.61636	0.6
80.02654	1.0
81.03452	5.8
83.01387	5.8
93.03457	2.9
95.01360	1.5
95.05038	7.9
96.02150	0.7
97.02946	13.3
98.20665	0.9
103.15685	0.6
105.03489	1.2
108.02174	2.1
109.02953	50.9
110.03273	0.9
121.02959	5.8
122.03761	4.2
123.04520	34.5
124.04868	1.0
124.37966	0.7
125.02449	31.1
126.02827	1.0
126.64021	0.7
135.04538	3.8
137.02438	16.8
138.03192	1.8
139.04028	7.5
143.05093	0.9
145.02919	2.2
146.03729	2.4
147.04520	0.7
149.02455	7.8
150.03192	2.6
151.04005	17.3
157.06563	1.4
159.04504	5.8
160.05290	2.9
161.02435	1.6
161.06064	9.6
162.03239	2.9
163.04008	1.9
164.01176	6.9
165.01926	7.2
166.02632	1.1
167.03555	3.2
173.06082	1.9
174.03061	0.8
175.04028	3.1
175.07605	3.6
177.05513	1.3
179.03502	11.4
184.05147	0.9
185.06020	2.0
187.03998	8.8
188.04790	6.6
199.07584	1.1
201.05568	1.3
202.06308	3.1
203.03627	0.9
203.07132	20.9
205.05029	14.3
206.05316	0.8
212.04797	1.1
217.08655	0.9
221.08182	6.9
227.07162	3.6
230.05797	1.2
231.02849	1.4
245.08179	35.5
246.08557	2.0
247.06036	1.2
249.31984	0.8
271.06140	1.9
289.07175	100.0
290.07471	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1606
Annotation	Mesembrine
Peak:m/z	Relative Intensity
52.84780	0.3
56.86425	0.3
59.01371	1.1
61.98825	0.8
71.50236	0.6
81.03460	1.1
83.06419	0.3
85.36669	0.3
86.52566	0.3
86.60010	0.3
86.78342	0.3
92.05050	0.8
93.03458	1.7
99.92587	0.8
108.02184	0.6
108.04559	4.1
109.02947	5.1
115.92107	0.3
121.02962	0.4
124.01694	0.7
133.40088	0.3
134.02484	41.0
135.03294	10.0
136.04047	39.8
137.02449	1.7
137.04401	1.2
148.04088	0.8
149.04797	0.9
155.48128	0.3
173.23233	0.3
176.03557	4.9
176.07016	0.3
177.04131	0.3
190.05055	0.6
194.28769	0.3
204.06647	0.4
242.97781	0.3
256.59885	0.3
288.16052	100.0
289.16333	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2229
Annotation	10,16-Dihydroxy-hexadecanoate
Peak:m/z	Relative Intensity
50.03614	0.2
53.61892	0.2
57.03433	0.3
59.01377	0.9
70.46960	0.6
71.01376	0.3
78.95927	0.9
80.96342	0.2
83.05025	0.3
90.80693	0.2
97.06586	0.4
99.08154	2.0
105.13380	0.2
107.62617	0.2
109.06562	0.3
113.09735	0.4
125.02415	0.2
129.09181	1.1
141.12843	2.1
155.14409	0.6
211.20718	0.2
225.18190	0.2
239.20143	0.4
241.21756	1.1
268.31982	0.2
269.21210	3.2
285.20697	1.8
287.22256	100.0
288.22601	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	288.0767
Annotation	Bouchardatine
Peak:m/z	Relative Intensity
59.01381	9.2
71.48859	0.6
74.02503	0.5
82.06621	0.5
82.61578	0.5
90.97165	1.3
108.36426	0.5
130.08748	100.0
131.09077	2.0
132.98245	1.1
136.85130	0.5
141.98236	1.1
153.43288	0.4
160.97701	1.2
170.00061	0.6
171.98044	0.5
174.99245	0.6
184.97675	0.7
191.00388	0.6
202.98807	0.7
227.97676	0.5
234.99268	1.2
244.04990	2.1
244.12741	0.5
246.06584	2.4
253.52481	0.5
288.07666	55.8
289.00336	0.9
289.07993	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	287.0561
Annotation	2,6,3',4'-Tetrahydroxy-2-benzylcoumaranone
Peak:m/z	Relative Intensity
54.67818	2.3
54.91927	2.0
56.35827	1.9
57.03439	6.6
59.01371	4.2
61.14252	2.3
63.04078	2.2
67.01887	3.2
71.01382	15.0
77.03957	3.1
83.01387	19.9
93.03439	7.7
97.02975	2.9
107.05019	5.0
108.02179	7.3
109.02959	44.0
109.37413	2.1
111.00863	2.6
112.19421	2.5
115.00372	3.2
116.23981	2.1
119.05011	4.3
121.02955	34.6
123.00875	2.3
124.01641	15.4
125.02446	67.7
131.05016	4.7
133.02960	3.4
134.03690	2.3
135.04541	18.2
137.02438	89.1
145.03008	2.1
145.06596	5.0
146.03676	2.8
147.04517	14.0
148.05284	6.8
149.02443	33.2
149.03601	2.9
149.06030	8.6
150.01488	2.5
150.03227	20.1
151.00352	2.5
151.04019	13.2
156.41766	2.6
157.02919	2.1
157.06528	2.5
158.03725	5.9
159.04514	30.3
161.02422	18.3
161.06032	3.7
162.03154	2.6
163.03986	5.8
164.01128	9.7
165.01920	31.9
169.06581	4.4
171.04497	4.4
172.05276	14.5
173.02457	3.0
173.06061	28.6
174.03201	10.9
175.03983	60.5
176.04546	4.2
177.01884	7.7
177.05493	12.4
179.03543	3.9
181.06514	3.0
182.03743	2.9
183.04462	8.5
185.79233	2.2
186.03252	2.9
187.04134	3.9
187.07608	3.9
189.05560	14.8
191.07149	8.4
197.06107	6.3
199.03986	7.7
200.04707	7.8
201.01862	4.1
201.05562	55.2
202.05894	2.8
203.03532	16.3
204.03957	2.8
213.05530	5.5
215.03572	2.6
215.07095	17.3
217.05025	25.0
219.06618	26.1
225.05560	14.8
227.03458	4.5
228.04320	2.6
241.05008	9.5
243.02872	6.5
243.06633	27.9
245.04498	11.4
255.10410	2.5
258.05383	12.2
259.06085	75.7
260.06485	6.8
269.04684	12.8
287.05597	100.0
287.14526	3.6
288.05978	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	285.2071
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
59.01376	3.7
71.49903	1.9
78.95911	2.7
79.26297	1.3
90.32760	1.3
96.96019	1.6
112.89757	1.3
123.04546	3.3
151.49573	1.3
223.20650	58.9
224.20998	3.3
231.13809	1.4
241.21771	2.1
267.19635	41.9
277.34924	1.4
285.03882	7.7
285.20703	100.0
285.27176	5.2
286.20975	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	285.2073
Annotation	Hexadecanedioate
Peak:m/z	Relative Intensity
51.11242	0.6
53.37147	0.6
57.03450	0.7
57.22773	0.6
57.24991	0.5
59.01383	100.0
61.98847	0.6
65.65180	0.6
69.03480	1.3
70.46492	1.4
70.46883	1.5
72.95463	0.6
74.75096	0.5
75.87336	0.6
78.95906	1.4
97.06575	0.8
108.02235	0.9
110.48421	0.6
111.08176	0.8
113.09747	3.7
123.04519	1.6
127.11285	1.2
139.03960	1.0
173.08250	0.6
195.13890	0.7
203.08447	0.6
207.17587	1.3
240.23283	0.9
267.19623	2.1
285.04031	5.1
285.07242	1.2
285.20728	54.9
285.27176	2.1
286.21033	3.2
286.23865	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	286.2387
Annotation	Prosopinine
Peak:m/z	Relative Intensity
54.19328	0.3
59.01377	0.5
61.98811	0.4
66.29678	0.3
69.20996	0.4
69.21400	2.2
70.02983	0.8
74.06107	2.0
98.20728	0.5
107.26331	0.3
118.05080	0.7
135.36745	0.3
240.23335	3.0
242.21239	1.4
268.22736	0.9
271.04410	0.4
286.23853	100.0
287.24213	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	285.0614
Annotation	2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid
Peak:m/z	Relative Intensity
57.67705	0.4
57.84190	0.4
66.70557	0.3
70.68723	1.0
72.75743	0.4
76.50904	0.4
81.03468	0.9
108.02169	100.0
109.02974	18.1
110.03310	0.4
121.02957	0.7
122.03748	1.9
123.04532	1.1
125.02472	0.4
133.02968	0.9
135.00989	0.4
144.16307	0.4
151.03983	1.7
152.01143	62.3
153.01929	30.6
153.03755	0.5
154.02234	0.8
163.04019	1.1
165.01889	0.7
192.67337	0.4
211.94621	0.4
285.06137	61.8
286.06525	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	285.0614
Annotation	2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid
Peak:m/z	Relative Intensity
51.82946	0.4
60.18484	0.6
70.53482	0.8
82.35460	0.5
93.03438	0.7
108.02167	100.0
109.02978	16.7
121.02946	0.8
133.02992	0.8
135.00899	0.6
151.03990	1.3
152.01141	64.1
153.01930	33.3
154.02264	1.5
159.43605	0.5
163.04024	1.0
165.01898	1.5
175.22943	0.6
195.02846	0.7
285.06137	65.8
286.06387	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	285.0615
Annotation	2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid
Peak:m/z	Relative Intensity
51.31881	0.3
70.08058	0.6
70.08443	0.6
98.19968	0.3
108.02186	2.9
109.02950	66.0
110.03278	1.6
119.03751	0.3
123.04537	0.5
135.91083	0.3
146.30365	0.3
152.01161	1.0
153.01933	100.0
154.02271	3.4
217.99117	0.3
285.06180	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	285.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71127	0.2
63.02395	1.0
65.00325	3.1
69.42393	1.0
77.03959	0.2
79.01335	0.2
83.01382	1.7
93.03454	0.2
105.03449	0.9
107.01394	5.2
115.05515	0.2
119.20895	0.2
121.02929	1.2
123.04493	0.2
132.02165	0.7
133.02959	29.3
134.03249	1.0
135.04507	0.3
143.05057	0.4
147.04491	0.3
149.02444	3.8
149.06155	0.2
151.00377	9.8
152.00793	0.2
155.05038	0.2
169.06618	0.2
171.04500	0.7
174.03214	0.3
175.04008	5.7
176.04414	0.2
177.02058	0.2
185.06081	0.5
189.05559	0.5
197.06227	0.4
198.03218	0.7
199.04007	4.0
200.04387	0.2
201.01933	1.8
211.03889	0.4
213.05522	0.7
214.02611	0.2
215.03458	0.7
217.05072	2.6
223.04066	0.5
226.02788	0.4
229.05042	0.5
239.03355	0.4
240.04324	0.3
241.05014	1.5
242.02199	0.3
243.02957	1.2
257.04593	0.8
257.08173	0.2
267.02975	0.5
285.04044	100.0
286.04391	7.0
289.55118	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69713	0.3
59.01381	0.7
63.02394	1.6
65.00314	0.9
65.03967	0.4
68.99817	0.3
69.16373	1.1
69.16798	1.8
71.01377	1.1
72.99319	0.3
79.01900	0.4
83.01387	0.9
90.48398	0.3
91.01897	2.0
93.03460	5.6
95.01377	0.5
107.00729	0.3
107.01399	4.5
108.02212	0.7
109.02946	2.8
117.03477	2.3
119.01373	0.8
121.02923	0.4
123.00848	0.3
123.04553	0.5
130.04237	0.4
131.05031	1.1
132.02229	0.5
133.02982	1.9
133.06578	0.3
135.00882	3.1
135.04585	0.3
137.02458	1.0
141.07117	0.4
143.05029	3.8
145.02959	1.1
145.06656	0.5
146.56743	0.3
149.06039	0.3
150.01387	0.3
151.00348	1.6
153.01955	0.7
154.04250	0.9
155.05025	1.0
156.05869	1.5
157.06596	2.6
158.03737	0.8
159.04495	4.5
160.04787	0.4
161.02428	0.4
163.00371	3.9
165.01947	0.8
167.05057	2.0
169.02896	0.3
169.06595	1.5
171.04492	1.9
173.02487	0.7
173.06036	0.7
182.03677	0.7
183.04573	1.8
184.05180	1.1
185.02515	0.4
185.06076	6.5
186.03081	0.4
187.04005	8.5
188.04330	0.6
189.05580	1.9
195.04547	1.3
196.05241	0.8
197.06061	1.9
198.03174	1.0
199.03998	2.1
200.75278	0.3
201.05573	1.7
211.04004	3.8
212.04601	1.0
213.05530	3.9
214.02701	0.8
214.05905	0.3
215.03426	0.7
218.25154	0.3
223.04025	0.4
227.03502	6.5
228.03871	4.3
229.05048	23.3
230.05373	1.2
239.03461	2.4
240.04286	1.4
241.05060	3.3
243.02933	1.1
255.02921	2.2
256.03360	9.1
257.04565	10.5
258.04886	0.5
267.02960	1.6
284.26654	0.5
285.03995	100.0
286.04312	6.7
286.22717	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1184
Annotation	Clonostachydiol
Peak:m/z	Relative Intensity
52.09939	0.2
57.03442	0.3
58.46716	0.2
59.01379	1.7
67.01862	0.3
71.01392	0.7
74.41857	0.2
83.10358	0.2
85.02947	0.3
89.02414	0.4
89.20615	0.3
91.73853	0.2
93.03481	0.5
93.07100	4.2
95.05016	2.1
98.20718	0.8
99.04500	1.1
100.10096	0.2
101.02439	0.5
104.90945	0.2
108.02165	0.5
109.01764	0.5
109.02947	2.5
110.02484	0.5
119.03486	0.4
121.02950	9.8
122.03827	0.4
125.31670	0.3
135.04544	1.4
136.05283	0.9
137.06078	100.0
138.06395	2.3
161.02420	1.0
163.03993	9.8
180.04214	0.3
181.05052	6.6
225.06813	0.3
230.22433	0.3
239.07080	0.3
239.12981	1.2
241.19901	0.2
265.10815	1.6
283.06186	2.6
283.11853	52.1
283.26382	12.2
284.12225	2.9
284.26559	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1702
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
62.49438	0.5
71.26425	0.7
107.05025	100.0
108.05360	2.7
123.04514	0.5
127.67756	0.4
146.62299	0.4
156.16495	0.5
163.11278	96.9
164.11610	3.5
244.08203	0.4
283.17014	82.6
283.22842	3.3
283.26321	22.1
284.17340	6.4
284.26743	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	283.0612
Annotation	GENISTEIN, 8-METHYL
Peak:m/z	Relative Intensity
59.01357	1.1
70.51707	1.5
80.46701	0.5
81.20866	0.5
90.92890	0.5
107.01357	0.6
132.02168	5.8
134.94095	0.5
135.00839	2.1
151.00345	0.9
154.04185	0.6
184.05234	0.9
190.02634	0.6
195.04436	2.4
196.05280	2.3
211.04025	7.0
212.04698	3.4
223.03967	4.4
224.04742	4.0
226.02745	3.1
239.03490	19.4
240.04263	6.5
267.02979	18.9
268.03751	100.0
269.04117	6.4
283.06113	89.7
283.23349	0.9
283.26431	16.1
284.06464	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	283.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27130	7.3
54.92918	7.0
59.01375	100.0
64.64805	6.8
70.68047	6.7
70.96167	6.9
71.01376	55.0
71.49566	8.4
73.02956	8.2
75.00890	34.2
77.82861	5.8
83.01311	7.0
85.02940	20.3
89.02448	52.9
101.02434	41.4
103.00368	39.5
104.85671	6.9
113.02448	18.6
119.03485	27.3
121.05053	25.6
161.04544	17.1
208.00661	7.5
262.55179	7.0
283.10306	51.1
283.26346	9.1
303.53491	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	283.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85707	0.6
59.01376	5.8
60.44399	0.5
66.42541	0.4
68.99847	0.5
69.03429	0.5
69.70990	3.2
70.97039	0.5
71.01379	20.7
72.99293	0.6
73.02947	5.4
85.02993	0.7
87.00871	4.2
87.55693	0.5
89.02441	4.1
93.03451	1.3
95.01383	1.0
96.95997	1.3
98.20673	0.6
100.67588	0.5
101.02432	2.1
102.98562	1.0
105.03484	0.9
106.04188	0.6
109.02950	34.4
111.00894	3.2
113.02518	0.6
113.57263	0.5
117.03465	1.1
119.05003	0.9
121.02952	5.6
123.00897	0.7
123.04543	3.8
133.02939	7.0
134.03749	7.4
135.04529	37.4
136.04865	0.9
137.02437	6.6
139.03999	2.2
141.01933	1.1
141.34241	0.5
145.02942	0.8
147.04488	2.5
149.02429	9.5
149.06084	1.7
150.03224	9.9
151.04015	6.4
155.03523	0.8
159.04536	1.9
161.02448	17.0
161.06123	1.5
162.03157	1.1
163.03993	9.5
167.03406	0.6
173.02371	0.7
174.03279	0.7
175.03995	1.3
177.05568	3.8
178.02727	1.7
179.03500	5.7
187.03995	6.4
189.05548	3.4
191.03496	4.8
192.04108	0.9
193.05045	100.0
194.05405	3.7
195.06615	35.0
196.06960	1.3
203.03531	2.9
205.05046	12.5
206.05424	0.6
207.06610	3.7
221.04533	2.8
223.06119	6.9
233.04552	3.4
235.06073	1.1
251.05586	9.7
283.08136	3.1
283.26413	26.3
284.26953	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.3
57.03441	3.9
58.00586	3.7
59.01376	100.0
68.19529	0.8
71.01378	93.6
71.05036	2.3
71.48975	1.6
72.01730	1.1
72.99316	4.8
73.02943	20.5
75.00863	1.3
83.01382	10.7
83.82690	0.7
85.02946	29.9
86.03249	0.8
87.00860	3.5
87.04514	3.0
89.02438	56.7
95.01380	7.7
97.02959	1.9
97.95699	0.8
99.00877	8.9
101.02438	67.8
101.06053	1.2
110.02450	1.0
113.02443	37.1
114.02733	1.2
119.03495	23.2
119.07113	12.6
119.77340	0.8
120.07380	0.7
125.02434	1.8
129.01944	1.3
131.03482	2.2
143.03494	5.9
149.04501	1.6
150.04201	2.4
159.02994	7.3
161.04541	42.4
162.04797	1.5
179.05580	5.0
243.06145	1.7
281.12390	47.5
282.12589	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	282.0843
Annotation	Guanosine
Peak:m/z	Relative Intensity
52.01496	0.2
56.77340	0.2
57.58632	0.3
59.01372	1.8
65.99841	0.2
66.00967	0.7
71.01389	1.1
71.48867	0.3
72.01722	0.3
82.04096	0.9
85.02922	0.4
89.02449	1.0
101.00937	0.4
101.02442	1.0
101.03600	0.2
102.02772	0.5
107.03632	4.0
108.02032	11.0
113.02463	0.5
117.00435	0.5
119.03530	0.2
121.05075	0.4
126.03094	3.3
133.01553	31.5
134.01891	0.8
150.04199	100.0
151.04640	1.9
154.93785	0.2
156.23746	0.3
161.04579	0.4
164.05768	0.4
282.08405	26.6
283.01514	0.4
283.08615	0.8
283.26434	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26791	1.6
55.01864	4.2
57.03439	5.2
58.00578	2.8
59.01379	100.0
60.37911	1.6
61.98819	5.1
71.01380	90.7
71.49651	2.5
72.99280	5.3
73.02940	23.1
73.08475	1.4
75.00863	2.0
79.95744	1.6
83.01373	12.1
85.02947	36.4
87.00867	6.0
87.04492	5.3
88.57961	1.4
89.02444	53.9
93.03449	4.8
94.73985	1.4
95.01382	8.2
96.95981	3.9
97.02927	2.5
97.87254	1.4
99.00872	7.5
101.02441	75.0
107.03636	2.0
108.02054	7.0
111.00890	3.1
113.02447	47.4
119.03497	21.7
119.04896	3.0
119.07128	8.4
119.07812	1.3
123.00885	1.5
125.02375	1.6
126.03052	3.6
129.01918	1.5
131.03516	2.3
133.01555	19.2
135.04538	4.8
137.02434	4.8
143.03474	5.0
149.04512	1.5
150.04211	70.7
159.02960	5.4
161.04562	34.4
163.03983	2.2
175.03920	2.0
179.05547	5.9
205.03392	2.3
219.91736	1.5
228.27386	1.5
281.00772	3.3
281.06781	3.7
281.12448	28.2
281.24759	5.5
282.08475	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	279.2326
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
50.52038	0.3
52.41437	0.3
59.01375	0.6
70.97546	0.8
71.01398	0.6
73.02944	0.3
96.95996	3.5
101.02454	0.4
138.97136	0.3
147.08554	0.4
167.00104	0.9
191.03755	0.4
193.05316	0.8
234.10472	0.5
235.10019	8.8
236.10176	0.9
261.22214	0.4
279.16565	12.1
279.23264	100.0
280.16736	0.8
280.23584	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	279.2327
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
53.17263	0.5
59.01381	0.7
65.89977	0.5
71.41501	1.0
82.76591	0.6
96.70699	0.5
149.37596	0.5
161.48712	0.5
269.71503	0.5
279.23270	100.0
280.23615	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	281.03
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.9
59.01378	41.4
61.98821	6.4
67.37966	1.3
71.01379	49.3
72.99298	3.0
73.02948	7.5
80.96499	3.2
83.01384	4.7
85.02940	12.9
85.26637	1.7
87.00889	2.7
89.02442	15.0
92.55968	1.4
93.03456	29.7
95.01381	3.5
96.95991	7.7
99.00874	3.7
101.02438	21.3
101.89622	1.6
107.70661	1.3
112.91005	1.4
113.02438	14.4
113.38711	1.3
115.00354	25.2
119.03479	7.6
119.05013	4.2
119.07150	2.7
121.02948	30.7
133.01428	52.2
135.04507	3.7
137.02419	4.7
139.04004	100.0
140.04323	2.6
149.06084	3.8
150.04214	2.0
151.03998	2.6
161.04527	11.3
163.03975	3.9
165.01915	71.9
165.05556	1.8
166.02245	2.3
175.03966	3.6
183.03036	1.9
191.03435	4.6
219.03090	2.0
281.03922	1.6
281.06854	6.1
281.12579	8.0
281.24905	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	279.1964
Annotation	Chabrolol C
Peak:m/z	Relative Intensity
52.26480	1.1
53.89372	0.8
57.03438	1.4
59.01376	6.5
64.73350	0.8
69.77955	3.8
71.01376	1.7
73.02914	1.0
79.68037	0.8
85.02946	1.0
97.06624	0.9
99.74955	0.9
101.02496	1.2
107.08662	40.1
108.09039	1.2
109.02956	0.9
121.02957	1.2
125.09743	1.9
127.11225	1.0
153.09142	0.9
163.14943	1.6
171.10258	86.5
172.10620	3.7
181.86163	0.8
185.11807	3.3
189.93144	1.1
193.87238	0.8
197.11813	1.9
217.19565	7.3
222.02104	1.0
235.17032	2.9
243.17654	0.9
261.18573	100.0
262.18918	5.1
279.19666	51.4
279.23096	5.6
280.20032	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	279.1965
Annotation	Chabrolol B
Peak:m/z	Relative Intensity
54.37103	1.3
58.77436	1.3
59.01367	4.8
60.30584	1.5
61.62178	1.2
71.49132	2.4
83.05041	1.8
86.77131	1.3
89.76217	1.4
111.08150	5.0
113.09742	2.7
121.10236	58.6
122.10556	2.1
127.11269	1.7
157.08698	100.0
158.09106	1.6
163.14984	3.2
171.10268	5.9
183.10233	2.0
183.23346	1.6
217.19576	5.3
261.18576	94.3
262.18924	5.1
279.19662	65.2
279.22885	5.6
280.20132	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	279.1714
Annotation	(+)-Sophoranol N-oxide
Peak:m/z	Relative Intensity
51.41590	0.4
55.86571	0.5
58.02974	6.7
59.01378	5.9
62.88025	0.5
65.03963	1.8
65.39339	0.5
67.01887	1.2
69.57928	2.6
71.01375	4.3
80.56727	0.5
85.02950	1.1
89.02437	4.2
91.05529	1.4
93.03458	1.9
95.01353	0.6
95.04991	1.1
99.04521	1.7
101.02429	2.2
109.02946	39.4
110.03308	0.7
111.00805	0.5
112.07692	1.8
113.02457	1.8
119.03512	1.9
119.05019	1.5
121.02951	81.6
122.03295	1.9
135.04514	7.4
137.06079	1.9
145.02902	0.5
157.13464	2.6
160.02634	1.0
161.04550	0.7
163.04001	40.9
164.04297	1.2
248.72801	0.4
261.15976	0.8
279.17117	100.0
279.23212	3.0
280.17477	5.9
295.85861	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.217
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01369	0.9
69.78459	0.8
69.78877	0.4
71.01391	0.4
73.76508	0.2
75.73016	0.2
96.54562	0.2
115.49202	0.2
127.07655	0.3
129.84868	0.2
203.57545	0.2
217.18799	0.2
233.22742	0.5
259.20670	0.6
275.20163	0.3
277.21701	100.0
278.22055	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	277.217
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.0
71.01366	1.1
71.63219	0.3
85.62375	0.3
86.25231	0.3
101.68829	0.3
109.02977	0.4
118.61049	0.3
127.70334	0.3
164.66846	0.3
185.84218	0.3
205.15919	0.4
233.22772	0.6
259.20612	0.5
272.04028	0.3
275.20096	0.4
277.21695	100.0
278.22055	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	279.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
69.81459	2.7
69.81870	2.0
71.01382	20.2
93.03436	1.1
115.00378	13.9
119.05025	66.7
120.05341	1.7
120.46156	0.7
133.01424	13.3
163.04007	100.0
164.04353	3.5
205.08849	0.7
228.80486	0.9
284.09210	0.9
301.06537	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
69.49585	8.8
71.01380	15.0
72.99311	2.1
75.46722	1.4
89.02429	2.4
95.52743	1.1
98.20632	2.0
113.25266	1.4
115.00368	38.8
119.05021	34.7
133.01425	100.0
134.01837	1.3
146.65762	1.4
163.02762	2.8
163.04010	32.1
164.04311	1.4
186.75832	1.3
217.26736	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63086	0.2
59.01382	2.6
64.19807	0.2
65.91399	0.2
69.14888	0.7
69.15303	1.4
71.01376	0.5
87.50571	0.2
127.07643	0.4
134.03653	0.2
139.30272	0.2
177.73558	0.2
194.39526	0.2
194.91394	0.2
205.15947	0.5
233.22688	0.6
259.20609	0.7
275.20166	0.4
277.21698	100.0
278.18973	0.3
278.22040	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	277.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35263	0.4
53.35258	0.4
59.01394	0.8
62.54391	0.4
70.80793	0.7
70.81142	0.9
87.05779	0.4
124.95813	0.5
233.22729	0.5
239.83365	0.4
277.21722	100.0
278.22043	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	275.2015
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
50.98196	2.6
57.55473	2.6
59.61096	2.4
69.91092	8.8
91.77868	2.7
98.19891	4.2
129.68318	2.9
143.40257	2.9
155.38028	2.6
231.21176	100.0
231.23482	5.6
232.21550	8.9
275.17017	5.0
275.20129	35.0
293.31680	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	275.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	4.1
70.72690	1.4
71.01360	0.6
139.84261	0.6
176.82506	0.6
177.16472	1.5
231.21130	7.4
232.21585	0.9
257.19186	0.8
275.20160	100.0
276.20511	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	275.2016
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
53.09925	0.6
59.01379	4.3
65.72875	0.7
70.91249	1.4
81.50179	0.6
92.57825	0.7
121.00848	0.7
133.68080	0.6
158.89842	0.7
177.16422	1.5
231.21179	7.9
234.35106	0.7
257.19058	0.8
275.20154	100.0
276.20441	7.2
283.02982	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.9182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01406	0.3
63.79756	0.3
71.48595	0.6
75.30843	0.3
75.91663	0.4
78.95905	8.9
79.95756	0.4
95.50347	0.4
96.96018	7.2
96.96951	2.5
100.42534	0.3
128.09023	0.4
134.96117	1.0
134.97050	9.0
136.94014	100.0
137.94080	4.8
138.94452	0.4
176.98111	3.0
178.95078	3.8
179.01048	0.5
216.89677	86.5
217.89743	5.0
226.40500	0.6
234.90730	18.0
235.90837	1.2
247.87065	1.0
248.37227	0.3
248.87035	0.5
276.91785	1.3
276.98611	8.6
277.21722	3.9
277.98737	0.4
294.85016	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1658
Annotation	Fissoldhimine
Peak:m/z	Relative Intensity
59.01141	1.2
59.01479	4.1
60.97586	0.7
72.86678	0.4
98.20760	0.6
103.02335	1.2
107.02412	0.3
112.27670	0.3
121.03235	3.1
142.57927	0.3
146.99484	1.2
147.08463	4.6
149.01013	0.4
159.72229	0.3
165.00433	12.3
166.00493	0.4
180.99994	0.9
189.04131	1.3
191.05637	11.2
192.05864	0.9
205.07224	1.5
205.15894	1.5
207.05171	0.7
231.08763	1.8
233.10316	100.0
234.10469	7.3
259.15451	0.6
275.19955	0.3
277.16510	86.1
277.21509	47.8
278.16699	7.7
278.21793	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	271.228
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
55.01875	0.6
59.01387	0.4
70.90652	1.1
83.05029	0.5
99.76945	0.4
108.02206	0.5
122.23970	0.4
162.60770	0.4
195.44888	0.4
197.19112	0.9
221.19159	1.0
223.20709	4.8
225.22232	62.8
226.22549	3.4
253.21735	1.3
269.21338	0.6
271.22781	100.0
272.23117	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	272.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24588	0.4
59.01376	10.7
64.81655	0.3
71.01392	0.4
71.48894	0.6
72.98131	0.5
74.99384	0.5
78.95893	0.5
90.96542	0.4
109.13223	0.4
110.02497	0.5
114.05595	0.6
117.00437	1.7
128.07158	0.9
130.08734	100.0
131.09114	2.0
141.95905	0.5
158.99734	0.5
168.99898	0.6
172.01042	0.4
175.02507	0.7
199.38608	0.5
210.06261	0.7
219.01427	0.7
228.07269	2.5
230.08818	8.3
237.03253	0.5
272.09891	43.1
273.03857	0.5
273.10135	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	273.0382
Annotation	5-epi-Valiolol 7-phosphate
Peak:m/z	Relative Intensity
59.01383	0.8
65.92130	0.4
68.80056	0.3
70.81024	0.5
70.81358	0.6
71.01382	1.4
78.95903	83.2
85.01448	0.7
85.02956	1.0
87.00878	0.4
93.03474	0.4
96.96952	4.4
99.00873	0.4
99.05635	0.5
100.04024	0.6
101.00972	0.6
110.98529	57.9
111.02998	0.4
111.98898	0.5
117.00425	0.8
123.03002	0.5
125.00930	3.4
125.02415	0.4
126.98849	1.1
127.02490	1.2
127.05121	0.6
128.03549	0.8
129.06714	0.6
129.90570	0.3
130.88904	1.6
136.93961	0.8
137.02443	0.6
139.02577	0.3
141.00404	0.4
145.06184	1.1
147.02960	0.4
149.00902	1.1
151.02483	0.4
153.00455	0.4
154.90582	1.5
155.02116	0.5
157.03577	2.4
157.09744	0.5
167.02022	1.9
168.99927	5.1
169.03552	1.3
181.03578	0.4
191.01959	0.5
192.99899	0.7
193.03539	0.7
195.01459	5.5
201.08838	2.6
211.00908	1.9
225.02589	0.6
227.00499	0.5
231.03479	0.7
241.01175	17.8
255.03586	1.1
273.03836	100.0
274.04309	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	273.1132
Annotation	3',4-Dihydroxy-3,5-dimethoxybibenzyl
Peak:m/z	Relative Intensity
51.65892	0.9
54.14101	0.9
55.24136	0.9
66.36959	1.0
95.01392	8.5
98.20654	3.7
129.07010	1.2
130.04205	1.4
133.02921	1.6
145.02972	2.0
146.03738	1.3
146.12093	1.2
147.04533	6.1
158.03719	12.0
159.04535	8.3
161.02396	1.5
161.06023	1.3
169.06583	4.6
173.06059	10.0
173.16884	1.1
174.03192	7.4
174.06857	23.2
174.08372	1.4
175.03941	3.4
182.07317	1.5
185.02464	1.4
185.06084	1.9
185.09708	11.0
186.03180	4.0
187.04030	1.5
187.07579	1.7
189.09204	100.0
190.09520	3.8
195.08105	3.8
197.06085	5.9
197.09744	5.7
198.06813	6.6
199.07584	1.9
201.09201	45.1
201.11110	2.3
202.09648	3.2
203.03479	4.9
206.02155	3.0
211.04079	1.6
211.07637	3.0
212.08392	3.5
213.09215	25.4
223.07587	1.9
225.05573	9.4
226.06310	1.9
227.07050	2.6
229.08685	27.3
239.07085	1.3
240.07880	4.1
241.08707	36.5
242.09210	3.0
245.11908	3.6
255.10220	3.7
257.08267	1.5
258.08905	14.1
273.11316	77.4
274.11612	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	271.2277
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
57.58851	1.6
59.01377	100.0
60.84490	1.7
62.50503	1.5
62.50843	2.0
62.74852	1.6
71.50394	2.4
74.40320	1.7
78.40553	1.5
94.52074	1.5
108.02199	2.7
145.36786	2.0
179.60440	1.8
194.89310	2.0
210.85262	1.7
271.22766	60.8
272.23108	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2277
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
68.08809	0.2
69.40260	0.6
69.40673	1.3
78.98692	0.2
108.02142	0.3
109.02855	0.3
117.76215	0.3
122.17143	0.3
125.02406	0.5
144.69254	0.2
150.55083	0.2
155.43871	0.2
223.20697	0.3
225.22191	3.5
241.04988	0.4
253.21637	1.4
268.31360	0.2
269.21219	1.1
271.22754	100.0
272.23108	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64902	0.4
71.06377	0.5
71.06704	0.5
85.91310	0.4
108.02160	1.1
109.02936	0.9
118.14887	0.5
125.02459	1.0
132.27322	0.4
139.09453	0.4
200.98653	0.4
211.20694	1.3
225.22293	1.4
241.04958	0.6
253.21748	1.6
269.21210	0.6
270.93707	0.4
271.22791	100.0
272.23138	6.6
274.96146	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73611	2.4
59.01362	4.0
68.69039	2.3
71.01392	16.9
71.49846	3.8
72.99317	4.3
74.02469	3.8
77.69640	2.8
83.01388	3.1
84.53957	2.8
98.54202	2.6
99.00874	6.0
99.05670	2.6
109.01686	8.1
109.02965	7.4
109.06613	7.6
112.98810	7.4
115.00384	3.6
121.02961	5.6
121.06606	4.5
123.04550	4.5
128.03586	5.4
135.04604	4.2
137.01199	6.6
137.06056	4.4
142.99893	6.0
143.04623	7.8
149.02454	2.7
149.06114	10.0
149.34099	2.7
152.69661	2.5
153.05582	12.3
158.30045	2.4
173.06030	3.0
174.01688	100.0
175.29820	2.5
189.41730	2.4
193.04964	3.8
197.08186	3.2
227.09268	3.2
228.10417	3.8
241.06192	4.4
256.08243	3.4
271.02209	3.5
271.10843	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	269.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87703	0.3
57.03428	0.3
59.01379	0.5
70.40292	1.1
71.01372	0.4
75.18604	0.3
95.48162	0.3
97.06583	0.6
99.08176	0.4
99.22916	0.3
155.10826	0.3
155.14394	1.0
169.12270	0.4
183.13933	1.8
197.15518	0.7
199.13394	4.6
214.40887	0.4
220.96056	0.3
223.20650	0.5
233.19122	0.4
239.20261	0.4
239.28282	0.3
251.20137	10.5
252.20529	0.6
267.19580	1.7
268.58084	0.3
269.21204	100.0
270.21545	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	271.0613
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
54.98693	0.5
59.01357	0.8
63.02402	12.8
65.00325	21.1
69.65847	2.1
69.66254	1.0
70.27537	0.5
83.01384	12.5
88.18263	0.5
93.03461	14.6
98.20559	0.9
107.01394	27.8
108.02242	0.6
108.99297	0.5
109.02946	1.0
115.04036	0.5
119.05032	88.6
120.05376	2.0
121.03001	1.7
125.02444	2.3
133.02916	0.8
142.81013	0.6
143.05067	1.1
145.02991	1.9
151.00375	75.6
152.00732	1.5
161.06076	1.9
165.01913	3.8
169.01434	2.3
177.01935	12.0
183.62764	0.5
185.06075	1.8
187.03975	3.1
227.07135	1.6
229.04984	0.9
238.13637	1.1
241.05000	1.3
241.09845	0.9
253.04990	0.6
253.16212	1.0
256.07394	0.7
271.06119	100.0
271.15521	1.7
271.22751	1.2
272.06418	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	269.2123
Annotation	16-Oxo-palmitate
Peak:m/z	Relative Intensity
65.17334	0.6
71.06361	1.2
109.48120	0.6
113.09756	1.0
127.11275	0.8
155.10806	11.2
156.11073	1.0
171.10246	2.5
233.19145	0.6
249.26163	0.6
251.20175	13.0
269.21228	100.0
270.21579	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	269.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.5
65.89783	0.4
66.14350	0.3
71.49585	0.4
75.95045	0.3
106.99119	0.3
125.09713	1.0
134.72009	0.4
141.12846	1.2
155.10753	2.4
168.70782	0.4
171.10260	2.7
182.04335	0.3
225.22241	1.2
251.20119	5.8
269.21204	100.0
270.21533	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	269.212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20779	0.6
52.14728	0.6
55.75197	0.7
59.01354	0.8
59.29183	0.7
61.98823	0.9
71.01367	0.9
99.08186	0.8
141.67262	0.7
169.12344	7.5
186.95644	1.5
233.19112	1.1
251.20145	19.3
254.05829	0.8
267.19598	1.4
269.01160	0.9
269.04431	0.9
269.08136	3.8
269.21216	100.0
269.24536	4.1
270.21487	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	269.2123
Annotation	16-Oxo-palmitate
Peak:m/z	Relative Intensity
59.01382	0.7
60.82548	0.4
70.80294	0.5
71.41185	0.5
71.41528	0.9
97.05340	0.5
97.40707	0.4
113.09776	0.5
127.11320	0.8
132.36685	0.5
155.10826	2.9
159.11725	0.5
171.10278	6.1
251.20174	9.6
267.19693	0.9
269.21228	100.0
270.21579	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	269.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95725	2.7
55.01875	11.1
57.03440	9.2
58.00614	3.9
59.01378	57.0
59.21019	2.4
62.41295	1.8
66.30490	1.7
69.13610	11.1
69.14032	10.0
71.01381	100.0
72.99308	5.4
73.02950	41.2
79.74082	2.1
80.64865	1.8
83.01385	20.1
85.02948	58.4
87.00887	2.6
89.02436	5.0
95.01388	10.1
96.96027	2.6
97.02937	2.4
99.00879	17.8
101.02441	91.9
109.02940	11.3
110.15149	2.0
111.00894	2.9
113.02452	39.3
121.72800	2.0
125.02406	2.5
128.91000	2.3
129.01918	2.2
135.04541	5.4
146.03780	3.1
147.04500	14.2
159.02988	8.9
159.04500	7.2
161.04568	24.3
163.46935	2.3
182.86345	2.0
214.16084	2.3
262.13321	2.0
269.04504	2.9
269.08145	15.7
269.10599	4.4
269.12924	2.3
269.21060	2.4
270.22629	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	269.1296
Annotation	(+)-Quinolactacin A2
Peak:m/z	Relative Intensity
59.01386	0.5
71.49834	0.5
107.33086	0.4
110.72616	0.4
112.31187	0.4
120.04549	2.1
132.15167	0.3
145.25760	0.4
148.42982	0.4
163.00290	0.4
186.95644	0.7
197.07385	0.4
198.12914	0.5
209.06082	6.7
209.07997	0.5
210.06854	18.9
210.08897	0.6
211.04004	4.3
211.06866	0.5
211.08780	6.6
211.13397	0.8
212.04466	0.6
214.02679	0.7
225.02116	0.4
225.05528	10.0
225.10336	7.9
226.06282	4.1
226.10980	1.3
226.12750	0.6
227.06804	0.4
236.09666	0.4
239.03586	0.6
239.08269	5.9
240.09218	0.4
241.05048	0.5
241.13466	2.6
251.12012	0.4
253.05072	4.3
253.09778	3.6
254.05881	28.9
254.10556	24.3
254.13327	0.9
255.06253	1.5
255.10979	1.2
269.08255	100.0
269.12885	97.9
269.17743	1.3
269.21228	3.9
269.24811	1.8
270.08569	6.4
270.13217	5.8
290.43924	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	10.7
57.03428	7.4
58.00594	2.9
59.01378	52.7
60.28404	1.4
60.44445	1.4
68.99792	2.1
71.01382	100.0
72.01746	1.3
72.68980	1.4
72.99303	4.2
73.02943	38.9
74.02482	3.3
75.00878	1.9
83.01385	17.0
85.02950	52.8
87.00873	6.2
87.16201	1.5
89.02442	4.0
95.01388	5.9
96.95994	1.6
98.02535	2.1
99.00887	13.2
101.02438	76.6
102.02734	1.8
107.05044	2.1
108.42569	1.3
109.02935	5.4
113.02446	43.5
119.08898	1.4
121.02988	2.1
125.02460	3.2
129.01912	2.6
135.04500	6.9
138.73222	1.3
143.03537	3.2
145.03064	1.5
147.04504	5.2
149.06108	1.6
154.53889	1.5
159.02974	7.2
159.04424	2.3
161.04562	25.2
166.06300	2.3
181.08669	2.2
242.68822	1.6
243.45634	1.3
269.04526	3.7
269.08109	7.3
269.10663	8.5
269.21265	2.8
269.24820	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	269.0816
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81205	0.3
70.44665	1.0
116.85253	0.3
133.27060	0.4
209.06081	5.7
210.06853	17.9
211.04016	3.5
211.07225	0.9
211.83211	0.3
214.02655	0.7
225.02147	0.4
225.05553	8.5
226.06302	3.6
227.03572	0.3
240.04224	0.4
241.05084	0.5
253.05051	4.9
254.05823	27.7
255.06166	1.2
258.05219	0.4
269.08163	100.0
270.08511	5.6
287.44568	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99050	0.2
59.01396	0.2
68.78969	0.2
71.50781	0.3
79.11064	0.2
98.41132	0.2
197.06139	0.3
199.76663	0.2
209.06078	6.3
210.06851	18.3
211.03987	4.0
211.07005	1.0
214.02727	0.6
225.01945	0.5
225.05545	8.8
225.14920	0.2
226.06316	3.8
241.05081	0.5
253.05037	4.5
254.05832	29.5
255.06184	1.8
257.04706	0.3
269.08173	100.0
270.08487	4.8
277.46524	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0453
Annotation	Apigenin
Peak:m/z	Relative Intensity
55.55549	0.2
57.03421	0.3
59.01371	0.3
63.02393	5.3
65.00322	2.6
68.69742	0.2
68.90369	0.2
71.01379	0.3
71.50526	0.3
80.65818	0.2
83.01384	0.4
89.00339	0.2
93.03467	0.7
98.79480	0.2
105.03455	0.4
107.01384	3.7
117.03453	11.5
118.03764	0.4
121.02975	0.5
132.02211	0.3
133.02951	0.5
135.04498	1.3
149.02417	2.9
151.00360	3.2
157.06564	0.5
159.04503	3.5
161.02438	1.4
169.06554	1.2
171.04474	0.3
180.05762	0.6
181.06564	0.9
182.03853	0.3
183.04512	1.5
196.05301	0.6
197.05997	1.0
199.04012	0.4
201.05539	1.1
213.05585	0.4
224.04811	0.4
225.05528	2.4
227.03470	0.8
241.05084	0.3
251.13080	0.2
269.04520	100.0
269.24698	0.4
270.04868	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	269.0454
Annotation	Apigenin
Peak:m/z	Relative Intensity
58.12476	0.2
63.02387	2.4
65.00320	2.1
70.98086	0.3
71.07497	0.6
83.01391	1.1
91.01867	0.8
93.03471	0.3
105.03435	0.4
107.01392	4.0
108.01784	0.2
117.03457	9.0
117.04296	0.5
118.05721	0.2
121.02946	0.5
123.04487	0.4
132.02162	0.5
133.02953	4.3
135.00870	0.5
135.04532	1.1
143.66685	0.2
146.69695	0.2
146.83246	0.2
147.04491	0.2
149.02449	3.4
151.00356	4.4
153.01956	0.3
155.05037	0.5
155.07086	0.3
157.02907	0.6
159.04503	3.0
167.05061	0.3
169.06535	0.8
170.51968	0.3
171.04486	0.3
180.05786	1.0
181.06560	2.2
183.04459	1.9
184.05006	0.2
195.04367	0.3
196.05280	0.7
197.06094	0.8
199.03951	0.5
201.05576	1.9
213.05568	0.6
224.04819	1.3
225.05516	2.9
225.14928	0.9
227.03491	1.1
241.05022	0.7
269.04526	100.0
269.21207	1.2
269.24783	0.7
270.04874	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1966
Annotation	Methoprene acid
Peak:m/z	Relative Intensity
52.86668	0.4
57.03453	2.7
59.01376	1.1
67.47173	0.5
69.18845	4.2
71.01389	0.8
81.46082	0.5
87.60017	0.4
96.96044	0.5
98.95581	4.1
98.96412	0.5
101.02455	0.6
111.08153	1.6
127.07658	0.5
127.11296	9.0
137.09705	1.8
139.07668	0.8
153.12889	1.1
161.04451	0.5
170.64677	0.4
192.64673	0.4
207.17581	0.5
223.20699	3.7
229.37883	0.4
248.96239	0.4
249.18573	0.9
252.04338	0.4
264.15726	0.4
267.14828	3.5
267.19650	100.0
268.19955	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	269.0454
Annotation	Genistein
Peak:m/z	Relative Intensity
59.01358	0.3
59.27713	0.2
60.67028	0.2
63.02393	3.3
64.90583	0.2
65.00323	2.0
69.36481	1.7
69.36873	0.4
71.01371	0.4
83.01408	0.3
89.00300	0.4
91.01900	1.2
107.01391	2.6
109.03027	0.4
116.70425	0.2
117.03460	0.4
123.04530	0.6
132.02170	0.8
133.02956	7.3
135.00859	0.8
135.04512	1.6
141.03539	0.3
151.00366	0.6
155.05058	0.6
157.02948	0.9
159.04523	2.1
161.02338	0.3
167.06163	0.3
169.06615	1.2
171.04529	0.7
173.06056	0.5
180.05809	1.4
181.06552	2.3
182.03722	0.5
183.04480	2.0
195.04567	0.3
196.05278	0.9
197.06013	0.8
199.03958	0.8
201.05615	2.0
208.29706	0.2
213.05556	0.8
223.03970	0.4
224.04776	2.2
225.05406	1.4
227.03517	0.5
230.55267	0.2
240.04208	0.7
241.05035	0.8
245.43292	0.3
269.04532	100.0
269.21201	1.1
269.24902	0.7
270.04883	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96723	1.3
55.01884	5.9
56.79130	0.9
57.03436	3.9
58.00580	2.8
59.01377	100.0
70.81630	2.2
71.01376	92.3
72.99297	3.0
73.02943	24.5
83.01368	9.7
85.02943	37.0
86.03331	1.1
87.00877	4.6
87.04513	2.5
89.02439	42.6
94.51295	1.1
95.01365	6.1
97.02950	2.2
99.00873	8.0
101.02436	74.8
105.05575	14.1
113.02442	36.2
119.03499	17.2
125.02456	2.0
131.03511	1.2
137.57140	1.0
143.03502	3.9
159.02950	8.1
161.04536	41.8
165.07643	1.6
179.05612	4.3
200.00475	1.0
225.98030	1.5
267.10822	48.4
268.11224	2.0
275.92401	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33369	0.6
59.01377	4.4
61.26143	0.5
61.98844	0.8
62.37761	0.7
69.27437	0.6
69.68545	4.1
71.01385	4.1
72.99306	0.7
73.02953	1.4
76.01265	0.6
83.01390	0.7
85.02956	1.9
89.02437	1.8
98.95592	2.0
99.00915	0.6
99.08157	1.1
101.02452	3.1
103.58289	0.7
105.29750	0.8
111.78568	0.8
113.02475	2.3
119.03471	1.3
121.02943	1.0
129.56935	0.6
138.33403	0.6
144.29266	0.6
161.04608	1.6
165.12852	0.8
171.20004	0.7
179.14351	1.3
196.04019	0.8
223.20612	1.2
249.62340	0.6
252.04178	0.9
267.06683	2.1
267.19632	100.0
268.19977	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	267.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45827	2.0
55.01864	5.5
57.03436	7.7
58.00584	4.0
59.01380	100.0
63.71040	1.6
71.01382	95.4
71.48707	3.5
72.01741	2.1
72.99304	4.7
73.02953	23.7
75.00930	1.9
83.01384	14.4
85.02948	36.1
87.00885	10.7
89.02445	42.4
94.55042	1.6
95.01369	9.3
96.95991	4.2
97.02913	2.8
99.00880	11.8
101.02441	76.0
102.02794	1.9
105.01993	1.9
105.05576	14.5
108.02068	2.8
109.02947	2.6
113.02451	44.7
119.03506	17.1
125.02470	1.9
127.06411	1.9
127.23082	1.8
131.03564	2.0
132.25136	1.7
133.88824	2.0
135.03122	3.9
135.04538	1.7
143.03487	6.6
149.06044	2.0
151.02620	24.2
159.02954	5.7
161.04562	40.9
161.13258	2.2
164.04816	3.0
165.05531	6.1
179.05585	3.7
207.06528	3.9
252.04309	2.0
267.07202	21.2
267.10803	44.2
268.11307	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	267.0725
Annotation	2-O-(alpha-D-Mannosyl)-D-glycerate
Peak:m/z	Relative Intensity
52.37653	0.9
55.01854	1.2
57.03442	4.3
58.00593	1.2
59.01383	34.0
62.78629	0.9
70.53871	1.1
70.82838	1.9
70.83164	1.4
71.01385	40.4
72.72712	0.9
72.99308	4.7
73.02940	2.6
75.00874	14.7
78.95916	1.2
83.01393	1.2
85.02956	36.4
87.00883	26.2
88.04032	1.1
89.02448	13.0
91.04065	1.3
93.03444	1.1
95.01394	4.0
96.95998	2.4
99.00889	9.7
99.64186	1.0
101.02450	5.8
103.00372	2.5
105.01939	4.8
113.02460	41.6
114.02829	1.3
115.00390	2.6
117.01934	3.5
119.03468	1.5
120.24128	0.9
127.04048	1.1
129.00468	1.1
129.01950	3.1
136.94055	1.2
149.04506	1.1
169.01631	1.9
175.02484	1.3
187.02689	1.1
191.05624	28.9
192.95639	1.3
198.41304	1.0
207.05110	1.3
237.06081	1.6
248.07353	1.1
248.97269	1.1
249.06206	4.8
249.97049	1.0
266.98398	3.9
267.07224	100.0
268.07504	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	265.2172
Annotation	(7S)-Hydroprene
Peak:m/z	Relative Intensity
51.08768	0.3
51.39067	0.3
52.05630	0.3
59.01357	0.5
64.58604	0.3
70.46671	0.3
71.01383	0.4
92.55812	0.3
95.04491	0.3
96.96005	13.3
98.08322	0.3
98.23798	0.3
247.20757	0.4
265.14853	8.9
265.21698	100.0
266.22058	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	265.1808
Annotation	Tetranor-12R-HETE
Peak:m/z	Relative Intensity
52.44188	3.2
57.03433	2.6
59.01360	12.1
59.04808	2.9
71.01366	7.0
93.07104	14.2
96.95993	9.8
100.65782	2.8
101.02439	6.4
121.06572	4.6
125.09741	3.8
127.98277	2.7
149.13373	3.7
157.08536	2.8
163.03944	4.8
171.10269	91.0
173.81906	2.8
185.11870	6.3
193.18533	2.7
197.11766	3.1
203.17979	11.6
247.17014	99.2
248.17278	4.7
265.14960	7.6
265.18063	100.0
266.18481	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	265.1808
Annotation	Tetranor-12R-HETE
Peak:m/z	Relative Intensity
51.92187	1.2
57.03436	3.1
59.01374	8.9
61.98821	2.4
64.32857	1.4
70.70744	2.4
70.71074	1.7
71.01369	2.5
73.02923	1.9
78.95890	5.2
79.82760	1.5
84.92551	1.4
85.02973	1.3
95.05017	2.8
96.25359	1.8
96.58022	1.5
96.96003	9.2
97.06585	12.8
99.08129	1.7
110.06696	1.4
113.09715	1.5
121.02939	2.0
121.10235	51.9
125.06082	5.2
127.11034	1.4
130.78560	1.7
139.07765	1.6
143.07140	85.3
144.07538	1.7
149.09659	3.0
149.13370	3.1
151.11172	1.5
157.08704	3.7
163.04025	2.2
167.10745	5.7
186.89864	1.4
195.10121	1.6
203.18076	12.7
209.45381	1.6
221.11841	1.8
221.19003	2.5
247.17023	59.3
248.17340	3.3
255.83076	1.7
261.60733	1.6
265.14807	8.4
265.18042	100.0
266.18402	5.6
273.08676	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	265.1081
Annotation	Pterosin U
Peak:m/z	Relative Intensity
59.01366	1.3
69.30238	2.6
69.30666	3.7
71.01368	2.4
71.69594	0.7
95.05017	2.1
104.59539	0.8
108.02190	1.8
109.02940	0.9
121.02953	47.3
122.03494	0.7
124.01637	1.3
125.02425	1.8
135.04518	1.9
136.05301	48.0
137.06145	5.7
143.75261	0.9
147.11740	1.8
151.04065	1.9
161.02417	3.2
163.03986	7.4
163.07622	6.0
165.53287	0.7
175.07614	5.6
180.04282	100.0
181.04678	3.1
191.10753	22.6
192.11162	1.0
193.08693	6.0
205.08635	1.7
217.08659	3.3
221.11836	3.9
235.09741	19.8
236.10011	1.0
238.95906	0.8
247.09752	1.0
265.10806	54.5
265.14032	2.0
266.11194	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	265.1443
Annotation	Rugosal A
Peak:m/z	Relative Intensity
59.01358	9.3
65.03958	8.3
69.03461	3.0
70.03590	3.0
71.01363	10.1
71.50927	3.6
81.03457	26.5
83.05030	31.0
85.02944	5.1
93.03455	21.9
95.05024	9.2
96.95992	8.4
97.06524	2.9
101.02396	4.4
106.80194	2.7
108.02171	4.7
109.02951	8.1
109.06586	6.5
110.03712	5.7
111.04521	59.2
121.02955	6.6
137.06096	3.0
139.11270	9.1
161.04622	3.0
163.03978	3.2
171.10211	3.1
177.12852	8.4
193.15984	8.1
219.13924	6.6
221.11758	18.1
221.15363	3.5
237.14946	88.9
247.13416	19.2
265.14423	100.0
266.14832	7.2
278.12717	2.9
285.13629	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	265.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27187	0.3
55.15705	0.4
77.93849	0.3
79.95720	1.8
92.35562	0.3
95.95177	0.3
96.96004	100.0
101.02373	0.3
101.52003	0.3
160.05598	0.3
160.37332	0.3
217.40050	0.3
218.91238	0.3
222.31291	0.3
265.14752	76.5
266.15091	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	265.108
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.9
69.63609	1.1
69.64027	1.8
71.01395	0.7
71.05011	0.9
72.97450	0.4
73.40083	0.4
74.95347	0.5
83.01374	0.6
83.05021	0.6
119.05061	0.5
119.08667	2.8
121.02934	0.8
121.06599	1.9
134.03732	5.7
135.04477	1.5
135.08174	1.2
137.06100	2.7
147.04543	1.3
148.05278	2.0
149.06078	35.4
151.07686	1.2
159.11794	2.5
161.06114	1.2
162.06866	0.6
163.07643	37.2
164.07994	0.9
187.07669	0.6
189.05562	0.7
203.10770	8.1
205.08704	8.1
219.10260	0.6
219.48201	0.5
221.11816	84.7
222.12115	3.2
246.72395	0.5
247.09732	12.2
265.10791	100.0
266.11139	4.2
273.27347	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.108
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37108	0.7
59.01380	1.5
63.40640	0.7
64.87428	0.9
70.80621	1.4
70.80934	1.2
71.01378	2.6
76.11132	0.8
76.71197	0.9
77.51698	1.0
77.60143	0.9
84.53221	0.8
91.92032	0.9
95.05011	3.7
99.54504	1.0
105.39124	0.8
108.02129	1.1
120.73811	0.8
121.02953	51.6
122.03808	0.9
124.01663	1.8
125.02450	2.6
135.04526	2.3
136.05298	53.7
137.06053	2.7
147.11821	2.3
151.03952	2.6
161.02437	3.7
163.04018	6.0
163.07668	6.9
175.07639	8.1
180.04274	100.0
181.04678	3.3
191.10764	31.1
192.11133	1.5
193.08673	5.8
203.10709	1.3
205.08658	1.5
207.06604	0.8
217.08736	3.9
221.11809	4.4
225.30045	0.8
226.26967	1.0
235.09729	27.2
236.10242	0.9
247.09653	1.9
265.10818	44.0
265.14319	4.4
266.11252	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	265.108
Annotation	Lachnumlactone A
Peak:m/z	Relative Intensity
51.08262	0.7
55.92643	0.7
58.27383	0.6
69.03456	13.1
83.05032	0.8
91.56921	0.7
95.05051	0.9
98.20644	2.2
109.02944	1.1
119.05037	1.6
121.02957	9.9
121.06596	10.7
123.04633	0.8
134.03716	0.9
135.04489	1.5
136.05305	28.3
137.04428	1.3
137.06094	32.2
138.06409	1.2
147.04514	3.2
149.06055	2.6
155.29178	0.6
157.06610	1.0
158.07344	3.5
161.02370	0.8
162.03207	1.6
163.04021	14.7
171.08192	2.7
173.09709	25.5
174.10130	0.8
189.09084	0.8
190.06380	0.7
191.10786	8.3
199.07664	8.1
219.10263	1.9
221.11823	67.2
222.12137	3.0
247.09785	3.7
265.10806	100.0
266.11118	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	265.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67330	0.5
57.03443	3.3
58.00579	1.9
59.01376	41.3
60.01706	0.5
70.55686	1.6
71.01379	22.7
72.99297	2.4
73.02949	1.9
73.31630	0.5
75.00861	1.7
83.01376	1.6
85.02946	24.6
85.67457	0.6
87.00890	2.0
89.02443	21.3
95.01376	1.9
99.00870	0.7
99.04511	0.7
99.78359	0.5
101.02435	16.4
103.04008	34.7
103.59449	0.5
111.00862	0.8
113.02445	9.0
117.05569	0.8
119.03503	10.0
122.19620	0.6
131.03467	0.9
135.04453	0.8
143.03485	1.6
145.01477	0.6
145.05037	1.4
158.43050	0.6
159.04460	1.4
159.06592	0.6
161.04541	1.4
165.06654	1.2
177.05583	0.9
179.05600	1.2
183.75264	0.5
187.03941	0.6
205.05077	0.7
221.04436	0.7
263.75006	0.6
265.03406	2.5
265.09271	100.0
266.09579	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	263.2016
Annotation	KDC 165
Peak:m/z	Relative Intensity
58.35419	0.7
59.01369	1.3
70.25413	2.8
71.01388	1.1
73.48574	0.8
86.92547	0.7
121.55341	0.7
148.62895	0.8
160.92763	0.6
245.19199	0.9
263.20151	100.0
264.20511	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	261.0769
Annotation	(+)-cis-Khellactone
Peak:m/z	Relative Intensity
53.46216	0.6
53.92100	0.7
57.03465	0.8
58.43872	0.6
70.00365	2.4
71.01373	1.5
71.59579	0.6
73.02949	0.7
74.02469	2.5
77.87752	0.6
82.74438	0.6
92.32660	0.7
95.75375	0.6
98.20651	1.1
101.02435	1.3
116.03548	1.0
130.04262	2.1
133.06923	1.9
143.04977	1.1
154.04269	3.3
157.06528	0.8
167.05084	3.6
169.06567	1.4
171.04608	1.1
173.02367	1.2
173.06104	1.5
174.03239	13.7
175.03951	2.9
181.06590	1.2
183.04462	3.7
185.06064	5.0
187.04013	1.3
195.04495	1.1
197.06099	2.9
198.03204	12.6
199.03978	3.1
200.04768	3.4
201.05576	29.9
202.06026	1.4
203.03490	1.6
206.02246	4.7
211.04021	54.6
212.04486	3.0
213.05583	41.7
214.05977	1.9
215.07141	8.0
224.04768	1.6
225.05595	5.3
227.03519	0.7
231.06639	38.2
232.07022	1.5
243.06638	74.8
244.06985	3.3
261.07681	100.0
262.08127	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	261.0767
Annotation	3,4-Dihydro-1,2-secomicrominutinin
Peak:m/z	Relative Intensity
54.75627	0.3
59.12121	0.3
69.67911	0.9
69.68299	0.5
91.05531	0.9
97.53501	0.3
119.05038	0.5
126.12646	0.3
130.04236	0.7
131.05017	2.4
133.02925	0.4
137.06065	2.0
147.04509	11.1
173.02412	0.3
174.03192	3.2
175.03993	100.0
176.04333	2.9
185.02480	0.9
187.03955	0.4
201.05505	0.5
203.03510	0.6
206.02135	1.7
215.07091	0.7
217.04976	0.7
225.05527	0.5
243.06612	3.2
261.07660	56.4
262.07904	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	263.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91236	1.1
59.01376	11.9
70.36413	4.3
71.01380	30.1
79.46481	1.1
103.05503	1.7
105.78915	1.4
115.00378	7.7
116.76116	1.2
119.04983	1.3
121.03059	1.3
134.03691	1.9
135.04500	2.5
142.44164	1.2
147.04524	100.0
148.05165	3.0
159.04485	2.0
163.07680	2.2
175.03923	2.6
207.95857	1.2
219.10295	5.9
219.13826	1.7
225.09241	1.4
234.19827	1.3
263.05466	1.7
263.09531	2.2
263.12943	7.3
263.16013	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	263.0922
Annotation	Peucedanol
Peak:m/z	Relative Intensity
59.01373	0.9
66.13535	0.4
71.41853	0.6
79.95723	0.4
87.00879	0.5
87.04511	0.6
91.05524	0.7
105.93288	0.4
106.59096	0.4
113.02403	0.4
115.05186	0.4
119.05048	0.4
130.04193	0.6
131.04996	2.0
133.02934	0.7
133.06938	3.3
137.06068	2.4
147.04514	11.5
148.04941	0.4
149.06047	1.6
154.99887	0.4
156.05785	0.8
159.04509	1.0
161.02409	0.8
171.08141	1.0
174.03194	2.4
175.03984	100.0
176.01143	0.5
176.04378	4.4
177.04485	1.2
187.03981	7.5
189.01949	0.5
189.05602	0.9
190.02658	0.5
199.07619	1.1
206.02211	1.3
211.03989	3.9
212.04729	0.9
215.07050	0.5
219.10236	1.6
227.07115	10.3
229.04890	0.5
233.08157	0.7
245.08159	23.7
246.08531	1.1
261.07620	1.1
263.09210	86.8
264.09595	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	261.0767
Annotation	Unknow
Peak:m/z	Relative Intensity
69.15239	0.7
69.15657	1.6
69.31540	0.2
91.05527	0.6
103.05554	0.2
110.55043	0.2
119.05006	0.8
130.04230	0.9
131.05046	2.3
133.02946	0.4
137.06070	2.6
145.02908	0.3
146.03708	0.3
147.04523	12.2
148.04901	0.3
161.02437	0.6
173.02509	0.5
174.03221	3.7
175.03995	100.0
176.04341	3.2
185.02472	1.1
201.05518	0.5
203.03481	0.9
206.02202	1.3
211.99750	0.2
215.07111	0.7
217.05138	0.2
225.05612	0.7
243.06564	3.2
245.04526	0.2
261.07660	52.4
262.07996	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	261.0766
Annotation	(+)-(2S',3'R)-3-Hydroxymarmesin
Peak:m/z	Relative Intensity
51.55082	0.4
55.01886	0.5
68.79530	0.3
70.99360	0.5
73.02933	0.7
75.52286	0.3
102.38609	0.4
130.04227	3.5
137.06046	0.5
145.02908	0.8
146.03740	0.6
147.04474	1.5
161.02505	0.5
166.08368	0.3
169.06526	0.8
171.08107	0.5
173.02440	2.6
174.03200	26.7
175.03975	7.3
187.03996	5.1
189.09128	0.4
197.06062	17.4
198.06480	0.8
199.07619	47.3
200.04910	0.6
200.07996	2.0
201.01923	1.3
206.02170	10.2
207.00775	0.4
215.07126	2.9
217.08667	48.1
218.08974	2.5
243.06581	5.9
261.07642	100.0
262.07956	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	259.0976
Annotation	4-Methoxy-3,3',5-trihydroxybibenzyl
Peak:m/z	Relative Intensity
59.44620	0.2
60.87635	0.2
71.01382	0.5
71.50594	0.4
77.70979	0.3
81.16293	0.2
99.04456	0.3
104.02709	0.3
117.03451	1.1
145.02946	0.9
147.43936	0.3
148.01678	1.5
161.02423	1.0
163.04092	0.3
173.02438	1.2
174.02986	0.3
175.03987	0.4
176.01149	8.9
177.01491	0.4
183.04436	0.3
185.06056	0.5
189.01933	55.9
190.02283	1.9
201.01933	100.0
202.02275	3.7
203.03539	0.3
214.02841	0.4
215.03511	0.3
227.03587	0.4
229.05063	6.4
229.08719	0.4
230.05246	0.4
243.06627	4.7
244.07350	3.0
245.07892	0.4
259.09744	73.7
260.10080	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	259.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01133	0.7
61.98831	1.3
65.06475	0.8
71.49445	0.8
71.49926	1.0
83.05023	2.9
99.92580	2.3
123.04530	0.9
134.03728	1.5
149.06111	3.8
157.06512	1.0
159.04509	3.4
161.02419	1.3
179.10822	2.1
185.06044	2.4
187.03920	1.7
189.01860	2.6
200.08441	1.2
201.01921	2.2
201.05638	1.4
203.03510	52.5
204.03783	2.6
214.02716	1.2
215.03500	12.3
215.07166	2.1
215.10542	0.8
216.04152	1.1
229.05057	31.7
230.05382	1.4
243.06607	2.3
244.07368	5.0
259.09741	100.0
260.10083	6.8
278.25992	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	259.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93370	0.5
61.98803	0.5
65.73711	0.4
68.79711	0.6
69.76907	1.8
70.05273	0.5
79.05549	1.1
83.05022	0.9
95.01387	0.6
98.20599	0.8
99.92602	1.1
106.04250	1.8
116.08289	0.5
117.03465	0.5
121.02963	7.1
132.05811	8.4
138.03183	0.7
141.07124	0.6
145.02966	1.7
145.06604	0.9
146.03706	0.6
150.94287	0.5
155.08673	1.0
157.06578	0.7
159.04536	3.6
159.08119	1.4
160.05342	2.7
161.02519	0.5
161.09731	3.0
161.58992	0.4
164.04768	5.6
169.06595	11.0
170.07382	6.3
171.08060	0.5
172.05328	3.1
174.06859	0.6
176.01151	1.5
183.08163	2.1
185.06087	5.1
185.09709	15.6
186.10432	1.8
187.11302	7.5
189.01935	11.8
189.09241	1.3
199.07660	12.6
200.08437	7.8
201.01941	21.0
202.02402	0.5
203.03387	0.7
213.09351	0.5
215.10770	15.0
227.07153	1.2
229.05061	2.6
241.04758	0.5
243.06631	5.1
244.07428	11.9
259.09763	100.0
260.10129	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	259.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13316	0.5
61.98819	1.3
65.00300	0.5
68.36978	0.5
70.06435	1.9
70.06847	1.1
78.95887	0.9
79.05509	0.9
81.17681	0.6
93.95880	0.5
99.92560	1.6
109.64333	0.5
115.05519	0.9
115.89065	0.6
121.02931	2.4
122.46259	0.7
125.02408	0.9
129.07114	1.6
132.05838	1.3
139.05482	1.1
143.05106	0.7
145.02962	1.0
146.99614	0.5
153.07048	0.8
155.08656	3.4
155.36334	0.5
157.06538	3.5
158.03748	1.4
159.04478	1.7
161.02422	23.8
162.02750	1.1
164.04883	0.6
167.04976	0.6
168.05730	0.8
169.06572	2.9
170.07387	1.1
172.05328	0.6
173.02402	3.5
173.06012	1.1
174.03218	1.0
181.06551	1.4
183.04489	8.0
183.08070	0.8
184.05273	2.4
185.06000	1.7
185.09752	1.5
189.01906	1.2
197.06120	1.3
199.07625	79.1
200.08089	4.3
201.05507	4.3
201.09155	0.7
211.03987	63.8
212.04723	14.0
215.10753	2.0
216.07899	7.8
221.84334	0.7
225.05499	3.4
227.07121	100.0
228.07484	4.8
230.99275	0.6
243.06596	1.4
244.07370	24.8
245.07835	1.4
259.09723	65.2
260.10052	4.3
262.02536	0.6
271.06137	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	259.0974
Annotation	[3aS-(3aalpha,9aalpha,9bbeta)]-3,3a,4,5,9a,9b-Hexahydro-9a-hydroxy-6,9-dimethyl-3-methylene-azuleno[4,5-b]furan-2,7-dione
Peak:m/z	Relative Intensity
54.97909	0.8
59.39194	0.7
71.07399	0.9
71.07718	1.3
81.03446	1.9
83.05022	63.1
95.38181	0.8
99.92607	1.5
105.07085	2.1
107.05013	1.7
107.41048	0.8
108.02177	6.8
119.05002	3.4
121.02973	1.7
123.04515	25.1
124.08327	0.8
126.05624	0.9
133.02991	4.0
134.03740	28.2
135.04344	0.9
145.54694	0.8
147.04515	2.7
148.05196	1.0
149.06073	100.0
150.06386	2.2
158.06456	0.8
158.79471	0.8
159.04454	1.9
159.08092	0.9
173.06036	1.1
174.06847	3.6
176.33670	0.7
183.08153	0.8
185.06047	1.5
185.09662	5.9
187.11215	1.3
189.09232	2.4
199.07631	9.0
200.08443	8.6
215.10754	18.1
229.08676	1.5
234.56326	1.0
259.02426	1.6
259.09726	59.0
260.09988	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	259.0974
Annotation	(Z)-Suberenol
Peak:m/z	Relative Intensity
63.76409	0.2
68.99807	0.3
69.84547	0.9
79.05539	1.2
81.03453	0.2
83.05018	0.8
95.01390	0.5
95.05001	0.3
95.44153	0.2
97.39722	0.2
99.92583	0.4
105.07059	0.2
106.04253	2.1
107.05030	0.6
108.02158	0.3
116.78519	0.3
119.05021	0.3
121.02956	10.9
122.03776	0.3
123.04538	0.2
128.06285	0.2
129.07040	0.3
130.04285	0.3
131.04971	0.3
132.05809	11.0
133.02950	0.4
134.03751	0.4
135.04498	0.3
138.03236	0.4
141.07103	0.5
143.05037	0.3
145.02951	1.5
145.06572	0.8
145.10173	0.6
155.08662	1.1
157.06537	1.2
158.03697	0.7
159.04518	4.1
159.08134	1.2
160.05304	3.1
160.08905	0.5
161.09718	3.8
164.04791	7.3
165.05099	0.4
169.06584	13.7
169.10153	0.5
170.07368	7.7
171.04536	0.6
171.08009	0.7
171.11812	0.3
172.05302	4.8
173.05956	0.7
173.09743	0.3
174.03291	0.2
174.06798	0.7
181.06535	0.3
183.04507	0.5
183.08128	3.5
185.06100	6.7
185.09703	19.6
186.06462	0.3
186.10378	2.5
187.07695	0.3
187.11272	9.3
188.11586	0.3
189.09204	1.9
189.48405	0.2
192.04257	0.5
197.06027	0.5
197.09781	0.4
199.07640	15.6
200.08408	9.5
201.08780	0.6
210.52803	0.2
211.03987	0.6
213.09167	0.8
215.10753	18.0
216.11069	0.5
227.07129	0.8
230.98587	0.2
241.51228	0.2
244.07388	0.3
259.09741	100.0
260.10077	6.3
262.24799	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09034	0.6
59.26591	0.5
66.81870	0.7
71.50871	0.9
71.51237	0.8
78.95892	0.7
86.62530	0.6
86.89984	0.7
99.92582	1.2
124.01589	0.6
130.04225	2.4
133.87691	0.6
164.04881	0.6
173.02438	2.0
174.03195	27.0
175.03592	0.6
195.88461	0.6
199.07596	2.2
206.00267	1.0
206.02188	16.3
207.02463	0.7
211.03984	56.0
212.04469	4.6
215.01706	0.7
217.05025	0.8
225.05579	2.0
227.07112	74.7
228.07452	4.5
229.08669	77.9
230.09074	3.7
259.09711	100.0
259.21048	5.2
260.10117	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	259.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03421	0.6
57.75528	0.6
58.75273	0.7
59.01374	0.7
69.84675	2.4
79.05525	1.1
115.05485	0.6
121.02949	1.9
129.07133	1.5
130.04245	0.7
132.05795	1.6
139.05533	1.4
145.02928	1.0
153.07092	0.8
155.08670	3.5
157.06572	2.3
158.03676	0.7
159.04535	1.1
160.05302	0.6
164.04900	0.6
167.05054	1.2
168.05859	0.7
169.06577	4.0
170.07353	1.8
172.05324	1.1
173.02370	0.9
174.03294	0.7
181.06570	1.8
183.04507	6.8
183.08104	1.8
184.05310	2.9
185.06064	2.3
185.09717	4.2
187.11333	1.1
197.02338	0.6
197.06078	0.9
199.07631	79.8
200.08043	5.3
201.09235	0.8
211.03998	62.3
212.04703	11.9
215.10710	3.5
225.05539	3.4
227.07121	100.0
228.07538	4.3
229.08609	1.3
243.06624	1.6
243.32767	0.5
259.09726	69.5
260.10004	4.2
271.06091	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	259.0609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72435	0.3
65.48877	0.3
69.88232	1.4
71.90298	0.3
78.34913	0.3
80.90148	0.3
84.73145	0.3
95.60992	0.2
96.83685	0.2
130.04245	4.4
145.02902	0.4
146.03725	0.7
173.02441	3.0
174.03212	33.8
175.03534	0.8
199.03966	2.0
200.04790	4.4
201.05167	0.3
206.02197	13.7
207.02431	0.3
215.07111	100.0
216.07448	5.3
230.99181	0.3
259.06076	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	257.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.1
69.03452	33.3
69.22621	6.7
70.03751	1.0
70.49145	0.6
71.01364	0.9
72.99313	0.8
73.02938	1.4
79.01885	23.4
80.02244	0.8
81.03446	1.7
82.72067	0.7
85.02949	2.0
86.40600	0.7
95.01385	7.9
97.02947	22.3
107.01382	35.4
109.06604	1.0
113.36518	0.7
121.02962	5.6
123.00890	10.4
125.02440	40.8
145.31755	0.7
150.53664	0.8
151.00362	50.1
173.55911	0.8
177.62500	0.7
188.81645	0.8
189.55588	0.7
189.70743	0.7
193.08707	1.0
195.13875	2.0
198.06837	0.8
198.27779	0.8
213.09201	2.5
242.05830	100.0
243.06154	5.2
256.23608	2.4
257.08182	12.5
257.13919	5.0
257.17661	1.9
257.23822	2.1
258.08356	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0154
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	6.7
61.84098	2.4
61.98831	100.0
69.60345	13.2
71.01407	3.0
98.19946	4.1
135.81432	2.4
161.04428	2.4
225.09750	2.5
255.23320	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	253.2173
Annotation	Sapienic acid
Peak:m/z	Relative Intensity
59.01369	36.5
65.16671	19.1
96.57360	16.0
98.19930	38.6
116.62411	17.1
222.92644	16.9
236.40265	16.4
253.21663	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	253.2172
Annotation	Delta2-trans-Hexadecenoic Acid
Peak:m/z	Relative Intensity
59.01361	1.2
60.26369	0.5
61.78559	0.5
71.26236	0.8
84.64267	0.5
104.65627	0.4
128.39055	0.4
206.89351	0.4
253.21715	100.0
254.22012	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	251.2015
Annotation	Hugonianene B
Peak:m/z	Relative Intensity
58.51087	0.3
59.01376	1.7
59.01634	0.3
59.72550	0.3
70.36026	0.9
70.36349	0.4
71.01374	1.2
73.02923	0.4
81.66866	0.3
85.02959	0.8
94.74984	0.4
101.02448	1.0
104.19907	0.3
113.02418	0.5
116.69199	0.3
122.66930	0.3
135.23616	0.4
176.57323	0.4
225.65956	0.3
233.19093	0.8
251.20131	100.0
252.20424	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	251.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	8.9
57.03440	6.0
58.00582	3.0
59.01379	83.3
62.35631	1.8
63.61759	1.8
64.27743	1.8
69.94050	1.7
70.76706	4.5
70.77086	2.7
71.01380	99.0
71.01780	4.7
72.99302	4.1
73.02943	35.8
74.55255	2.4
75.00881	2.7
83.01387	16.1
85.02460	3.8
85.02946	48.3
87.00881	5.1
87.85271	1.7
89.02448	26.6
95.01366	7.1
97.02917	2.5
99.00884	11.8
101.02439	100.0
103.21046	1.7
111.00788	1.9
113.02454	42.0
119.03483	6.1
129.01903	1.7
135.04549	3.6
143.03447	4.2
159.01843	1.8
159.02875	9.3
161.04546	41.5
169.14517	1.9
189.05571	4.2
251.11392	22.3
268.55847	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	251.056
Annotation	Desmethyldiaportinol
Peak:m/z	Relative Intensity
56.83747	0.6
59.01378	11.9
69.53374	3.9
71.01392	1.2
75.46439	0.6
96.96029	1.4
101.02477	0.8
121.02966	1.1
145.02966	1.1
146.03731	2.5
148.01654	8.9
161.02438	1.6
163.04016	7.2
173.02431	20.0
174.03203	91.8
175.03549	3.4
175.06960	0.7
188.30025	0.6
189.05560	100.0
190.05908	4.0
191.03494	10.2
200.70665	0.6
209.37674	0.5
218.02263	0.9
233.04524	22.8
251.05507	5.3
251.09361	0.8
252.06073	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0561
Annotation	Desmethyldiaportinol
Peak:m/z	Relative Intensity
50.49385	0.8
51.61142	0.9
59.61005	0.8
63.29710	0.8
64.90281	0.9
67.01862	1.1
67.59035	0.9
68.97512	0.9
69.19299	6.2
69.19722	3.3
71.01385	1.8
72.25977	1.0
82.61604	0.9
103.05537	1.4
115.04595	0.9
121.02923	4.2
130.04222	2.9
131.05025	1.4
133.02994	1.4
136.05307	8.5
145.02927	1.2
147.04524	9.7
148.05325	2.6
149.01274	1.9
149.02429	22.8
149.06125	4.5
161.02405	1.5
161.94319	1.0
163.00328	2.7
163.03975	3.2
163.07622	3.7
164.01114	3.3
164.04796	15.9
170.33649	0.9
174.03264	0.9
175.04002	33.7
176.01122	16.3
176.04349	1.7
177.01926	53.9
177.05521	1.9
178.02293	2.2
179.03435	1.9
179.07103	7.0
182.79294	0.9
189.01880	1.4
190.02693	3.3
191.03520	16.8
192.04277	100.0
193.04558	3.4
205.05089	1.3
207.06610	81.2
208.06902	3.4
217.01375	4.1
221.04457	1.1
233.04517	14.2
236.03217	3.7
251.05562	30.9
251.12646	1.6
251.16591	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	249.1858
Annotation	roughanic acid
Peak:m/z	Relative Intensity
50.85413	0.4
55.94373	0.5
57.96257	0.5
59.01370	1.7
70.05524	1.8
92.17723	0.6
167.74213	0.5
181.96109	0.6
186.30534	0.6
205.19592	0.9
231.17583	1.1
247.17076	0.8
249.18579	100.0
250.14551	3.3
250.18880	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	249.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48180	0.4
58.99130	0.4
59.01387	1.1
61.98828	1.2
68.99575	1.9
71.01381	1.5
72.25764	0.5
89.25073	0.4
93.03442	0.7
108.02195	1.3
109.02940	0.8
109.06612	0.6
112.98557	3.8
119.01379	0.4
121.02950	50.1
122.03796	0.7
124.01649	2.3
125.02437	2.4
133.02969	0.6
135.04503	1.8
136.05298	57.8
137.02452	0.6
137.05937	2.3
144.04558	0.5
147.04636	0.5
148.01665	1.9
151.04008	2.3
154.97382	2.5
161.02434	7.7
176.01132	8.0
177.01904	2.2
177.09216	7.0
180.04274	100.0
181.04642	3.8
189.01944	1.2
189.09232	2.5
189.12776	0.7
191.03497	4.8
202.99786	0.5
204.00587	1.3
204.04202	0.5
205.01390	1.0
205.12328	8.9
205.15919	4.1
217.01430	1.8
221.00890	0.5
231.10211	2.8
234.01645	0.6
248.97574	2.1
248.99922	0.6
249.04059	7.0
249.11314	36.8
249.14983	5.6
250.11630	2.4
250.14493	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	249.1108
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22118	1.2
57.03417	1.5
57.79836	1.1
59.01387	2.1
71.06208	1.5
74.07415	1.2
75.57710	1.1
127.07642	7.1
133.10268	1.8
151.11249	2.0
154.97450	1.2
159.53851	1.2
163.11163	1.2
167.06818	3.0
167.93028	1.1
168.94904	1.2
169.08478	2.3
171.73477	1.1
175.93956	1.2
176.37669	1.0
179.10808	1.4
181.12340	26.9
183.13863	1.3
189.09108	1.1
197.11703	1.7
199.07426	1.6
201.08940	6.1
203.07141	1.4
203.10515	17.3
205.08487	2.3
205.12137	3.8
211.05920	1.3
215.06842	2.7
217.08418	4.3
219.09999	10.0
221.11473	6.3
223.13132	100.0
224.13474	3.9
233.07922	10.4
235.09531	22.9
237.11070	56.2
238.11368	2.2
249.11064	91.4
249.15039	3.8
250.11707	6.2
250.14436	5.3
252.49803	1.2
265.10599	8.2
267.12122	71.9
268.12506	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	249.088
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02973	5.6
61.74392	0.4
63.74181	0.5
69.14613	0.5
71.01379	9.0
86.73817	0.5
89.36426	0.5
92.05048	2.9
109.02964	0.8
115.00381	1.4
116.05080	2.9
118.06627	14.9
128.04115	0.8
128.05063	17.2
129.05389	0.5
131.03763	13.2
135.04524	3.9
144.04547	100.0
145.02914	0.7
145.04915	2.6
146.06114	42.4
147.01949	0.9
147.04478	1.4
147.06458	1.3
159.04521	1.2
161.02402	0.8
161.06071	0.6
172.04036	8.3
175.04002	1.1
176.04802	1.2
177.09204	1.5
179.03502	3.5
187.03995	2.1
190.05086	62.5
191.05429	1.7
205.05170	0.7
205.08691	1.4
249.03981	1.4
249.08849	2.2
249.11336	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0404
Annotation	Aureoquinone
Peak:m/z	Relative Intensity
55.55688	0.6
57.56694	0.7
70.46754	1.3
70.47115	1.6
80.60472	0.6
89.37734	0.7
104.02694	3.6
117.03458	1.1
123.00864	1.4
145.89926	0.7
147.00914	1.5
148.01666	18.5
149.01950	1.2
161.02438	2.0
163.00343	1.0
166.32124	0.6
176.01147	100.0
177.01900	13.6
189.01930	15.1
190.02634	1.2
190.99844	2.8
191.03503	58.3
192.00662	1.3
192.03784	2.0
202.99829	4.1
203.03479	2.1
204.00624	13.4
205.01398	12.2
205.04877	0.7
216.00639	6.7
217.01402	33.3
218.01822	1.2
219.02985	2.8
221.04521	0.8
231.02916	4.5
234.01649	12.5
247.02521	1.2
249.04034	93.9
250.04320	4.4
265.18958	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0402
Annotation	2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-2,4-dienoate
Peak:m/z	Relative Intensity
55.32823	0.5
57.47763	0.6
71.01384	1.1
71.50314	1.7
95.01382	0.7
104.02666	3.9
105.75134	0.8
109.02969	0.9
110.35275	0.7
110.46819	0.7
117.03431	1.0
123.00883	0.7
133.02982	1.2
145.02995	0.9
147.00858	1.2
147.04547	1.1
148.00554	1.3
148.01654	18.5
159.04529	1.9
160.01556	0.8
161.02408	5.1
161.06056	2.3
162.02876	0.7
163.00412	1.1
164.14203	0.6
173.02429	1.0
176.01132	100.0
176.04703	2.9
177.01884	16.7
177.09201	5.7
178.02394	0.7
187.07643	1.6
189.01901	17.1
190.02748	3.2
190.99905	3.2
191.03484	56.6
192.00572	2.1
192.03812	2.3
202.06268	0.8
202.99835	4.5
203.03516	2.0
204.00598	12.7
205.01370	11.6
205.05078	1.1
205.08699	3.9
216.00606	6.4
217.01390	34.2
218.01726	1.8
218.99327	0.7
219.02919	3.5
221.04465	1.5
231.02927	4.6
234.01675	11.0
247.02451	1.2
247.99718	0.7
249.04008	86.0
249.11223	2.7
250.04335	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	247.1699
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
61.30146	0.2
69.36133	0.9
77.89394	0.2
81.42546	0.2
87.19650	0.2
101.62039	0.1
104.46848	0.2
116.44984	0.2
132.09975	0.2
157.86731	0.2
170.15993	0.2
179.07118	0.2
184.00156	0.2
205.15903	0.4
220.16928	0.2
231.13934	0.5
247.17004	100.0
248.07979	0.3
248.17337	6.9
260.65054	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0975
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
59.01376	0.7
61.98829	0.5
70.72516	0.7
71.01373	0.7
72.99268	0.4
79.05510	0.4
83.05020	10.1
89.02444	0.5
93.03450	0.5
93.07058	1.9
94.73508	0.4
95.05019	1.1
96.30067	0.3
107.04992	0.9
109.02921	0.8
116.77227	0.3
119.05038	1.2
121.02926	3.2
123.04548	1.8
132.98186	0.6
134.03755	0.7
135.04509	1.3
136.05301	2.3
137.06081	42.0
138.06456	1.1
147.04597	0.5
159.04543	0.6
159.08147	0.5
159.11801	0.8
161.02588	0.5
162.03220	1.4
163.04010	0.5
165.01933	0.4
175.04012	0.5
175.11319	0.9
176.01193	1.2
185.09666	0.6
186.95645	1.1
187.07596	0.6
188.08482	1.2
191.03406	0.4
201.09196	5.5
203.10770	100.0
204.11095	4.4
219.03061	0.6
220.07452	0.7
229.08681	19.0
230.08963	0.9
247.09743	45.7
248.07841	0.7
248.10118	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	247.0975
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
50.61397	0.6
57.40509	0.5
57.55287	0.6
59.01369	0.9
60.60109	0.6
67.01881	3.0
70.59959	1.7
71.01362	0.7
72.99278	0.8
77.97692	0.6
79.05514	0.8
83.05031	2.5
84.43564	0.5
93.93802	0.5
102.09212	0.5
107.05016	1.4
121.02946	0.6
133.02937	0.8
133.06587	0.9
133.10239	1.4
134.03709	0.6
135.08096	1.6
137.09729	0.8
147.04494	1.4
148.05302	4.5
159.04529	2.5
159.11777	3.6
160.05266	0.6
161.09697	3.2
163.07555	0.9
169.06667	0.7
173.06018	2.8
174.03247	2.2
174.06853	1.5
175.04056	0.6
175.07632	12.3
175.11313	0.6
185.06064	2.0
185.09673	1.4
186.95625	1.6
187.07639	9.8
188.08415	2.0
201.09271	2.1
203.10764	100.0
204.11102	4.5
219.02876	1.0
229.08693	12.9
230.08867	0.9
246.29204	0.6
247.09735	83.0
248.10030	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	246.1134
Annotation	Fagaramide
Peak:m/z	Relative Intensity
52.69209	0.4
54.73894	0.3
117.85394	0.4
130.19710	0.4
136.08522	0.4
147.03259	4.8
160.04051	0.7
161.02420	1.2
162.03236	2.2
163.03932	1.4
175.02684	1.4
175.04031	0.7
176.03516	2.2
188.03427	0.7
189.04306	100.0
190.04610	4.2
202.04994	0.5
217.07323	0.5
223.95520	0.4
246.11339	94.3
247.09654	1.4
247.11786	4.3
267.65317	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89293	1.2
57.03450	1.9
57.48370	1.4
58.00583	7.5
59.01373	21.4
69.50880	8.0
71.01373	14.6
71.05022	1.3
72.02148	2.6
72.99313	3.4
73.02934	1.9
75.00858	1.6
78.57431	1.1
81.07082	2.0
85.02984	2.1
87.00873	12.1
89.02452	10.5
95.05029	5.0
97.06587	17.1
98.19912	1.9
99.08155	10.0
101.02443	1.9
104.93393	1.2
105.01939	3.2
108.02118	2.1
109.06586	4.0
111.08152	1.5
112.01648	2.6
125.06064	3.8
127.07647	100.0
128.07974	1.8
129.01942	3.2
129.09213	5.5
129.10265	2.1
137.06067	7.4
139.07629	8.9
141.10335	1.7
141.64088	1.2
144.00623	1.9
147.02968	2.9
155.07129	41.9
157.08710	4.2
167.07179	2.2
169.08626	1.9
185.08165	5.8
204.05672	1.2
244.98999	1.5
245.10341	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	245.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00599	6.6
59.01381	23.0
68.58097	1.1
71.01388	11.9
71.37093	1.4
71.37429	1.8
72.02164	3.0
72.99303	2.0
73.02933	3.2
84.02151	1.3
85.02946	4.2
87.00870	15.3
89.02444	6.7
95.05031	3.7
97.06587	13.2
99.08163	10.4
101.02448	1.8
105.01932	3.4
107.05003	1.4
108.02164	2.4
109.06590	5.0
111.08154	2.4
112.01688	2.3
123.08108	1.4
125.06078	2.2
127.07655	100.0
128.07979	3.7
129.01901	2.0
129.09225	8.3
129.10066	1.4
137.06113	6.9
139.07654	8.7
147.03001	3.5
155.07135	45.5
156.07495	1.7
157.08710	2.6
167.07118	3.2
185.08194	6.0
245.10229	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	245.0929
Annotation	N-Acetyl-DL-tryptophan
Peak:m/z	Relative Intensity
58.02975	24.0
61.92952	1.3
68.77181	1.1
70.02974	16.4
72.00912	5.7
72.04548	4.7
72.99336	1.2
74.02473	100.0
78.05907	1.3
88.55914	1.2
97.86550	1.4
98.02478	23.9
98.19855	2.7
109.61308	1.3
115.93201	1.3
116.03548	27.6
116.05058	38.7
116.05853	2.2
117.05412	1.4
120.05024	1.6
128.05437	1.2
130.06653	4.9
142.06621	9.3
159.09300	6.0
175.03995	3.3
183.09297	2.4
186.05646	3.1
191.55116	1.3
201.10425	6.2
203.08257	90.1
204.08623	4.2
227.07227	2.1
229.36502	1.3
229.38937	1.4
245.00880	2.2
245.09360	73.2
246.09657	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	245.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18301	0.5
69.25114	5.0
109.72265	0.6
122.18475	0.7
129.07220	0.6
130.04245	4.4
146.03671	1.2
147.04518	0.7
159.04553	0.7
159.74353	0.6
161.02338	0.6
166.05055	0.9
167.05038	0.6
173.02516	2.7
174.03200	28.0
175.03894	4.4
183.04482	1.4
186.46588	0.5
187.03975	5.5
193.64771	0.6
199.07657	6.8
200.04825	2.6
206.02199	12.7
211.03992	45.8
212.04558	3.6
213.05484	0.8
215.07114	44.0
216.07462	2.5
225.05521	1.3
227.07126	37.2
228.07483	2.2
243.06746	0.8
245.08163	100.0
246.08507	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	245.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97296	0.3
59.01379	0.4
59.77187	0.3
61.98832	1.9
69.03498	0.4
71.01374	0.4
71.04567	0.8
72.33290	0.3
74.15799	0.4
96.38890	0.4
97.17381	0.4
99.92578	0.4
100.92655	0.5
109.02969	0.4
121.03004	0.4
122.03704	0.5
132.17928	0.3
134.03717	1.5
145.02875	0.4
146.03725	1.0
147.04529	0.5
161.02426	1.3
162.02017	0.3
162.03255	4.7
166.02719	1.5
173.02448	0.4
174.03200	0.8
175.04015	1.5
180.09962	0.3
185.00453	0.3
189.01996	2.1
190.02718	20.6
191.02945	0.7
194.02174	3.3
201.01918	5.7
201.09195	0.7
202.02519	0.5
205.72769	0.3
211.03957	0.9
215.06941	0.4
220.06721	0.4
222.01695	24.3
223.02040	0.8
227.07117	0.9
229.05098	1.1
230.05862	1.4
234.12036	0.4
239.18753	0.3
245.08179	100.0
245.17566	1.3
246.08527	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	245.082
Annotation	Hibiscoquinone B
Peak:m/z	Relative Intensity
54.50978	0.3
57.03449	0.3
57.86397	0.3
59.01368	0.8
61.98816	0.6
67.35748	0.3
69.03439	0.3
71.01382	0.4
83.05020	1.2
83.23676	0.4
93.39578	0.4
130.04248	5.6
131.05006	0.5
135.04617	0.4
137.06136	0.5
137.09694	0.9
145.02940	1.2
146.03732	1.4
147.04488	1.8
160.08875	0.7
161.02356	0.5
161.09714	0.8
171.08072	0.5
173.02429	3.7
174.03207	30.4
175.03987	10.8
178.02728	0.6
180.45099	0.4
181.06630	0.3
185.02373	0.7
187.04037	0.6
189.04266	0.6
189.09187	0.4
189.12843	3.5
197.06006	0.5
199.07703	1.6
201.01997	0.4
201.05548	0.7
201.09299	0.6
201.12807	1.8
202.61592	0.3
206.02184	16.1
207.02596	0.6
211.04018	4.6
212.04585	0.7
213.01939	0.5
215.07109	1.0
215.14334	0.9
217.08618	0.4
227.07141	8.2
227.14421	2.0
228.07291	0.4
230.05679	0.3
230.13130	0.9
245.08160	100.0
245.15335	7.9
246.08517	5.8
246.11087	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0818
Annotation	Hibiscoquinone B
Peak:m/z	Relative Intensity
76.34570	0.5
77.63504	0.5
93.03455	0.5
95.01413	0.5
107.75822	0.4
111.65091	0.4
117.03469	1.1
130.04239	1.8
133.02937	3.3
134.03735	48.9
135.04059	1.6
146.03624	0.5
147.39905	0.5
148.01675	3.3
156.83847	0.5
161.02435	77.5
162.02821	3.9
173.02541	0.8
173.06113	0.4
174.03203	19.0
174.06860	0.5
175.03896	1.6
187.04001	1.2
189.09200	16.3
189.12782	1.2
190.02708	17.0
190.09505	1.1
194.02200	1.1
199.07739	0.5
201.05621	0.9
202.06369	6.0
206.02176	0.8
211.04062	0.9
215.07126	1.6
216.07849	1.6
217.08673	60.2
218.09085	3.3
222.01666	16.2
222.03848	0.9
223.01849	0.8
227.07196	1.1
231.06564	0.7
245.08162	100.0
245.15350	1.9
246.08493	5.8
260.65430	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.5
62.18009	0.3
69.14269	3.0
83.20885	0.3
97.74706	0.3
106.51828	0.3
115.95679	0.3
128.31035	0.3
130.04240	2.6
138.63945	0.3
145.02928	0.6
146.03722	0.8
147.04536	0.7
155.08667	0.3
157.06555	0.3
166.05095	1.6
167.05040	0.3
173.02434	2.1
174.03207	23.4
174.68166	0.3
175.03987	4.0
181.06697	0.5
183.04547	1.2
187.03957	1.9
197.06085	0.4
199.03938	0.5
199.07642	5.8
200.04805	2.1
200.07945	0.4
206.02188	9.6
207.02400	0.3
209.05939	0.3
211.03990	41.7
212.04463	3.4
213.05510	0.5
215.07114	39.9
216.07491	2.1
224.78035	0.3
225.05547	2.2
227.07129	29.4
228.07503	1.5
242.70634	0.3
243.06764	0.5
245.08167	100.0
246.08534	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	245.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41463	0.2
56.95922	0.2
65.00327	0.3
69.45340	1.6
71.70712	0.2
75.65248	0.2
86.07027	0.2
86.22639	0.2
91.05524	0.9
98.19887	0.4
103.05569	0.2
107.05016	0.2
119.05045	0.4
130.04251	1.1
131.05032	2.7
133.02945	0.6
137.06081	2.6
146.03670	0.3
147.04520	13.0
148.04851	0.3
160.39624	0.2
172.33163	0.2
173.02425	0.8
174.03218	4.6
175.03995	100.0
176.04320	4.0
178.02608	0.2
183.13834	0.3
196.49701	0.2
199.07611	0.9
199.13351	0.6
206.02223	2.2
211.03990	4.8
211.05870	0.4
212.04568	0.3
215.07121	0.5
227.07121	5.9
228.07545	0.3
245.08173	35.4
245.13515	1.6
246.08533	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	245.0819
Annotation	Phellodenol C
Peak:m/z	Relative Intensity
64.19256	0.2
68.56844	0.2
70.80608	0.6
79.05537	0.3
93.03451	0.2
104.75679	0.2
107.05048	0.7
129.07135	0.7
130.04234	1.0
145.01892	0.5
145.02963	7.1
146.03722	1.8
147.04471	0.6
155.08601	0.5
156.05746	0.3
157.06570	1.5
160.86447	0.3
169.06569	0.3
171.08199	0.6
173.02444	4.0
174.03226	28.7
175.03984	4.0
178.02737	0.8
181.06627	1.3
183.08148	6.8
187.04039	0.7
187.07722	0.4
189.04317	0.5
189.09206	0.4
197.06050	0.6
199.07649	3.1
200.04808	1.3
201.09346	0.4
206.02206	14.3
207.02612	0.4
209.06119	0.5
211.04208	0.2
213.05656	1.2
214.06287	0.5
215.07129	34.6
216.07507	1.9
227.07144	30.4
228.07539	1.8
243.06735	1.2
245.08182	100.0
246.08546	5.4
246.11133	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54580	0.3
53.04024	0.2
54.27819	0.3
61.98835	0.7
63.35319	0.3
65.03964	1.2
67.01893	0.5
69.67534	0.9
69.67946	0.8
78.43214	0.3
79.05521	0.5
82.08940	0.3
83.05022	7.5
84.21629	0.3
86.22860	0.3
89.03972	0.4
90.97188	0.3
91.05527	7.5
93.03465	1.8
93.64111	0.3
94.42786	0.3
98.19995	0.5
99.92591	0.4
105.07125	1.0
107.05038	1.1
117.03484	0.8
118.04284	0.4
119.05005	0.6
121.02951	4.8
121.91121	0.3
133.02939	0.7
133.06606	1.2
134.03743	5.8
134.42120	0.3
135.04524	42.6
136.04887	1.2
141.07106	0.6
149.02437	0.9
155.08681	0.9
157.06575	0.4
157.10286	0.5
173.09691	2.1
174.03224	0.3
175.04019	0.5
183.08134	1.3
184.10258	0.3
185.06081	0.9
186.06828	0.4
187.04173	0.3
199.07646	0.4
201.09200	100.0
202.09525	4.8
215.03452	0.3
215.07053	0.5
227.07150	0.5
244.17509	0.3
245.08163	23.8
246.08487	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	245.0818
Annotation	Norpinguisanolide
Peak:m/z	Relative Intensity
52.79760	0.5
59.01373	1.1
61.98817	2.2
65.00347	0.5
65.03964	1.3
67.01888	1.2
69.27610	3.4
69.28024	1.3
71.01413	0.6
75.45943	0.5
76.88667	0.6
79.05545	2.6
83.01367	0.9
89.03975	0.7
99.92549	0.7
100.92609	1.0
109.02935	1.2
117.03465	2.9
121.02980	0.9
122.03740	0.8
131.08673	0.9
141.07111	3.0
143.04990	0.9
145.03001	0.8
155.08684	3.1
157.06606	0.7
157.10257	3.5
159.08130	1.6
160.62413	0.5
171.04494	1.5
173.02420	1.0
173.06000	1.4
174.03302	1.1
174.99249	1.2
175.03986	3.2
176.01125	1.3
183.08231	0.9
185.06065	9.0
186.06766	2.3
189.01903	0.7
189.04315	1.2
190.09210	0.6
199.07640	3.1
201.09204	69.0
202.09529	3.8
205.38429	0.6
206.02274	1.0
211.04018	1.3
215.03494	25.9
215.07042	1.8
216.03835	1.3
227.07158	1.8
229.05038	4.5
230.05748	1.0
245.08174	100.0
246.08543	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	245.0819
Annotation	(R)-(+)-7-Hydroxy-8-(2-hydroxy-3-methyl-3-butenyl)-2H-1-benzopyran-2-one
Peak:m/z	Relative Intensity
59.01376	0.3
61.98819	1.8
63.72500	0.3
71.42635	0.4
71.44855	0.3
87.67114	0.4
88.41000	0.3
93.39050	0.3
95.01376	0.6
109.02959	0.8
121.02898	0.9
122.03735	6.4
122.97406	0.3
130.04268	0.4
134.03696	0.6
137.02403	0.3
145.02969	0.8
147.00786	0.4
149.02429	1.4
161.02432	0.4
162.03195	2.9
172.15279	0.4
173.02463	0.5
174.03214	0.9
175.00410	2.3
175.03911	1.4
176.01096	1.2
187.04024	0.5
189.01897	0.6
190.02702	32.0
191.02994	1.1
193.01404	0.5
201.01906	0.7
201.05461	0.6
201.09238	1.0
202.02652	1.1
205.01506	0.5
206.02200	0.8
211.03955	0.7
213.05484	0.4
215.07106	0.9
222.01668	12.7
227.07083	1.5
229.05034	5.4
230.05794	7.3
231.05969	0.4
245.08159	100.0
246.08522	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	245.0817
Annotation	4,4'-dimethyl[1,1'-biphenyl]-2,2',5,5'-tetrol
Peak:m/z	Relative Intensity
62.32811	0.4
74.40405	0.4
92.16022	0.4
98.20660	1.0
99.72135	0.5
103.55892	0.4
104.02711	0.5
109.06608	0.4
118.04237	0.9
132.02159	2.2
144.68665	0.4
148.01672	2.2
157.10146	0.7
159.04515	0.6
159.08128	0.7
159.23010	0.3
171.04572	0.6
173.06081	0.6
173.09630	0.4
174.03189	1.3
175.04024	1.0
175.99586	0.6
176.01128	12.0
177.01541	0.5
185.06013	1.0
186.06857	4.9
187.04033	0.9
189.01904	0.4
190.02753	2.0
201.01929	1.2
201.09259	2.9
203.03442	1.5
215.03471	17.9
215.06819	0.7
216.03745	0.9
222.01645	1.0
227.07098	0.7
229.05054	4.6
230.05780	7.8
231.06076	0.5
236.19234	0.4
245.08153	100.0
246.08516	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	245.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81238	0.5
57.29386	0.4
59.01376	1.4
100.37294	0.4
103.23380	0.4
130.04263	3.9
145.02951	0.6
146.03738	0.7
146.17365	0.5
147.04573	0.6
157.06557	0.5
157.12341	0.7
161.02467	0.6
165.59288	0.5
167.05038	0.5
173.02460	2.3
174.03220	23.4
175.03961	4.4
183.04474	0.9
183.08012	0.6
187.04033	3.4
197.06067	0.6
199.07663	6.7
200.04826	1.9
203.12921	4.6
206.02208	12.6
211.04015	39.2
212.04504	2.9
213.05576	0.8
214.06430	0.5
215.07132	39.8
216.07439	2.4
225.05644	1.9
227.07141	28.6
228.07481	1.7
245.08183	100.0
246.08528	5.3
255.24411	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.9
69.22927	2.6
69.23344	1.5
78.20563	0.4
85.32394	0.4
92.80922	0.4
95.77744	0.4
106.33953	0.4
125.09804	0.5
129.88518	0.5
130.04239	4.1
145.02890	0.7
146.03719	1.0
147.04512	0.6
157.06595	0.6
157.12338	0.8
159.04587	0.7
161.02466	0.6
173.02477	2.5
174.03204	26.9
175.03941	3.4
175.88948	0.4
178.02733	0.4
181.06618	0.4
183.04509	1.0
185.11775	0.7
187.03993	3.0
189.23683	0.5
199.04027	1.1
199.07639	6.7
200.04840	2.1
203.12857	3.9
206.02179	13.2
207.02451	0.7
211.03999	44.6
212.04437	3.4
213.05540	1.3
214.06425	0.6
215.07112	41.8
216.07434	1.9
225.05519	2.7
227.07126	32.8
228.07455	1.3
245.08167	100.0
246.08467	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	243.1961
Annotation	2-Hydroxymyristic Acid
Peak:m/z	Relative Intensity
59.01375	4.3
60.24446	0.9
61.98825	13.2
62.79615	0.8
67.01888	1.6
69.53036	4.3
72.11855	0.7
92.50832	0.7
94.19315	0.8
95.05040	0.7
99.92559	5.0
110.02480	1.8
111.00893	1.6
115.92090	1.3
148.49628	0.8
197.19084	3.1
197.90642	2.6
201.14925	2.1
225.14893	0.8
225.18465	1.9
241.18159	0.9
242.86989	0.8
243.02940	1.2
243.06561	3.4
243.15862	2.8
243.19620	100.0
243.89905	2.1
244.19998	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	243.1237
Annotation	9-Hydroxyhexylitaconic acid
Peak:m/z	Relative Intensity
59.01380	100.0
91.53217	1.6
98.20702	3.0
110.02456	4.3
111.00887	2.2
139.11301	23.1
145.07712	2.1
155.07169	3.0
155.10759	7.5
163.11264	2.9
178.30981	1.7
181.12343	54.3
181.13962	2.8
182.12686	2.7
183.10255	96.6
184.10678	2.9
199.07561	2.5
199.13403	7.4
215.07156	3.2
225.11346	8.0
231.10185	1.7
243.02983	2.2
243.06738	11.3
243.12379	78.2
244.12669	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	243.066
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02490	0.5
60.47396	0.5
61.98825	0.8
67.01883	0.6
69.03455	27.9
70.03769	0.8
70.65644	1.1
70.65992	0.9
73.88589	0.5
75.11364	0.5
79.01884	17.0
81.03466	1.4
85.02949	0.8
90.18874	0.5
91.43592	0.5
95.01382	6.8
97.02948	17.2
99.92579	1.2
107.01387	22.5
108.02171	60.7
109.03066	2.8
110.02481	0.8
112.98076	0.5
113.02484	0.6
120.97222	0.5
121.02956	2.5
123.00885	7.3
125.02441	20.4
135.00882	61.8
136.01205	2.2
137.02449	3.3
151.00415	1.5
152.01146	100.0
153.01488	2.6
174.03151	0.8
197.06058	4.8
206.02284	0.9
214.13327	0.6
215.07156	2.5
243.06575	14.9
243.10329	1.1
243.16069	0.8
244.06851	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1237
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
57.03447	1.2
58.57539	0.9
59.01367	2.9
67.17812	0.7
69.27898	3.3
69.28320	3.2
71.01375	2.1
71.05029	4.6
73.02943	1.1
76.05802	1.0
83.05029	1.7
87.48076	0.7
97.02945	6.4
97.06577	1.9
99.00880	27.8
109.06577	2.2
110.02497	1.6
110.03730	1.7
111.04496	0.8
123.08163	1.5
125.09698	8.5
127.11253	1.3
135.08247	1.4
136.05290	2.5
142.02708	2.9
155.14386	2.9
163.11295	10.1
179.10863	0.8
181.12332	29.9
182.12634	1.3
199.13379	27.3
201.11272	1.5
207.10245	54.2
208.10587	2.4
210.35451	0.8
225.11304	100.0
226.11703	4.6
243.06593	3.7
243.12355	99.6
244.12717	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	243.0661
Annotation	2,3,5,7-Tetrahydroxy-9,10-dihydrophenanthrene
Peak:m/z	Relative Intensity
51.91269	0.3
59.01343	0.5
61.98824	1.8
63.10068	0.3
64.15516	0.3
71.01362	0.3
71.51252	0.5
95.01376	1.1
110.02446	0.4
111.30799	0.3
117.07095	0.3
129.07129	3.6
130.04230	1.4
131.05064	0.4
141.07098	0.5
143.04971	0.6
143.08626	1.1
145.02907	0.4
145.06580	0.5
148.01643	1.8
149.35358	0.3
156.05864	1.4
159.04485	0.7
159.08105	0.9
161.02399	1.3
169.06555	2.1
170.07321	0.8
171.04518	2.2
171.08138	5.8
172.05289	3.9
172.08411	0.5
173.06030	1.0
174.03203	5.7
175.03931	0.3
185.02414	3.6
185.06039	3.6
186.02943	0.4
187.07634	11.4
188.08046	0.5
189.01930	0.5
189.09166	0.9
197.06068	8.8
198.03210	0.4
198.06429	0.3
199.03976	5.9
199.07620	0.4
200.04768	9.7
213.05600	1.2
214.06351	4.7
215.07108	100.0
216.07492	5.4
225.11369	0.4
243.06610	19.0
244.06938	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	243.0623
Annotation	Uridine
Peak:m/z	Relative Intensity
55.01860	1.2
59.01374	3.6
59.23124	0.9
60.40436	0.8
66.03494	13.5
68.01409	2.8
68.63456	0.8
70.97065	1.1
70.97385	1.0
71.01382	3.0
82.02987	30.5
83.01411	1.2
84.04512	0.9
87.37801	1.2
88.84415	0.9
89.05048	1.2
94.02988	2.5
96.04559	1.6
98.06147	0.9
106.68108	1.0
108.04549	1.7
110.02488	100.0
111.00822	0.9
111.02015	6.4
111.02793	2.1
114.27484	0.8
119.60509	0.8
122.02467	6.5
124.04068	2.8
126.05561	0.9
138.02065	1.0
140.03542	9.7
152.03552	17.9
153.03067	6.9
173.00880	1.0
182.04561	1.8
200.05649	35.5
201.05983	1.5
233.60742	1.0
243.03706	1.3
243.06224	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	241.2172
Annotation	Pentadecylic acid
Peak:m/z	Relative Intensity
53.58572	0.2
56.23768	0.2
61.98814	0.4
70.98449	0.5
82.69534	0.2
85.80763	0.2
103.91998	0.3
118.91780	0.3
125.02418	0.2
204.97729	0.3
222.98824	0.4
234.39200	0.2
240.99847	0.3
241.21712	100.0
242.22055	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	243.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.2
60.02568	0.7
70.50103	2.2
83.05022	2.0
87.00874	100.0
88.01217	1.8
93.03451	6.4
109.02908	1.0
110.02481	2.8
110.57820	0.7
111.00843	0.8
111.04520	9.3
132.09108	0.8
137.02490	3.8
141.66695	0.9
153.00462	0.8
155.03468	1.4
183.01367	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	241.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.9
61.91327	0.8
69.03480	0.7
70.76112	1.7
83.05029	4.0
95.05045	1.0
97.06584	11.4
109.06617	0.9
111.08159	9.3
137.09698	1.0
147.11765	1.7
163.11270	3.5
165.12837	100.0
166.13177	4.7
197.15465	18.4
198.15912	1.3
209.11804	4.0
233.73915	0.7
241.14566	1.2
241.18080	3.6
241.21689	1.4
255.23431	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	241.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58287	1.9
57.03444	2.8
59.01372	2.8
61.98823	9.6
69.03450	1.7
70.36512	6.5
73.71564	1.9
83.05009	4.9
95.05055	2.3
97.06585	11.1
103.91996	2.6
108.02146	6.0
109.02907	2.3
111.08155	12.0
123.04526	1.6
163.11270	3.2
163.65862	1.7
165.12843	100.0
166.13191	5.9
170.71935	1.7
197.15466	23.8
209.11807	5.1
211.25102	1.8
213.91666	2.0
223.13423	4.3
226.06561	2.5
241.04971	4.8
241.07101	3.0
241.10796	2.1
241.14574	8.8
241.18124	14.5
241.21828	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	239.1288
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
59.01371	2.0
62.21507	0.6
70.77648	1.2
72.65047	0.6
95.05051	0.9
101.06081	8.6
109.06591	5.5
111.08155	5.6
115.84241	0.6
125.09737	0.9
138.06889	1.3
139.04013	14.2
143.82002	0.7
154.06357	31.2
167.14415	10.4
179.05591	1.7
179.10774	5.0
182.05836	2.8
195.13895	100.0
196.14293	4.2
210.83508	0.6
239.12831	6.4
239.16460	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0596
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.2
59.96711	0.6
60.61518	0.2
70.50295	0.6
74.99071	12.8
75.96197	0.4
75.99024	0.3
85.02943	0.6
87.00880	0.7
91.02206	10.1
93.00127	2.2
131.76495	0.2
136.71288	0.2
149.00937	4.9
152.82791	0.2
161.04549	0.7
179.05598	2.6
206.99696	3.0
223.02826	100.0
224.02888	5.9
239.06015	0.7
239.12846	0.6
241.03929	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.16244	2.3
65.35936	2.2
68.56367	2.4
69.70231	2.6
70.96983	5.6
71.01360	12.0
73.02970	2.7
85.02957	6.7
87.00885	25.0
89.02467	10.5
99.00880	6.6
101.02467	8.2
103.15393	2.4
105.01936	3.3
117.01927	6.1
133.58511	2.5
136.37650	2.4
161.04588	22.1
165.04062	9.2
179.05618	97.6
180.06049	4.4
239.07625	3.6
239.58766	2.6
254.24902	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	237.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.5
59.01383	4.2
61.29118	0.7
62.07376	0.5
70.14515	1.5
70.39982	0.5
71.01382	3.2
75.00874	12.5
78.41916	0.5
85.02951	3.1
87.00877	100.0
87.35925	0.6
88.01213	1.0
89.02448	1.3
98.20591	0.7
101.02421	1.4
113.02475	0.6
115.00359	0.8
119.03477	0.7
129.01952	17.1
132.92749	0.5
136.94034	0.9
136.98584	0.8
138.93767	0.8
153.91383	0.6
154.90604	1.7
178.95030	0.7
192.88347	0.5
230.85544	0.6
237.06133	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1496
Annotation	OPC-4:0
Peak:m/z	Relative Intensity
55.01873	7.0
57.03447	4.2
59.01382	75.6
61.72959	2.5
61.98829	13.4
68.01420	3.1
69.03450	29.7
70.97552	6.1
71.01373	10.4
73.02915	3.8
74.99711	2.3
75.48008	3.1
83.05052	3.7
85.02934	5.4
87.04530	3.3
95.01376	4.0
97.06593	54.5
101.02435	8.5
109.02953	2.8
113.02418	4.1
118.03010	2.8
121.02908	2.8
121.06542	2.8
121.10246	10.9
123.00916	3.7
123.08168	60.6
135.04539	3.0
139.07637	10.0
146.39450	2.7
147.11794	10.7
159.08160	3.6
161.09732	5.8
164.89398	2.9
165.01859	3.7
167.07130	9.1
175.14896	9.9
178.09857	3.4
179.10741	21.7
179.79332	2.7
193.12350	4.4
193.15977	6.3
194.57587	2.5
217.45815	3.0
219.13820	9.4
237.00484	3.3
237.03923	5.6
237.07687	6.4
237.11418	6.2
237.14952	100.0
238.15123	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	237.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.5
59.01383	4.2
61.29118	0.7
62.07376	0.5
70.14515	1.5
70.39982	0.5
71.01382	3.2
75.00874	12.5
78.41916	0.5
85.02951	3.1
87.00877	100.0
87.35925	0.6
88.01213	1.0
89.02448	1.3
98.20591	0.7
101.02421	1.4
113.02475	0.6
115.00359	0.8
119.03477	0.7
129.01952	17.1
132.92749	0.5
136.94034	0.9
136.98584	0.8
138.93767	0.8
153.91383	0.6
154.90604	1.7
178.95030	0.7
192.88347	0.5
230.85544	0.6
237.06133	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
69.01388	0.9
69.29153	3.1
69.29575	3.3
71.01017	1.3
71.01384	19.6
93.03465	1.0
98.19911	1.4
115.00371	8.5
121.02955	100.0
122.03265	3.3
135.04544	2.1
144.92117	0.9
170.92859	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0617
Annotation	Ketodeoxyoctonic acid
Peak:m/z	Relative Intensity
57.03438	2.5
59.01383	4.2
61.29118	0.7
62.07376	0.5
70.14515	1.5
70.39982	0.5
71.01382	3.2
75.00874	12.5
78.41916	0.5
85.02951	3.1
87.00877	100.0
87.35925	0.6
88.01213	1.0
89.02448	1.3
98.20591	0.7
101.02421	1.4
113.02475	0.6
115.00359	0.8
119.03477	0.7
129.01952	17.1
132.92749	0.5
136.94034	0.9
136.98584	0.8
138.93767	0.8
153.91383	0.6
154.90604	1.7
178.95030	0.7
192.88347	0.5
230.85544	0.6
237.06133	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0404
Annotation	3,4-Bis(methoxycarbonyl)benzoic acid
Peak:m/z	Relative Intensity
65.03979	1.2
68.51906	0.8
69.35000	0.7
69.68714	3.7
71.01379	13.2
91.05531	12.9
93.03459	9.0
107.05035	1.2
109.02949	3.0
115.00384	4.1
119.05025	0.8
121.02957	25.2
122.03771	5.7
123.04533	1.0
123.97882	0.9
133.01431	2.0
134.03748	8.2
135.04526	100.0
136.04846	3.4
137.02423	2.4
139.04054	3.6
147.04536	11.1
149.02438	10.7
149.06113	3.7
161.02460	1.0
166.02638	1.4
175.03999	7.3
178.02705	5.0
179.03482	6.2
181.05067	9.8
193.05049	69.1
194.05319	3.8
209.04535	11.3
222.01581	0.9
237.04018	15.6
237.07767	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	236.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	0.4
71.05507	0.5
91.91042	0.2
94.95365	0.2
125.84903	0.2
134.03802	0.6
135.04570	0.4
136.05334	0.8
142.04272	0.2
144.78239	0.3
148.05296	10.3
148.06461	0.5
149.05841	0.4
149.09753	1.9
162.06877	0.5
175.07690	0.4
176.08447	0.9
177.09218	45.9
178.09578	1.9
190.10033	1.8
191.10744	0.7
192.11572	32.8
193.11969	1.6
194.65506	0.3
201.09306	0.6
203.07164	0.7
217.08699	3.2
218.09483	8.5
219.09863	0.6
236.10548	100.0
237.10916	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	235.0611
Annotation	6-Hydroxymethyleugenin
Peak:m/z	Relative Intensity
62.10442	1.0
70.26022	1.5
70.26355	3.0
84.39078	1.1
161.02446	35.1
173.96704	1.0
174.03177	2.3
176.04785	100.0
177.05101	2.9
189.02000	1.5
189.05614	1.5
191.07140	99.8
192.07491	2.9
201.01988	7.9
202.02623	2.8
215.48569	1.2
217.05060	20.2
220.03737	2.9
235.06111	65.0
236.06361	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	233.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.2
59.96719	0.5
60.97498	0.6
62.26958	0.4
68.77348	0.3
71.19887	0.6
74.99071	9.2
91.02225	1.1
93.00150	1.6
118.96275	1.7
134.99402	8.0
135.00331	0.7
136.97302	1.8
140.68724	0.4
143.05370	1.8
149.00964	79.6
150.00952	2.8
150.98875	1.2
156.62346	0.3
159.08435	2.3
161.06393	3.3
184.00058	0.4
190.60696	0.3
215.05693	1.4
217.07216	100.0
218.07326	6.2
233.10352	92.7
234.10464	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	234.1499
Annotation	Huperzine W
Peak:m/z	Relative Intensity
59.01382	1.7
61.98845	0.4
69.75296	0.3
70.79138	0.3
71.01347	0.3
71.05088	0.3
74.00388	0.3
85.02921	0.4
87.00908	0.3
94.02992	0.3
96.13345	0.3
99.40829	0.3
100.88153	0.3
119.01426	0.3
148.05305	0.3
176.04842	0.4
179.07091	0.5
207.13866	0.8
218.11879	2.5
234.14980	100.0
235.15259	5.3
248.55066	0.3
251.11597	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	233.0453
Annotation	2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-2,4-dienoate
Peak:m/z	Relative Intensity
59.01371	5.7
67.01893	1.7
69.81282	1.2
69.81675	0.9
70.85982	0.4
93.03461	4.0
109.24028	0.4
117.03469	0.8
121.02945	1.6
130.04205	0.6
134.03775	1.0
145.02963	2.6
145.10210	1.0
146.03755	4.6
149.02310	0.6
156.72375	0.4
161.02420	2.7
161.09702	2.7
166.02699	0.6
173.02425	25.7
173.04620	1.0
174.03206	100.0
175.03537	4.3
177.40544	0.4
189.05560	78.6
190.05881	3.7
201.01927	3.8
233.04561	5.3
233.08125	1.0
233.15445	19.9
234.15869	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25848	3.7
54.18804	4.0
57.03428	6.2
59.01378	57.6
67.01880	5.1
70.23500	3.9
71.01376	37.8
71.49030	4.7
72.99272	4.7
73.02940	7.2
75.00851	7.4
82.53050	3.8
83.01379	7.3
84.53937	3.8
85.02942	7.3
87.00874	7.5
93.03447	10.6
99.00869	13.4
101.02412	4.9
104.03532	7.6
111.00864	13.3
114.38544	4.2
115.00336	7.3
118.05093	6.2
129.01941	14.6
132.11024	4.0
173.04459	11.8
188.99713	5.7
189.05547	9.3
215.09268	5.4
233.04700	8.3
233.06647	5.2
233.10254	17.4
233.15428	100.0
233.17757	5.9
234.09766	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	231.16
Annotation	SCHEMBL4748090
Peak:m/z	Relative Intensity
51.87053	0.3
57.03441	1.4
59.01375	0.6
64.80199	0.3
71.01375	0.7
71.50211	0.5
71.50578	0.3
84.11942	0.3
86.73746	0.3
89.79371	0.3
115.07646	0.3
121.79645	0.3
127.11277	2.2
134.03708	0.8
155.14409	0.6
159.04462	0.6
165.94716	0.3
171.10257	4.6
183.13863	0.8
187.03983	1.0
187.07587	0.4
189.04323	0.3
195.13815	0.4
213.09200	0.5
213.14955	5.1
216.00526	0.4
229.14461	3.2
230.99127	0.3
231.15988	100.0
232.16315	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	231.0298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72136	0.4
59.01381	7.0
61.98031	0.4
66.94439	0.4
68.99541	0.5
70.98742	0.6
70.99090	0.9
71.47839	0.5
72.99326	0.7
73.02943	0.5
80.63906	0.4
87.00833	0.5
87.02927	0.4
87.89590	0.5
91.01897	0.5
95.01405	0.7
104.02700	1.8
106.00608	0.7
108.02187	2.4
109.02963	0.4
119.01394	0.8
123.00921	0.5
132.02206	2.3
135.00899	0.7
136.01633	0.7
137.89803	0.9
143.08749	0.5
147.00905	0.8
148.01653	1.8
158.89333	0.6
159.00841	0.9
159.04514	0.8
159.89339	0.5
160.01624	1.7
163.00354	1.9
176.01129	3.1
187.07625	0.8
188.01151	17.5
189.01665	1.1
189.04251	0.6
190.99931	0.7
202.99802	4.1
203.03535	1.2
204.00516	1.2
216.00621	100.0
217.00941	4.2
224.44576	0.4
230.99385	0.7
231.02988	10.9
231.06654	1.3
231.10147	0.8
231.13957	0.9
231.15883	0.6
232.09825	0.7
247.99597	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	229.1444
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03447	0.6
69.99242	0.5
71.50922	0.8
99.92580	1.5
111.01601	0.4
125.06026	0.5
165.12833	1.3
167.14403	40.1
168.14691	1.7
174.03180	1.4
185.15491	1.0
199.21486	0.5
206.02173	0.7
211.13379	62.1
212.13751	3.8
214.02716	1.7
229.05086	1.5
229.08748	2.4
229.14426	100.0
230.14822	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	229.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11311	0.2
58.19189	0.2
64.16065	0.2
67.41898	0.2
69.39924	0.4
69.40325	1.2
107.64426	0.2
108.02171	0.7
116.54472	0.2
117.03510	0.2
121.15557	0.2
124.32669	0.2
130.04225	1.1
134.08893	0.2
145.02946	12.8
146.03754	2.4
149.02435	0.2
167.34119	0.2
169.06604	0.3
173.02428	6.2
174.03204	40.4
175.03540	1.3
178.02684	1.9
183.08130	0.2
185.06090	0.2
185.09744	0.5
187.08138	0.2
206.02180	30.1
207.02519	1.1
211.13342	0.8
213.05582	0.2
214.06274	1.0
229.08675	100.0
230.09001	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	229.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41397	0.4
61.73979	0.3
70.36371	1.4
75.69673	0.4
77.80156	0.4
91.71349	0.3
102.20779	0.4
107.28671	0.4
115.07602	0.3
120.62228	0.3
130.04248	10.0
131.21336	0.3
132.02097	0.4
145.02951	1.7
146.03775	2.4
173.02437	6.6
174.03210	61.0
175.03595	2.0
178.02696	1.0
206.02190	29.4
207.02554	0.7
213.05585	1.0
214.06351	1.8
222.20576	0.3
229.08684	100.0
230.09010	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	229.087
Annotation	Hibiscoquinone C
Peak:m/z	Relative Intensity
59.01353	0.1
60.81973	0.1
65.03959	0.3
67.01880	0.2
69.63467	0.8
79.05558	0.2
82.61399	0.1
91.05567	0.1
98.19898	0.2
104.98201	0.1
105.03441	0.2
108.02200	1.0
109.02951	0.8
117.03465	0.7
118.04248	0.3
121.02957	1.7
122.03749	1.2
123.04516	0.6
130.04253	0.3
130.56573	0.1
131.04947	0.1
131.08684	0.3
132.02151	0.6
133.02957	2.2
133.54988	0.1
141.07088	0.3
142.07861	0.2
143.05026	0.2
144.05754	0.2
145.02972	0.6
146.03728	0.6
149.02454	2.4
155.07576	0.1
155.08601	0.7
157.06586	0.4
157.10237	1.3
159.04503	0.3
159.08153	0.8
161.02441	6.2
162.02852	0.1
163.03975	0.3
171.04539	0.2
173.09674	0.2
174.03221	4.1
175.03751	0.2
183.08058	0.2
185.06104	0.8
185.09743	0.3
186.06859	2.7
187.04018	0.4
187.07281	0.1
191.78333	0.1
199.07594	0.7
201.09210	4.8
202.09534	0.3
202.32558	0.1
206.02209	0.4
211.04034	2.2
212.04550	0.3
213.05550	3.8
214.06340	3.8
227.07144	3.3
228.07809	0.4
229.08687	100.0
230.09033	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	229.0868
Annotation	Demethylsuberosin
Peak:m/z	Relative Intensity
70.26031	1.6
123.04548	0.5
130.04242	10.3
145.02931	1.2
146.03722	2.4
154.90288	0.4
173.02446	5.7
174.03206	42.4
175.03539	1.3
178.02664	1.2
205.75317	0.4
206.02193	18.8
207.02553	0.6
213.05562	1.5
214.06337	1.1
229.08673	100.0
230.09024	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	229.0868
Annotation	Demethylsuberosin
Peak:m/z	Relative Intensity
53.64392	0.2
69.71345	1.3
99.92558	0.2
108.02193	0.6
113.94103	0.2
121.02881	0.2
130.04222	0.8
145.02951	12.5
146.03740	2.6
161.02403	0.6
173.02446	6.9
174.03209	43.3
175.03574	1.4
178.02689	2.1
185.09576	0.5
204.76587	0.3
206.02187	30.1
207.02553	1.2
214.06319	1.3
229.08678	100.0
230.09023	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	227.2017
Annotation	Myristic acid
Peak:m/z	Relative Intensity
50.08299	0.5
70.48249	0.6
71.12807	1.1
79.53420	0.5
136.99844	0.7
140.00027	0.6
183.13904	0.7
227.20166	100.0
228.20445	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	228.0514
Annotation	4-(L-Alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde
Peak:m/z	Relative Intensity
59.01376	2.2
63.23879	1.0
69.50479	7.4
71.01373	2.1
80.05030	2.4
84.88711	1.0
92.05054	8.5
94.06627	23.1
96.04565	1.2
96.20284	1.0
97.02981	1.0
98.20638	1.5
101.54861	1.0
101.84789	1.0
106.58087	1.0
107.03807	5.3
108.04583	2.3
112.04061	1.3
120.04521	2.6
122.06128	100.0
123.06434	2.5
125.02470	1.5
130.49213	1.1
135.04477	1.3
138.05597	4.1
140.07135	3.5
143.11896	1.5
153.01949	2.0
156.00824	1.1
166.05098	61.4
167.05389	1.3
184.06105	9.2
184.14340	1.1
210.04083	4.2
228.02933	1.5
228.05124	23.6
229.03476	1.3
229.05418	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1288
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
57.03434	0.4
69.88701	0.2
70.93904	0.3
70.94247	0.3
71.42594	0.2
73.66125	0.2
86.39350	0.2
98.57598	0.2
104.35992	0.2
111.08166	1.1
124.49014	0.2
165.12837	19.5
166.13206	0.7
174.36922	0.2
181.12315	0.3
183.13884	100.0
184.14230	5.0
209.11810	1.8
212.75789	0.2
227.12871	15.2
228.13182	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79383	0.5
69.16163	4.9
71.81059	0.4
87.62970	0.4
109.33111	0.5
109.86709	0.5
111.08130	0.9
124.61042	0.5
143.16913	0.5
145.81210	0.4
165.12848	19.3
166.13185	0.5
172.28825	0.5
183.13892	100.0
184.14246	3.7
209.11848	1.6
227.12872	15.5
228.13211	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.4
59.01365	0.3
63.12969	0.4
69.38811	1.4
69.39239	1.0
72.68982	0.3
87.84717	0.3
98.20666	0.6
111.08159	1.3
142.13510	0.4
165.12840	19.2
166.13205	0.5
181.12450	0.3
183.13893	100.0
184.14227	3.6
209.11829	5.5
211.04036	0.7
227.07172	0.7
227.12877	15.1
227.20137	1.1
228.13191	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1289
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
52.11438	0.6
57.03424	0.9
61.98830	0.7
65.00278	0.7
69.83196	1.3
69.83594	2.0
78.47710	0.6
95.01386	1.5
99.92606	0.8
108.02162	2.6
111.08158	1.7
136.01646	2.6
139.11223	0.8
139.87529	0.6
165.12840	19.3
166.13165	1.0
170.76595	0.7
183.13895	100.0
184.14226	4.3
206.96222	0.7
209.11827	2.4
211.03952	4.4
227.07137	10.2
227.12865	17.3
227.16476	1.5
227.20169	3.5
228.13101	1.4
229.08661	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	227.0926
Annotation	Decarestrictin E
Peak:m/z	Relative Intensity
51.97586	0.3
56.99023	0.3
69.86709	0.3
71.01379	1.8
72.99312	100.0
73.99652	0.8
75.00874	2.6
79.95721	0.4
97.02942	0.5
104.36697	0.3
107.05037	0.3
109.02937	0.4
112.84669	0.3
115.99744	0.4
122.03713	0.9
134.03781	0.4
135.04544	1.8
136.05273	0.3
137.06081	0.6
138.06850	1.4
139.07671	2.3
149.06053	0.4
150.47247	0.3
151.07668	3.7
152.08426	3.5
153.09175	1.5
165.09203	4.7
167.07108	0.6
179.03470	1.2
183.13892	1.4
209.08234	2.9
215.84660	0.3
219.56297	0.3
227.09245	33.1
227.20229	0.8
228.09642	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	227.0925
Annotation	Loganetin
Peak:m/z	Relative Intensity
54.02970	1.0
57.03448	6.2
59.01394	1.3
59.57396	1.2
68.61948	1.2
69.03461	1.7
69.72492	6.2
71.01356	1.5
74.60703	1.0
79.05536	4.2
80.02693	1.7
81.03542	1.1
83.01385	3.9
84.02162	3.2
85.02946	15.5
95.01382	1.5
95.05022	8.2
96.02215	1.5
97.06588	32.1
98.03738	9.5
98.19987	2.3
102.32115	1.2
105.07133	1.9
107.05029	6.8
108.02163	1.8
111.00877	5.1
111.08161	9.7
119.08681	1.2
121.06602	6.3
123.04510	20.7
123.05373	1.4
123.08181	1.9
124.01681	1.7
124.05306	2.3
125.06078	3.9
125.09683	1.4
129.01947	18.7
129.50270	1.3
134.03741	2.9
135.08148	2.3
137.06102	1.5
137.09718	1.8
137.16797	1.2
139.07643	92.1
140.07999	1.5
148.00024	1.1
149.06076	29.9
150.06412	1.4
151.07564	1.2
153.09195	3.7
163.07594	2.7
167.07132	100.0
168.07451	2.2
181.08667	2.5
181.58301	1.2
183.13879	3.0
191.07103	2.1
209.08154	8.5
227.09262	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	227.0714
Annotation	Benzophenone-3
Peak:m/z	Relative Intensity
54.36126	0.3
64.48122	0.3
65.00346	0.4
69.42777	0.8
69.43187	1.8
86.99696	0.4
98.32523	0.3
111.08216	0.5
129.07124	0.6
165.12891	2.2
167.05032	0.8
181.06592	0.7
183.04509	2.6
183.13905	11.9
184.14333	0.5
185.06042	0.7
187.03949	0.5
190.55490	0.4
197.06099	0.6
199.07631	1.3
208.93307	0.4
209.11761	0.6
211.04004	100.0
212.04506	8.3
225.05573	3.9
227.07133	97.4
227.12871	2.4
227.20134	1.6
228.07454	5.4
229.75900	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0713
Annotation	3,4-Dihydro-8,9-dihydroxy-1(2H)-anthracenone
Peak:m/z	Relative Intensity
59.89655	0.3
70.88509	0.5
88.62268	0.3
106.45114	0.4
123.45490	0.3
129.07091	0.8
157.06519	0.4
165.12788	0.5
167.05040	1.4
168.05870	0.5
181.06580	1.1
183.04500	2.5
183.08109	0.5
183.13902	2.9
187.04001	0.3
197.06046	0.8
199.07635	1.2
205.76416	0.3
209.11803	1.8
211.03984	100.0
212.04521	6.8
225.05557	3.9
227.07114	83.0
227.12949	1.3
227.20131	0.8
228.07446	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	227.0713
Annotation	3,4-Dihydro-8,9-dihydroxy-1(2H)-anthracenone
Peak:m/z	Relative Intensity
54.71049	0.3
55.68243	0.2
65.00320	0.3
70.65819	0.8
79.10282	0.2
89.72932	0.3
111.00844	0.3
116.24108	0.3
129.07100	0.6
139.11273	0.3
165.12804	1.4
167.04984	1.2
181.06606	0.9
183.04486	2.4
183.08202	0.5
183.13887	5.7
185.06001	0.5
187.85535	0.3
189.43970	0.3
197.06042	0.8
199.07544	1.4
199.13387	0.5
209.11769	1.0
211.03992	100.0
212.04475	6.3
225.05540	3.4
227.07120	97.9
227.12778	2.5
227.20032	1.7
228.07431	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	227.0714
Annotation	Resveratrol
Peak:m/z	Relative Intensity
50.30730	0.3
60.52736	0.3
69.13660	0.5
69.14069	1.9
71.05003	0.3
76.66852	0.2
77.31670	0.2
79.05528	2.2
90.10750	0.2
91.01867	0.3
93.03434	0.4
99.94136	0.2
104.81580	0.3
107.05022	3.9
111.04612	0.2
129.07104	3.1
130.04242	1.0
139.05594	0.6
139.11290	0.8
143.08672	0.5
155.08653	1.0
156.05728	0.4
157.06586	5.4
158.06898	0.4
165.12837	1.1
167.04962	0.6
168.05840	0.6
170.07318	0.5
171.08150	0.6
181.06583	3.6
182.07350	1.1
183.04619	0.6
183.08142	19.6
183.13893	5.0
184.05260	0.4
184.08467	1.0
185.06085	0.4
187.03992	0.8
197.06044	1.3
199.07642	7.7
199.13397	0.4
200.07983	0.4
209.06026	1.1
209.11780	1.1
211.04056	1.7
212.04724	1.0
225.05759	0.3
227.07137	100.0
227.12921	2.4
227.20139	1.2
228.07449	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	227.0712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21543	0.2
56.54009	0.2
58.01162	0.2
60.87368	0.2
69.38291	1.6
79.28053	0.2
112.50809	0.2
129.07121	0.5
157.06607	0.5
167.05011	1.1
168.05829	0.4
181.06580	0.9
183.04462	2.3
183.08142	0.5
183.13924	1.1
184.05138	0.3
185.06053	0.3
187.04030	0.4
197.06087	0.7
198.03532	0.2
199.07608	1.1
209.06010	0.4
209.11679	0.3
211.03992	100.0
212.04475	6.9
225.05565	4.0
227.07121	98.8
228.07458	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	227.0711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30816	0.3
57.15869	0.2
69.29748	1.9
77.44573	0.2
78.99271	0.2
81.83278	0.2
117.19437	0.2
130.04237	0.3
143.08698	0.3
157.06613	0.4
167.05028	1.4
168.05768	0.3
181.06532	1.3
183.04507	2.7
183.08199	0.3
183.13864	1.9
184.05226	0.4
185.06062	0.4
187.03979	0.6
197.06061	0.9
199.03990	0.3
199.07552	1.6
209.06119	0.4
209.11726	0.3
211.03996	100.0
212.04510	7.6
225.05553	4.3
227.07126	98.0
227.20097	0.6
228.07478	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	225.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.2
59.52371	0.8
61.98827	1.7
62.70048	0.6
69.15640	5.5
73.02945	23.8
80.44850	0.7
93.03455	1.2
95.05024	1.5
109.06591	1.3
113.06036	0.7
123.00759	0.6
137.02428	1.1
138.33147	0.8
141.30182	0.8
162.20953	0.6
163.11267	9.6
164.11708	0.8
178.83379	1.2
181.12334	100.0
182.12640	4.1
206.99347	1.1
207.10355	3.4
207.11967	0.9
224.90527	1.1
225.00415	1.6
225.07741	0.9
225.11327	7.4
225.14798	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	225.0558
Annotation	Dithranol
Peak:m/z	Relative Intensity
51.39029	0.2
51.58537	0.2
51.81738	0.2
59.01382	0.3
61.98833	8.0
65.00320	0.4
70.40976	0.6
85.85938	0.2
93.03450	1.3
94.30576	0.2
97.02985	0.4
113.49598	0.2
117.42341	0.2
121.03021	0.2
123.04523	0.2
126.90530	0.6
136.98824	0.4
137.02426	0.7
138.01938	0.2
141.07089	0.3
153.07095	0.6
159.08199	0.4
160.28883	0.2
169.06589	5.7
178.83476	1.5
180.04378	0.3
180.05798	1.1
181.06592	15.4
181.12396	0.4
181.15955	0.2
182.03688	0.3
182.06917	1.0
187.07677	1.5
195.03085	0.5
195.06607	0.2
196.05249	0.5
197.06093	8.3
198.06395	0.3
206.99368	0.6
207.10349	0.3
210.03258	0.6
210.05266	0.3
224.04776	0.4
225.05580	100.0
225.15010	0.8
225.92685	2.2
226.05922	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	225.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32256	0.6
58.27556	0.6
59.01366	2.5
61.98821	1.5
66.53407	0.6
71.01349	0.6
71.05000	0.9
71.50624	0.7
71.51105	0.6
75.45964	0.6
81.03440	0.8
83.05021	1.3
93.03439	3.9
94.93638	0.8
95.51564	0.7
97.02947	10.8
97.06548	0.7
99.00882	3.5
109.02937	1.2
109.06578	4.5
110.03728	5.3
123.04507	1.5
125.09692	1.4
126.90495	2.0
135.08176	1.5
136.05270	2.0
136.98715	0.7
137.02431	1.7
142.02707	7.1
153.01999	0.8
161.09735	1.1
163.11276	13.4
165.05568	0.8
178.83356	1.4
179.10750	1.3
180.04236	0.7
181.12334	29.3
182.12675	1.2
195.02937	0.6
197.11824	1.6
201.91495	0.6
206.99408	1.1
207.10245	74.9
208.10562	3.2
210.05338	1.2
224.90569	1.9
224.95779	0.6
225.00459	1.6
225.05441	1.8
225.11298	100.0
226.05498	0.7
226.11665	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	223.1339
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
57.03435	1.2
59.01373	7.5
61.98826	12.4
69.03456	8.2
70.69180	1.1
70.69515	1.5
71.05008	1.7
71.18114	0.7
73.79290	0.9
74.99059	1.8
80.61974	0.8
83.05015	1.1
85.06575	1.4
86.00470	0.8
93.03423	0.8
95.05009	1.6
109.06554	1.2
125.09706	0.9
135.11784	1.0
141.09203	1.1
141.86839	0.9
149.00940	1.3
149.09740	2.3
151.04019	2.1
152.38930	0.8
157.93060	0.7
161.13295	1.5
166.06355	5.1
167.10762	9.8
176.83716	2.4
177.12885	2.1
178.99606	0.9
179.03395	0.9
179.10785	4.8
179.14388	10.5
193.01376	0.9
195.13885	35.2
196.14244	1.1
196.59891	0.8
205.12299	22.0
208.03712	1.4
223.02792	11.9
223.13379	100.0
224.02628	0.9
224.13612	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	223.0611
Annotation	cis-sinapic acid
Peak:m/z	Relative Intensity
65.00316	1.0
67.01885	0.6
69.42165	2.5
69.42571	0.9
84.24255	0.5
86.65014	0.5
89.03969	1.4
93.03460	7.0
102.36756	0.5
117.03473	1.7
119.05022	1.2
121.02953	37.4
122.03330	1.0
123.10568	0.5
132.02173	2.3
135.04517	4.8
136.01593	0.5
137.02435	1.0
145.36720	0.5
147.04518	4.6
149.02437	100.0
150.02771	3.2
152.01166	6.6
163.04027	7.1
164.04790	58.0
165.01958	3.8
165.05124	2.3
167.03477	1.0
169.05064	2.2
179.07133	6.1
180.04182	0.6
193.01405	22.8
194.01682	0.9
208.03757	31.9
209.04028	0.8
223.06100	32.5
224.06392	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26539	0.8
55.01877	6.3
57.03445	20.5
58.52524	0.8
59.01379	12.2
67.01888	1.1
68.99832	1.8
69.11486	0.7
69.68905	4.7
71.01377	14.3
72.99304	6.0
73.02950	3.5
75.00869	6.6
83.01382	11.6
84.02155	2.4
85.02946	100.0
86.03296	1.3
87.00871	3.8
93.03450	3.1
98.20620	1.6
101.02441	14.7
103.00343	1.5
103.03991	1.7
111.00878	50.7
119.24001	0.8
121.02960	14.5
125.02437	1.0
129.01942	29.5
132.02080	0.8
135.04482	2.2
143.03517	1.7
147.02977	6.0
147.04541	2.4
149.02432	40.9
152.01123	2.7
161.04515	2.8
163.03976	3.0
164.04787	24.9
165.01881	2.3
169.05037	1.6
179.07065	4.8
187.02434	3.1
193.01416	10.7
205.03514	39.2
206.03856	1.0
208.03740	17.8
223.04539	31.0
223.06207	8.8
224.81436	0.8
227.06418	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.2
57.03453	13.7
59.01378	8.3
67.01892	1.4
68.99805	1.9
70.63036	0.8
71.01362	11.5
72.99302	5.2
73.02544	0.8
73.02943	2.6
75.00870	4.7
83.01376	8.5
84.02168	1.3
85.02948	82.1
86.03263	1.9
87.00890	4.1
91.05535	1.2
93.03443	6.5
101.02441	9.5
103.00358	1.2
103.03996	1.9
111.00878	40.3
117.03441	1.8
119.05034	1.2
121.02954	36.8
122.03322	1.2
129.01939	21.1
132.02191	1.3
135.04533	5.1
147.02986	5.0
147.04506	4.0
149.02434	100.0
150.02794	3.1
151.04015	1.1
152.01186	5.3
161.04610	1.5
163.04012	6.6
164.04788	65.4
165.01924	3.4
165.05118	1.7
167.03505	1.0
169.05109	3.1
179.07133	6.8
187.02486	2.8
193.01413	22.5
205.03513	31.7
206.03844	1.1
208.03755	33.3
209.04057	1.3
223.04514	22.2
223.06171	24.3
224.06575	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0282
Annotation	Foetisulfide A
Peak:m/z	Relative Intensity
59.01368	0.1
59.96722	1.2
61.98829	1.4
68.93219	0.2
71.50249	0.3
74.99071	20.5
75.96236	0.9
75.99034	0.4
77.97662	0.2
93.00136	4.5
127.22836	0.2
149.00955	12.6
150.01001	0.4
150.98885	0.5
176.83745	0.4
201.53966	0.1
206.99695	6.1
207.99854	0.4
208.97565	0.2
223.02829	100.0
223.13463	0.6
224.02873	7.4
225.00697	0.2
241.03809	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	221.0665
Annotation	6-Acetyl-D-glucose
Peak:m/z	Relative Intensity
56.68206	7.7
59.01376	100.0
62.78236	6.9
69.36321	5.8
69.36460	11.7
69.36884	44.9
71.01382	42.4
73.02950	45.0
75.00888	14.9
76.55286	6.4
83.01384	13.3
85.02946	23.9
89.02450	15.9
101.02443	25.9
113.02453	91.7
131.03497	23.2
131.27031	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	221.1547
Annotation	Kobusone
Peak:m/z	Relative Intensity
69.18587	1.5
73.47999	0.2
91.49340	0.2
98.20711	0.2
127.07655	0.7
138.61009	0.2
148.05299	0.3
149.06082	0.3
151.07663	0.3
164.08411	1.8
165.09111	0.2
205.12303	1.6
206.12672	1.2
207.13905	0.7
220.14713	4.0
221.15459	100.0
222.15799	5.7
235.13351	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0665
Annotation	6-Acetyl-D-glucose
Peak:m/z	Relative Intensity
56.73037	2.9
59.01380	100.0
60.28640	2.9
62.72822	2.7
71.01376	23.6
71.48960	4.0
72.99290	12.2
73.02946	9.1
75.00879	5.0
76.47731	3.0
83.01386	5.1
85.02943	18.2
87.00871	12.4
89.02438	6.5
101.02435	19.7
109.80141	3.1
113.02434	6.1
115.00354	5.6
129.01945	5.0
131.03500	5.2
133.01372	4.0
159.04401	3.9
161.02449	4.0
161.04483	10.8
162.03201	4.2
173.89925	3.2
177.05603	7.4
190.74899	3.1
221.01239	5.7
221.04565	11.8
221.06641	12.4
243.52930	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0453
Annotation	Sphagnum acid
Peak:m/z	Relative Intensity
53.31796	0.4
57.51946	0.3
58.88065	0.3
59.01374	7.0
80.08046	0.3
81.40756	0.4
92.75889	0.4
102.04783	0.5
103.05506	2.3
108.16157	0.3
111.39626	0.4
118.37636	0.4
118.84566	0.4
123.04507	0.6
126.60108	0.5
130.04242	11.0
131.05016	0.9
133.02939	3.7
134.50374	0.4
140.12196	0.4
149.06081	4.8
152.12630	0.4
159.04501	100.0
160.04842	3.7
161.02432	5.6
174.02190	0.4
175.04002	0.8
177.05518	1.0
203.03493	16.3
203.72469	0.5
204.03722	0.5
221.04619	2.5
221.11638	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.6
61.98826	0.8
64.83867	0.6
68.99826	0.9
69.16227	5.1
78.16792	0.6
91.05542	1.0
109.68895	0.5
117.03491	3.3
119.05006	0.9
120.08210	1.3
123.04491	1.5
131.05011	1.7
133.02971	10.1
137.06049	2.0
145.02948	4.9
147.04514	7.2
161.02451	64.8
162.02751	2.4
163.04021	2.3
173.02419	1.4
175.04010	21.2
176.04364	0.8
176.10774	0.9
189.01941	42.1
190.02261	1.5
190.99826	0.7
191.03514	10.6
201.01970	6.9
202.02231	0.7
217.01424	7.9
219.02985	100.0
219.17514	4.2
220.03271	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	219.0299
Annotation	Buntansin
Peak:m/z	Relative Intensity
52.31902	0.3
59.01385	0.6
61.45983	0.4
61.98830	0.7
66.20925	0.4
67.01911	0.7
70.91247	0.8
71.01408	0.5
73.71206	0.3
75.00845	0.7
79.01923	0.4
85.02969	0.4
91.05532	3.6
101.03979	1.2
102.04770	0.6
103.05538	4.7
105.03452	0.8
107.05029	0.9
108.82040	0.4
119.05031	6.1
121.02939	1.1
123.04517	0.5
130.04230	3.3
131.05023	1.8
133.02986	0.6
135.04543	0.6
137.02434	1.2
137.06070	4.8
145.02924	1.6
146.03712	1.2
147.04514	100.0
148.01671	1.5
148.04829	3.2
149.06050	1.2
157.02931	0.5
159.04529	0.4
161.02415	0.4
163.07620	1.2
174.03273	2.7
175.03992	40.1
176.01195	2.8
176.02507	0.5
176.04219	2.0
189.01935	0.4
190.02649	0.4
191.03505	2.9
191.10664	0.4
201.09219	0.5
204.00655	0.4
204.04312	0.5
219.02963	8.5
219.06633	1.2
219.10323	1.9
219.13998	0.8
219.17516	17.3
220.17821	0.9
234.50964	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28740	0.2
59.01377	1.0
61.98824	4.3
63.72421	0.2
65.00321	0.4
67.86745	0.2
68.99813	0.2
70.63908	0.6
71.36252	0.2
75.00880	0.3
83.05035	0.3
84.85808	0.2
91.01883	1.2
95.01386	1.1
103.05540	0.2
104.02680	5.4
110.35126	0.2
119.01396	1.8
120.02176	0.9
123.00896	0.9
133.03018	0.2
145.05150	0.2
147.00862	1.8
147.04466	0.5
148.01657	20.7
149.02039	0.6
159.00853	0.4
159.04500	1.5
160.98741	0.2
161.01263	0.2
161.02380	1.1
163.00360	2.6
172.88354	0.8
175.00388	0.3
175.03973	1.0
175.07619	0.3
176.01135	100.0
177.01491	3.8
187.04001	2.1
189.01956	0.7
190.05049	0.2
190.99904	5.0
191.03490	52.8
192.00615	0.6
192.03799	2.0
202.99921	0.4
204.00592	2.2
204.04253	0.2
218.99364	3.4
219.02963	33.3
219.10292	0.7
219.17523	9.8
219.84406	0.2
220.03278	1.4
220.06203	0.3
220.17885	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0297
Annotation	Buntansin
Peak:m/z	Relative Intensity
61.95891	0.5
62.72971	0.5
65.00332	0.6
70.35252	1.9
75.00887	0.6
91.05496	0.8
98.19866	0.6
103.05544	4.8
105.03422	1.3
109.02961	0.7
110.74770	0.5
117.03474	1.7
119.05036	6.0
123.04535	2.6
131.05127	1.2
133.02945	7.2
133.06932	3.3
137.06078	1.6
145.02966	3.2
146.03677	0.9
147.04510	22.5
148.01648	0.7
148.04819	1.1
153.09163	0.7
161.02434	50.0
162.02742	0.9
163.03987	1.7
171.81219	0.6
173.02408	2.0
175.03992	15.2
175.07535	0.6
176.01147	1.6
176.04314	1.0
189.01920	33.2
190.02287	1.5
190.05124	0.6
191.03493	41.7
192.03835	1.5
201.01939	5.2
217.01393	6.2
219.02977	100.0
219.06546	2.5
219.12369	2.5
219.17523	11.3
220.03357	4.0
231.24222	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.03
Annotation	Buntansin
Peak:m/z	Relative Intensity
52.92261	0.2
64.81248	0.2
65.00315	0.3
65.72326	0.2
69.55454	0.4
69.55862	0.7
71.66251	0.2
81.34078	0.2
91.05553	1.2
103.05547	0.4
119.05086	0.4
130.04253	0.3
131.05032	2.3
133.02979	0.6
137.06108	2.8
138.01944	0.4
139.02333	1.3
147.04529	12.3
148.04915	0.3
174.03256	0.5
175.04008	100.0
176.04356	4.0
189.05661	0.3
193.26057	0.2
201.02014	0.3
219.03011	3.9
219.06586	0.4
219.10214	0.3
219.17517	2.4
227.64330	0.2
232.22258	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1032
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
59.01377	2.7
69.17577	5.7
71.01377	12.3
71.05017	20.0
72.00914	0.8
76.78523	0.5
88.04038	100.0
89.04385	0.9
99.04506	5.5
108.73846	0.6
116.03492	0.8
116.07174	3.8
129.05566	1.3
146.08223	50.5
147.04436	1.0
147.08559	1.0
163.43604	0.6
217.19722	0.5
218.10323	20.3
219.02750	0.6
219.10489	0.6
219.17607	2.0
230.59329	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
60.01698	0.8
71.05844	1.2
90.97133	2.0
98.28321	0.6
112.27596	0.7
118.96613	0.9
132.98213	3.4
158.84650	1.9
167.86414	0.6
174.92429	0.6
174.99232	27.1
217.00252	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0505
Annotation	1-Hydroxy-4-methoxy-2-naphthoic acid
Peak:m/z	Relative Intensity
59.01376	34.3
60.74908	0.4
61.98845	2.2
71.01363	0.7
76.04344	0.5
90.97118	0.7
98.19875	1.1
101.03972	2.1
116.49742	0.4
116.92907	0.5
117.03498	0.7
119.05024	1.8
124.89127	2.7
129.03448	4.0
130.04196	0.5
132.98181	1.3
133.02985	0.7
143.04970	0.5
145.02968	0.9
146.03786	0.4
147.04526	3.8
157.02946	100.0
158.03256	4.5
159.04401	0.7
161.02408	2.8
170.88559	0.9
173.02397	1.1
173.06070	1.1
174.99242	9.1
185.02431	87.9
186.02777	3.7
188.89467	0.9
189.01933	4.5
201.01923	3.0
202.02751	0.8
216.17419	0.5
217.00352	6.5
217.05042	27.1
218.05388	0.8
229.01405	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	217.003
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
59.17812	0.4
60.01712	0.8
60.84927	0.4
61.98827	6.8
69.65411	0.7
69.65822	2.0
71.01377	0.6
72.83939	0.4
74.13876	0.4
82.33475	0.4
83.05025	0.5
85.02960	0.4
88.28693	0.4
90.97160	1.6
96.96024	0.5
116.92876	0.7
117.03451	2.4
118.96660	0.8
121.03017	0.4
124.89108	3.9
127.00450	0.5
130.04303	0.6
132.98174	3.1
133.02975	1.2
143.05026	1.5
144.05846	0.5
145.02951	1.3
147.04530	0.5
155.03700	0.4
157.02948	2.1
160.15567	0.5
161.02440	5.6
170.88765	3.4
171.04587	0.7
173.02415	0.8
173.06116	1.8
174.03218	0.5
174.99237	27.4
185.02420	2.4
188.89529	1.8
189.01930	19.9
189.03659	1.0
190.02159	0.9
191.03441	0.4
194.93742	0.5
199.13409	1.0
216.88046	0.8
217.00319	17.4
217.01625	9.4
217.04950	1.9
217.06702	9.4
217.08629	0.5
217.10771	0.8
217.14400	0.7
218.01862	0.7
218.04828	0.5
218.98166	0.7
231.96970	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1651
Annotation	7-Hydroxydodecanoate
Peak:m/z	Relative Intensity
51.18270	0.5
57.03429	0.8
59.01372	1.1
59.74042	0.5
61.98832	3.4
70.73087	1.0
70.73420	0.9
71.01377	1.2
83.05010	0.5
86.15624	0.5
99.92565	0.5
115.92081	0.8
122.89419	14.7
124.93517	0.5
125.09712	1.0
132.02145	0.9
139.11301	6.7
144.00897	7.2
153.12833	0.7
168.88651	0.8
169.15948	4.4
171.02019	0.7
183.10251	2.5
186.89758	6.9
188.01175	1.5
197.11855	0.6
197.15446	1.7
215.00974	47.5
215.03282	1.7
215.07143	1.9
215.10815	1.6
215.12953	3.8
215.16489	100.0
216.00665	6.6
216.06587	1.3
216.16821	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	215.129
Annotation	UNDECANEDIOIC ACID
Peak:m/z	Relative Intensity
50.68267	0.4
57.03442	1.4
58.16468	0.4
61.98827	0.6
69.19473	3.7
100.53376	0.4
114.98717	0.3
119.55649	0.3
122.89415	2.5
125.09747	1.7
144.00925	1.1
151.11299	1.4
153.12862	57.5
154.13199	2.1
161.64848	0.3
168.88681	0.5
171.13911	1.1
186.89760	1.2
197.11838	71.5
198.12169	2.7
200.04796	2.1
215.01030	8.7
215.07204	8.0
215.12881	100.0
216.00977	0.5
216.13235	3.5
232.03902	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.071
Annotation	Nepodin
Peak:m/z	Relative Intensity
60.82500	0.2
62.86502	0.2
63.34980	0.3
69.38590	0.5
69.38984	2.1
91.67932	0.3
98.19903	0.6
130.04237	6.6
132.02126	0.5
144.00919	1.1
145.02957	0.8
146.03766	1.7
173.02432	4.0
174.03204	39.3
175.03532	1.2
178.02754	0.7
199.03963	2.5
200.04788	6.1
206.02179	26.7
207.02466	1.0
215.01065	7.3
215.07101	100.0
216.01030	0.3
216.07445	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	213.1495
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
50.88103	0.2
59.01387	0.4
69.61073	0.2
70.55899	0.3
70.56248	0.6
93.03462	0.9
102.87174	0.2
111.08207	0.3
115.13123	0.2
125.65937	0.2
135.08156	0.5
137.09712	2.9
170.02048	0.3
177.02489	0.2
177.12831	0.5
183.13893	30.5
184.14235	1.6
195.13890	25.2
196.14288	1.3
206.42310	0.2
211.13364	0.6
213.14948	100.0
214.15253	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	215.0328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	28.4
55.44908	21.9
59.01368	71.3
70.68558	78.4
71.01373	79.3
72.99318	63.7
83.01376	61.3
89.02444	73.2
100.99173	22.8
101.02432	43.6
113.02485	34.9
172.99405	100.0
205.24954	25.0
215.00989	68.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1341
Annotation	Putaminoxin
Peak:m/z	Relative Intensity
59.01394	4.0
60.99305	1.4
61.98821	1.5
65.00326	1.1
67.01882	2.0
68.99843	0.8
72.99329	1.1
81.03465	1.6
81.25668	0.8
93.03423	1.1
95.01393	5.5
95.05036	0.9
97.06603	4.5
109.02953	0.8
121.02977	1.2
123.00869	1.9
123.04511	15.0
123.59047	0.7
125.02456	0.8
137.02422	1.9
137.09674	1.3
139.04051	1.3
139.07707	1.0
141.69215	0.8
149.02417	0.9
149.13335	2.3
164.98282	1.9
165.12787	2.5
166.99771	1.2
167.10802	1.0
167.14377	6.4
181.04970	1.3
183.13893	1.8
187.16507	0.8
192.97774	2.3
193.01451	1.4
193.12352	7.2
196.03751	1.0
209.11780	1.1
211.04063	1.6
211.05960	2.0
211.07767	2.2
211.13394	100.0
212.13725	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	213.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33204	0.3
55.01883	2.6
57.03441	1.5
67.34335	0.3
69.03455	0.4
69.46014	0.9
69.46422	1.4
72.64069	0.3
78.41404	0.4
81.03453	0.5
82.38284	0.3
83.05015	0.4
87.04508	0.8
94.04260	1.6
95.05039	0.8
98.20569	0.7
109.06605	1.4
109.21770	0.3
119.08694	0.7
120.05809	1.5
135.08163	21.6
136.08511	0.9
137.09724	100.0
138.10063	3.0
150.14532	0.3
181.08682	1.2
213.11308	4.2
213.14735	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1339
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
59.01376	0.8
61.98829	2.3
64.38470	0.3
65.00312	0.3
69.03448	1.1
71.61245	0.3
73.17198	0.3
83.04995	0.5
95.01378	1.1
98.20741	0.5
121.02928	0.4
123.00871	0.5
123.04499	3.2
123.08274	0.3
139.03995	0.4
165.12845	0.5
167.10780	0.9
167.14427	1.5
183.13899	15.3
184.14278	0.4
192.97749	0.4
193.12334	3.7
211.13382	100.0
212.13724	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	211.134
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
50.62235	0.4
69.16321	0.5
69.16524	1.0
69.16940	3.0
76.75449	0.4
79.44437	0.5
84.96505	0.4
95.01361	0.6
98.19875	0.7
111.08111	0.4
123.00854	0.5
123.04536	1.8
136.70581	0.4
145.68849	0.4
155.10745	0.5
165.12941	0.5
167.14403	1.3
183.13910	14.9
184.14311	0.7
193.12376	3.4
211.04056	1.1
211.13397	100.0
212.13786	4.4
224.16013	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0611
Annotation	Vanillactic acid
Peak:m/z	Relative Intensity
51.54794	0.2
60.99318	0.3
72.99303	4.5
78.11963	0.3
79.05525	0.4
81.03462	0.5
93.03464	1.1
95.01392	0.6
95.05016	2.4
98.19838	0.3
105.03460	0.8
108.02193	0.5
111.12138	0.2
121.02946	1.2
122.03745	2.5
123.04522	100.0
124.04850	3.3
137.02477	0.4
149.02490	0.3
151.04013	0.5
165.05579	1.1
166.21460	0.3
179.03519	0.6
193.05029	0.6
194.81689	0.2
199.44475	0.3
211.06099	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	210.0405
Annotation	Betalamic acid
Peak:m/z	Relative Intensity
55.01869	0.6
59.01361	1.2
64.01917	0.6
71.01360	0.6
71.49782	0.7
72.99288	0.7
77.03955	0.7
82.12634	0.5
92.05056	1.0
93.03436	0.5
93.07061	0.6
94.02986	2.6
95.01389	1.3
95.05004	0.9
96.95992	0.8
97.01669	1.7
103.04288	2.8
104.05058	40.9
105.05364	0.8
108.02187	0.7
109.02946	0.6
113.99574	0.7
118.35194	0.5
120.04544	7.2
121.02931	1.1
121.06547	0.7
122.06136	2.4
123.00794	0.5
123.04492	1.3
123.08102	0.9
124.04028	5.0
136.01646	1.4
137.02437	1.3
138.05635	0.8
139.03981	1.5
148.04036	62.1
149.02475	1.0
149.04333	1.4
149.06096	0.8
151.03970	1.9
153.05562	1.2
163.03976	1.0
166.05075	100.0
167.05420	2.7
181.05096	1.3
188.37201	0.5
192.00186	2.9
192.01840	0.5
192.97739	0.8
193.01402	2.1
197.19176	0.5
210.01126	0.8
210.04044	12.7
211.06117	2.9
211.09872	0.6
211.13391	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.949
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.3
61.98829	100.0
70.04974	0.5
71.94802	0.1
75.62814	0.1
78.95908	0.3
91.92121	0.1
94.02972	0.3
124.04055	0.8
162.97511	0.1
163.95595	0.3
164.96405	0.4
166.91118	0.4
195.67697	0.1
209.94891	28.0
210.07712	0.1
210.94940	1.3
211.05891	0.1
211.13414	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.7
59.01379	5.7
61.98829	16.9
65.00305	0.6
65.03976	0.4
66.01086	0.5
67.01908	0.6
69.03452	5.6
69.36696	0.8
69.37108	1.3
70.51543	0.3
71.01392	0.8
71.05014	0.6
75.32477	0.3
80.91691	0.5
81.03467	0.4
83.05015	1.7
84.53964	0.3
85.02943	0.6
91.01894	2.5
92.99816	0.8
93.03437	2.3
94.02980	0.8
95.01374	0.7
95.05004	0.9
96.96039	0.7
97.06630	0.5
107.01416	0.8
108.02165	0.5
108.05793	0.4
109.02946	1.0
109.06588	0.6
111.08131	1.0
116.92842	0.5
120.02187	1.9
121.02955	100.0
122.03234	2.3
124.04027	2.3
125.02426	0.6
133.02959	0.6
135.00891	1.6
135.04527	1.1
135.08109	0.6
136.01642	1.2
136.98808	0.5
137.02454	1.5
137.06071	0.9
139.04018	0.5
139.07530	0.3
147.11841	0.6
149.02332	0.3
151.03972	0.5
153.09186	1.1
163.00362	4.7
163.11311	1.2
164.00653	0.4
164.94125	0.8
164.98178	0.6
165.01903	1.2
165.05531	1.5
165.09198	1.0
165.12843	4.4
173.09755	0.3
179.03459	1.2
181.01430	0.7
181.04996	0.9
181.12340	5.4
190.99850	19.0
191.03510	0.6
191.10741	5.4
192.00159	1.0
192.10976	0.4
194.00974	0.5
194.05827	0.6
204.45195	0.3
208.93289	0.4
209.00948	3.8
209.04529	13.0
209.08272	1.2
209.11812	23.5
209.94856	4.5
210.12056	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50881	0.5
57.03444	3.6
57.28527	0.6
59.01377	100.0
60.01691	1.0
62.48527	0.5
69.44602	4.0
80.02686	0.9
81.03465	1.6
90.58395	0.5
95.72592	0.6
97.06602	2.5
98.20638	1.1
100.04006	0.5
104.68773	0.5
109.06595	3.3
120.02177	0.6
121.02950	8.6
124.03996	0.5
137.02538	0.6
149.09709	0.8
165.12816	4.4
174.49701	0.6
190.99890	1.8
209.01004	0.6
209.04561	1.2
209.11797	14.6
216.24390	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1182
Annotation	(+)-Epijasmonic acid
Peak:m/z	Relative Intensity
57.01720	1.2
57.03455	7.8
59.01378	10.5
59.72070	1.2
61.98530	1.8
61.98827	17.4
66.03491	1.4
69.03455	18.0
69.71259	1.9
69.71669	4.9
71.01351	1.8
71.05009	2.2
83.05023	3.5
83.98704	1.3
91.01885	2.1
92.99805	2.4
93.03447	4.4
94.02984	2.4
95.01370	1.3
95.05001	2.2
97.06603	7.3
98.20665	1.4
107.01389	2.0
108.05807	1.2
109.02922	1.7
109.06602	1.9
111.08151	15.9
120.02186	3.0
121.02952	100.0
121.10275	1.3
122.03268	1.7
124.04068	6.2
127.07648	1.3
133.02901	1.6
135.04468	2.0
135.08133	2.5
136.98798	1.6
137.02455	2.7
137.06024	2.4
139.76097	1.2
147.11807	1.5
153.09180	5.2
158.06859	1.2
163.00334	2.9
163.11244	2.9
165.01828	2.4
165.05516	1.4
165.09149	1.7
165.12839	61.7
173.09726	1.5
181.12337	14.9
190.99847	15.8
191.10756	12.4
194.05847	2.9
209.00937	6.0
209.04514	14.9
209.08220	4.6
209.11813	51.9
209.14792	2.4
209.94963	6.4
210.07726	1.7
223.32118	1.3
227.65298	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0454
Annotation	Vanilpyruvic acid
Peak:m/z	Relative Intensity
52.38844	0.7
67.65071	0.7
69.03461	1.9
71.49785	1.0
85.02972	0.7
85.98176	0.7
93.03469	2.0
93.07123	0.8
95.05025	1.3
106.04269	1.1
109.02978	0.8
119.05025	19.7
121.02953	14.2
121.06583	2.9
133.02939	2.1
135.04523	1.1
137.02481	1.9
137.06079	11.9
139.29472	0.7
149.02467	2.2
150.03242	3.9
161.02417	1.8
163.04010	33.6
164.04463	0.6
165.05568	100.0
166.05898	3.7
177.01970	1.1
180.61363	0.7
181.01404	0.7
181.05034	7.5
182.02234	1.8
189.01961	2.0
189.47113	0.8
190.99919	4.3
191.03510	38.7
192.03870	1.2
194.05811	1.0
209.01210	1.4
209.04544	55.2
210.04881	2.1
214.85420	0.7
228.78122	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0301
Annotation	mucic acid
Peak:m/z	Relative Intensity
55.01871	2.5
57.01965	1.4
57.03440	17.0
58.00583	1.5
59.01380	21.9
63.21099	1.6
68.99772	2.1
70.55849	3.9
71.01378	29.3
72.99310	9.6
73.02939	1.8
75.00869	34.5
80.75811	1.4
83.01398	3.9
84.02151	2.7
85.02948	100.0
87.00872	31.1
89.02435	8.3
93.03466	1.7
96.95994	1.4
97.06538	1.5
99.00871	3.4
100.98797	14.2
103.00378	2.6
104.05070	12.5
105.03464	2.8
111.00880	5.3
112.98793	3.3
115.00334	2.5
118.99869	7.6
120.04547	2.7
121.02951	4.4
129.01938	14.0
133.01431	9.1
133.02953	22.5
135.04568	2.5
142.99828	14.2
143.65286	1.7
147.02957	6.1
148.04057	12.3
150.03197	4.9
165.04036	12.7
165.05380	2.5
166.05084	18.9
173.00845	4.6
190.99869	6.6
191.01949	15.7
194.02182	2.2
209.01044	2.8
209.02966	23.4
209.04620	2.9
209.06627	5.6
210.04028	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	206.9744
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
62.98536	0.2
70.78738	0.4
75.73382	0.1
79.95055	0.1
108.01655	0.1
151.16956	0.1
162.98521	1.2
164.96361	0.2
177.01938	0.3
186.68810	0.1
192.04324	0.3
206.97455	7.1
207.97552	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.009
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71394	0.3
57.03393	0.7
59.01309	1.4
59.01595	0.6
70.81788	0.4
70.82111	0.7
71.01312	2.3
72.42445	0.3
72.99265	0.7
75.00793	1.2
78.56312	0.3
79.95688	0.5
84.02136	0.4
85.02948	8.3
87.00817	1.1
89.02391	0.5
93.03419	0.5
94.84858	0.3
95.01309	0.3
104.04989	0.6
107.01367	5.0
109.02937	0.4
111.00815	0.6
119.01382	3.5
121.02910	1.8
124.03988	0.7
129.01880	0.7
133.01395	0.9
134.51376	0.4
134.99966	0.5
135.00888	6.9
136.45242	0.3
137.02429	2.5
137.06085	0.5
139.03915	0.4
147.00818	1.2
147.02951	0.4
148.04051	1.5
150.03127	0.4
163.00360	16.9
164.00703	0.4
165.01944	0.8
166.05084	2.1
179.03412	0.5
190.99849	100.0
192.00235	3.6
194.02202	0.5
194.05775	0.3
209.00925	21.6
209.02934	1.9
209.04651	0.8
209.08260	0.6
209.11919	0.6
210.01245	0.6
210.04117	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0821
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
51.72662	0.8
58.02972	76.6
59.01361	2.8
69.78564	4.5
70.02979	13.1
70.75940	0.8
72.00895	4.5
80.31371	0.9
80.36909	0.8
84.95970	0.8
85.31013	0.8
87.07179	0.8
91.05526	11.5
98.20611	1.8
103.05516	1.6
105.43578	1.0
117.03467	0.8
124.04787	0.9
133.02962	1.1
134.03319	3.3
135.04510	2.6
147.04510	38.8
161.02406	3.3
161.87715	0.9
162.02768	21.7
162.09209	1.2
164.07150	100.0
165.07494	3.6
177.01833	1.0
188.29738	1.0
192.04213	1.4
206.01738	6.8
206.08191	39.0
207.08545	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40015	0.9
58.02972	39.1
69.26554	9.2
70.02965	12.4
72.00884	6.6
75.11891	1.0
91.05524	13.6
94.96944	0.9
99.75777	1.1
99.80421	1.0
103.05500	1.9
135.04503	2.8
147.04507	37.0
148.04803	1.2
163.04036	1.1
164.07155	100.0
165.07480	3.0
206.08186	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1596
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
59.01381	0.2
63.45630	0.1
71.07006	0.2
74.71418	0.1
80.37538	0.1
97.78090	0.1
105.07111	0.2
123.72328	0.1
141.52715	0.1
151.07576	0.2
161.02443	0.2
161.06084	1.6
162.89363	0.2
187.03975	0.3
189.12813	1.8
205.01346	0.2
205.05113	0.7
205.15955	100.0
206.16315	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	205.1235
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.01884	1.4
57.03442	3.5
57.17298	1.0
57.30746	1.2
59.01376	2.2
69.03450	2.8
69.38340	0.9
69.55911	5.8
71.01370	2.7
71.87936	0.9
72.51859	0.9
72.99286	1.1
75.00902	1.0
81.03443	1.8
82.78707	1.1
83.05032	4.7
85.02951	2.3
87.00922	1.3
93.03459	1.1
99.00858	1.6
101.51257	1.0
106.04254	10.1
107.05034	3.9
109.06562	1.9
115.00367	2.7
119.05024	1.4
121.06593	23.5
123.08179	2.1
131.05032	4.4
131.08630	1.2
133.06618	1.9
133.10226	1.2
134.03781	1.4
145.06543	2.3
147.08148	11.2
149.06093	6.0
149.09749	7.9
159.08119	1.4
160.08948	10.1
161.02443	2.6
161.06143	2.6
161.09727	11.5
163.11293	41.0
164.11691	1.5
171.08162	6.7
173.09726	1.3
175.07939	2.0
175.11285	96.0
176.08475	1.6
176.11601	2.4
177.12843	7.8
187.11295	33.1
188.11658	1.4
189.01918	5.5
189.09221	3.3
190.02722	15.5
190.09988	8.2
192.50514	1.1
202.99937	1.2
203.10735	2.5
203.48689	1.3
205.01395	2.1
205.05093	9.4
205.12334	100.0
206.12685	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	205.0868
Annotation	Bruguierol C
Peak:m/z	Relative Intensity
51.89661	0.3
54.48347	0.2
59.01381	1.1
59.47540	0.2
61.98813	0.8
65.00317	0.7
69.78280	1.3
71.01386	1.4
72.99301	0.8
73.02942	0.4
75.00855	0.5
82.03605	0.3
83.01363	0.3
85.02946	0.3
87.00874	1.1
88.38837	0.2
91.01869	0.3
95.01390	0.4
99.00877	0.4
99.42421	0.2
102.92333	0.3
103.05537	0.3
105.07093	1.6
108.02177	0.7
109.06577	1.9
111.00873	0.6
112.98584	0.3
115.00376	1.7
121.02953	3.5
121.97834	0.3
122.03751	0.8
124.98758	0.3
130.04242	0.3
131.08627	0.4
133.02948	1.1
133.06569	0.8
142.99734	0.3
146.03761	0.4
148.01689	0.3
149.02417	1.1
150.03214	27.8
151.03558	0.8
151.07634	1.8
154.99786	0.3
155.04980	0.2
159.04520	0.9
159.08156	3.9
161.02438	1.9
161.06070	13.8
161.09697	0.4
162.01878	0.3
162.06384	0.3
162.89270	1.2
175.07634	0.7
177.01949	0.5
177.09210	3.2
178.02666	0.4
182.02190	45.3
183.02516	1.7
187.04002	1.9
188.04697	0.4
189.05553	0.9
190.02554	0.3
190.06332	2.5
201.05630	0.4
203.07135	6.4
204.07440	0.3
205.01437	1.8
205.05028	3.9
205.08675	100.0
205.15939	4.2
206.09004	4.4
221.08177	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	205.0505
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-8-carboxynaphthalene
Peak:m/z	Relative Intensity
53.90709	0.4
70.26047	1.6
77.84816	0.4
83.76648	0.4
103.05538	1.2
104.02600	0.4
105.07104	9.9
108.34125	0.4
133.06546	3.1
146.03743	3.5
151.07651	10.3
159.04492	3.5
161.06078	100.0
162.06415	3.0
177.05498	0.5
178.02689	2.2
187.04013	11.3
198.05783	0.4
204.62086	0.5
205.05055	19.6
206.05457	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0354
Annotation	(2S,3R)-3-Hydroxybutane-1,2,3-tricarboxylate
Peak:m/z	Relative Intensity
55.01880	13.4
57.03448	6.5
58.00636	3.6
59.01108	6.3
59.01383	79.8
67.01887	5.9
68.99828	10.2
69.71519	13.5
69.71928	7.2
70.21635	3.3
71.01386	100.0
72.99310	55.5
73.02959	15.2
74.02513	3.7
75.00876	44.2
82.80580	3.1
83.01392	17.7
84.99293	3.9
85.02973	12.8
87.00874	56.4
89.02476	8.1
96.99330	7.4
99.00896	36.6
99.04550	3.5
101.02476	9.1
103.00351	8.4
111.00887	26.2
111.20797	3.5
112.98833	10.0
115.00380	91.9
117.01958	15.1
124.98808	14.4
125.02480	5.1
127.00363	9.4
129.01964	20.3
133.01479	3.5
142.99860	22.0
145.01440	16.1
146.22374	3.7
147.83981	3.4
154.99879	14.5
161.04442	4.0
173.00893	6.5
175.02367	6.5
205.03499	6.0
205.05273	4.1
205.06906	3.5
205.10852	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	203.9998
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.4
60.01717	1.0
61.01811	0.2
61.98832	100.0
62.98530	0.3
63.21592	0.1
65.22426	0.1
70.96927	0.2
71.01448	0.1
142.23093	0.1
203.99983	0.8
204.02858	0.4
208.00510	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	205.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16045	4.5
55.01871	8.7
57.03434	17.3
59.01375	58.7
60.99292	5.9
61.98823	12.8
62.48498	5.2
62.91699	4.8
67.01892	8.1
68.99818	9.7
70.53804	13.2
71.01379	100.0
72.99304	91.6
73.02930	20.2
75.00874	48.4
83.01389	36.0
85.02945	22.0
87.00872	49.2
89.02428	12.4
95.13709	4.6
95.14354	4.7
96.63113	4.3
99.00892	45.6
100.98813	12.6
101.02428	16.2
103.00365	5.7
103.78391	4.9
110.99471	4.9
111.00868	37.8
112.98804	35.6
115.00373	78.9
117.01965	11.8
124.98786	11.1
127.00349	13.8
129.01933	27.9
133.01457	8.3
142.99837	17.8
145.01370	14.0
154.99872	7.1
173.00882	6.2
175.26604	5.3
180.53596	4.3
205.05031	6.8
205.15916	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	203.0826
Annotation	Tryptophan
Peak:m/z	Relative Intensity
53.43395	0.8
71.16283	1.7
72.00907	25.6
74.02473	32.6
76.61192	0.7
86.62746	0.7
96.86949	0.7
109.70667	0.8
116.05061	100.0
117.05382	2.6
130.06664	3.8
132.08156	0.8
142.06618	29.9
143.07011	1.2
159.09274	18.7
161.04805	1.0
171.46803	0.9
186.05595	3.5
203.08253	62.4
204.08501	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	203.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78252	3.8
58.46623	3.4
59.01109	7.1
59.01382	88.8
59.21052	4.3
61.54789	4.2
61.98835	22.5
69.03456	8.1
71.01392	33.5
71.50223	3.3
71.50681	6.0
73.02975	8.2
79.16962	3.7
80.91735	5.3
82.23237	4.1
83.01399	7.0
83.05016	4.7
85.02973	7.9
87.92530	5.3
95.87444	3.4
97.02940	8.4
103.05566	8.2
103.92024	68.9
104.17295	3.4
104.92805	5.3
104.97755	54.7
113.02448	15.2
116.05043	7.0
117.03448	5.7
117.92859	5.4
124.04132	3.6
125.02400	4.2
130.04239	36.7
130.94400	12.9
131.05026	7.7
132.04637	3.9
141.63428	3.2
147.04572	5.8
148.95427	13.8
149.06059	6.1
159.00925	5.3
159.04529	100.0
159.08115	4.2
159.11755	5.4
160.89252	14.2
175.04059	24.8
188.01187	7.6
202.92558	5.4
202.94203	54.5
202.99873	8.9
203.02289	15.1
203.03560	20.3
203.07196	11.6
203.10854	13.2
203.12701	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	203.035
Annotation	1,4-Dihydroxy-2-naphthoate
Peak:m/z	Relative Intensity
54.42078	0.3
59.07466	0.3
65.00317	0.5
69.37278	1.5
69.37718	1.3
84.04469	0.4
92.36212	0.4
102.04745	1.2
103.05533	5.1
115.05457	0.5
121.67751	0.4
130.04243	19.6
131.05083	2.3
135.24190	0.3
149.06068	7.5
159.04507	100.0
160.04831	3.7
196.32222	0.3
203.03571	2.0
219.38680	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
60.83990	0.2
65.00316	0.4
69.47760	1.6
69.48093	0.3
72.29088	0.2
89.03982	0.3
91.05540	0.3
98.20615	0.5
102.04758	2.6
103.04884	0.5
103.05539	8.4
103.06232	0.4
104.05867	0.4
115.05527	0.5
115.85860	0.2
130.04243	33.3
130.13890	0.3
131.05124	2.3
145.29285	0.3
149.06073	10.7
150.06445	0.6
159.04507	100.0
160.04860	4.0
175.04056	0.3
203.01598	0.4
203.03491	8.2
204.03824	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.034
Annotation	1,2-Dihydroxy-8-carboxynaphthalene
Peak:m/z	Relative Intensity
50.24736	0.4
59.01368	1.4
62.00711	0.4
65.00304	0.6
65.65148	0.4
67.35918	0.4
87.44743	0.4
98.19952	1.1
99.92565	0.4
102.04754	2.5
103.05542	8.6
103.92052	1.0
104.05880	0.6
104.97762	2.3
113.02454	0.5
115.05531	0.7
119.69456	0.4
122.42486	0.4
128.34938	0.4
130.04250	34.0
131.05083	3.5
141.16408	0.4
147.00851	0.5
147.04532	0.9
149.06085	10.2
150.06439	0.6
150.79300	0.4
159.04518	100.0
160.04852	4.2
160.89305	1.3
175.03979	1.1
194.97798	0.4
202.94110	2.0
203.01898	0.6
203.03569	8.6
203.07237	0.5
213.43092	0.4
214.83731	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0198
Annotation	Oxaloglutarate
Peak:m/z	Relative Intensity
51.13985	1.7
55.01882	8.5
57.03434	4.2
59.01375	8.2
67.01884	2.3
68.99825	2.7
69.03461	68.8
71.01386	96.7
72.99306	9.6
73.02952	1.4
74.02467	3.9
75.00892	7.1
79.01901	16.7
83.01389	4.6
85.02961	14.4
86.00113	8.3
87.00887	17.0
88.04044	7.2
95.01379	9.1
96.99304	2.6
97.02956	93.9
98.00114	3.2
98.20745	2.6
98.21384	1.6
99.00846	7.2
100.01653	5.6
100.98774	1.6
101.02441	5.8
103.03968	1.4
103.92033	8.1
111.00863	6.4
113.02448	6.3
114.01952	2.9
115.00412	10.1
115.07699	1.5
123.00864	4.8
127.00384	43.7
129.01964	7.0
130.04243	1.6
131.03581	2.4
141.01956	23.4
141.05632	3.6
148.95418	2.1
159.03220	3.3
159.04524	5.4
160.04039	12.9
160.89290	2.0
161.08141	2.0
175.04012	1.7
185.04504	3.2
203.01970	100.0
203.05391	3.2
203.33321	1.5
204.02374	2.9
204.08781	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	201.0254
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47559	0.4
50.78838	0.4
59.01376	100.0
60.01696	0.8
70.81680	1.2
88.04047	1.2
109.51304	0.4
109.55194	0.4
111.02857	0.5
118.00517	0.5
157.03555	6.4
157.86273	0.5
159.01529	1.8
167.74873	0.5
168.54077	0.5
198.55827	0.4
201.02531	11.0
202.02678	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98295	0.3
59.01386	2.8
61.98821	0.6
70.99005	0.7
73.51791	0.3
101.03984	1.0
116.92830	0.4
117.03466	16.8
118.03785	0.6
119.05007	1.3
119.58202	0.3
129.03465	0.7
135.04483	0.3
145.02954	9.2
147.04524	2.1
154.56259	0.3
157.02966	0.5
161.02380	0.5
163.04015	4.6
164.83650	0.4
173.02437	11.0
174.02863	0.3
189.01927	0.4
191.03474	0.9
200.01155	0.4
201.01936	100.0
202.02275	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	201.0256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01714	0.7
68.59427	0.3
70.63062	0.4
70.63416	0.8
74.87234	0.3
84.15694	0.3
87.45984	0.3
95.75548	0.3
113.04612	0.3
154.56732	0.3
157.03572	6.5
159.01544	1.8
197.70692	0.3
201.02565	12.1
202.02722	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0194
Annotation	Xanthotoxol
Peak:m/z	Relative Intensity
51.07463	0.2
59.01373	0.6
65.00330	0.4
69.43643	0.4
69.44048	1.4
72.37956	0.2
101.03996	0.6
113.03943	0.3
117.03476	17.8
118.03819	0.5
119.05033	1.7
129.03487	1.0
133.02956	0.3
145.02969	7.9
147.04529	1.9
157.03004	0.6
163.04024	4.5
163.05269	0.4
164.83659	0.5
173.02440	12.0
174.02731	0.5
189.01979	0.6
191.03505	0.5
200.01189	0.3
201.01936	100.0
202.02280	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	201.0192
Annotation	Xanthotoxol
Peak:m/z	Relative Intensity
53.76787	0.2
69.64894	1.5
88.38147	0.3
101.03948	0.8
103.01913	0.5
104.00182	0.2
104.66469	0.2
108.40224	0.3
117.03461	22.1
118.03780	0.6
118.40951	0.3
119.05017	1.4
129.03481	0.9
145.02946	9.7
146.03233	0.5
147.04512	2.8
157.02954	0.6
163.04013	4.6
173.02425	7.5
179.31430	0.3
189.01942	0.6
191.03500	1.0
201.01917	100.0
202.02267	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	201.0195
Annotation	Bergaptol
Peak:m/z	Relative Intensity
51.87130	0.2
59.01379	0.9
65.00323	0.4
71.50109	0.3
83.05015	0.2
85.02947	0.2
95.01452	0.4
101.03959	0.9
103.01898	0.3
105.03442	0.3
117.03471	16.5
118.03816	0.5
119.05035	1.5
123.56987	0.3
129.03468	0.8
133.02960	0.3
145.02959	7.8
146.03293	0.3
147.04544	1.6
151.17487	0.2
157.02953	0.7
161.02446	0.3
163.03999	4.6
164.04445	0.3
173.02440	10.5
173.05994	0.3
189.01962	0.7
191.03571	0.6
199.53310	0.2
200.01106	0.3
201.01935	100.0
201.11324	1.0
202.02292	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	201.0194
Annotation	Xanthotoxol
Peak:m/z	Relative Intensity
63.28536	0.2
65.00320	0.4
65.05936	0.3
69.47382	0.6
69.47788	1.0
98.19909	0.6
101.03989	1.3
103.01905	0.5
117.03465	21.6
118.03794	0.4
119.05010	1.4
123.18884	0.2
129.03482	1.4
145.02954	9.7
147.04480	2.9
157.02954	0.6
163.02750	0.4
163.04016	4.4
165.42783	0.3
173.02437	8.2
180.78224	0.3
189.01944	0.5
191.03503	1.0
193.42467	0.3
201.01924	100.0
202.02255	3.6
220.50381	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0192
Annotation	Xanthotoxol
Peak:m/z	Relative Intensity
59.01374	0.8
65.00320	0.3
69.77399	1.2
81.85576	0.2
91.25282	0.3
98.19998	0.5
101.03954	0.7
103.01923	0.3
106.82285	0.2
117.03461	17.2
118.03795	0.5
119.05016	1.0
129.03481	0.9
145.02959	7.8
147.04495	1.8
149.02577	0.3
157.02948	0.7
163.03998	4.6
173.02426	8.4
174.02751	0.3
189.01910	0.7
191.03508	0.7
200.01120	0.3
201.01920	100.0
202.02281	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	201.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00322	0.3
69.47972	1.1
69.48371	0.3
71.44263	0.2
75.02410	0.2
77.46472	0.1
84.86543	0.1
89.57436	0.2
101.03951	1.2
103.01881	0.4
117.03464	21.5
118.03781	0.7
119.05024	1.8
123.99363	0.2
129.03442	1.2
133.98712	0.2
145.02951	9.1
146.03320	0.4
147.04498	2.5
157.02946	0.7
163.04016	5.1
173.02432	8.5
174.02769	0.2
174.29196	0.2
189.01888	0.5
191.03535	1.2
201.01923	100.0
202.02249	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	201.0192
Annotation	6-Hydroxyangelicin
Peak:m/z	Relative Intensity
57.50175	0.3
59.01369	0.5
61.61808	0.3
61.69277	0.3
65.00328	0.5
69.36420	1.9
74.71399	0.3
81.83131	0.3
101.03970	0.8
102.09024	0.2
116.52267	0.3
117.03458	17.4
118.03792	0.6
119.05009	1.2
129.03412	0.6
145.02951	8.8
146.03304	0.4
147.04526	1.8
154.64558	0.3
157.02910	0.7
163.03975	4.4
173.02422	8.4
189.01866	0.5
200.01083	0.3
201.01912	100.0
202.02252	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	201.0193
Annotation	Xanthotoxol
Peak:m/z	Relative Intensity
55.99049	0.2
59.01385	1.5
61.98817	0.5
63.47123	0.1
65.00322	0.4
67.05029	0.1
71.07384	0.3
75.20960	0.1
89.03954	0.2
95.69434	0.1
101.03959	0.9
103.01907	0.3
113.03960	0.2
116.92847	0.2
117.03461	17.5
118.03787	0.6
119.05035	1.7
129.03461	0.7
133.02940	0.3
145.02945	7.7
146.03372	0.2
147.04501	1.8
157.02907	0.8
163.04001	4.6
164.83588	0.3
173.02423	10.1
173.06033	0.3
174.02777	0.3
189.01909	0.6
191.03539	0.6
200.01120	0.5
201.01918	100.0
202.02255	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	201.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02955	0.2
65.00319	0.5
80.26894	0.2
84.95095	0.2
87.04502	0.2
89.03967	0.5
91.01910	0.3
92.18329	0.2
97.38602	0.2
101.03976	1.3
102.73203	0.2
103.01898	0.3
105.03465	0.7
109.85705	0.2
113.03873	0.2
117.03462	21.3
118.03806	0.5
119.04358	0.2
119.05028	1.8
126.64959	0.2
129.03465	1.4
133.02892	0.3
145.02946	10.7
146.03386	0.4
147.04504	2.8
148.65118	0.2
157.02965	2.7
161.02406	0.4
163.04010	5.2
173.02428	14.6
174.02788	0.6
189.01900	0.5
191.03482	1.0
201.01920	100.0
201.11351	1.0
202.02286	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	199.134
Annotation	UNII-UOM92D5748
Peak:m/z	Relative Intensity
51.55492	0.5
55.20993	0.5
55.28897	0.5
55.31880	0.5
57.03426	0.5
58.33083	0.4
59.01368	1.7
61.98820	2.4
63.28908	0.5
63.76060	0.5
67.01881	2.0
68.99789	0.7
69.03460	0.7
71.05035	0.9
73.02943	0.7
76.87234	0.5
83.01395	1.3
83.05038	1.3
85.02985	0.8
92.99805	1.4
93.03454	0.5
97.06625	0.6
99.00887	3.8
99.04527	0.7
99.08139	1.5
99.92645	0.5
111.00876	2.0
113.02449	1.1
113.49040	0.5
114.05609	0.6
117.11497	0.5
127.00386	1.0
127.04012	1.0
136.98798	1.4
137.09698	1.6
139.04030	0.6
153.12767	0.6
155.10788	10.6
156.89461	1.0
162.83922	11.7
163.84038	1.3
164.83612	11.5
169.12340	5.4
171.04485	0.7
181.12349	21.6
182.12715	0.5
186.29298	0.6
197.11850	2.1
198.80771	0.6
198.90665	0.6
199.06038	1.2
199.09666	2.1
199.13403	100.0
199.17007	6.7
199.80499	9.5
199.82208	0.9
200.13751	3.1
200.17276	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	2.1
61.98831	5.8
65.00315	1.5
67.01894	5.5
67.66122	0.9
68.99812	2.8
70.00496	4.1
71.01365	1.1
72.99304	0.9
76.80360	1.0
83.01391	4.8
85.02986	0.9
92.99827	7.7
99.00888	5.1
99.08141	2.2
99.92567	1.4
100.97688	1.0
111.00886	10.6
114.93420	2.2
127.00380	3.8
127.04052	1.0
134.30121	0.8
136.98802	3.9
144.11148	1.0
152.67781	1.1
153.12878	1.6
154.99866	3.0
155.10770	3.7
155.14401	1.2
156.89471	3.0
162.83890	2.0
164.83606	1.7
180.97792	2.6
181.12315	2.1
198.90709	1.2
198.98727	1.9
199.13397	100.0
199.17049	20.5
199.85182	0.9
200.13737	3.8
201.67336	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	199.1338
Annotation	(-)-NFX 2
Peak:m/z	Relative Intensity
51.34483	0.3
57.50418	0.3
61.98816	0.7
65.00301	0.4
67.01886	1.5
68.99791	0.3
70.45613	0.4
70.45934	0.9
83.01379	1.3
87.94658	0.3
92.99823	1.9
99.00873	1.0
99.08154	0.4
105.21793	0.3
111.00889	2.5
114.93354	0.5
115.51796	0.3
127.00337	1.1
127.04002	0.5
136.98820	1.5
137.94995	0.3
153.12872	0.9
154.99831	0.7
155.10805	1.9
155.14406	1.1
156.89461	0.4
162.83937	1.0
163.03922	0.4
164.83586	0.9
180.97774	0.5
181.12349	2.2
198.98825	0.8
199.13376	100.0
199.17070	4.3
199.80481	0.6
200.13675	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	199.1339
Annotation	(-)-NFX 2
Peak:m/z	Relative Intensity
57.03436	0.7
58.80090	0.3
59.01379	0.8
61.98826	1.0
67.01888	0.9
68.99822	0.5
70.51630	0.9
70.51975	0.6
71.01399	0.6
71.05022	1.7
73.02950	0.6
83.01380	1.0
83.05008	0.6
85.02950	0.5
92.99828	1.2
97.06586	0.5
99.00890	2.6
99.04473	0.4
99.08161	1.2
111.00925	1.7
111.04480	0.4
111.08163	0.4
113.02460	0.7
125.06052	0.5
125.09722	2.0
127.00402	0.4
127.03982	0.5
127.11301	3.7
136.98831	0.8
137.09709	0.8
141.87439	0.3
147.07779	0.4
153.12834	1.0
154.99916	0.7
155.10776	7.5
155.11923	0.6
155.14397	0.8
156.89470	1.0
162.83899	5.9
163.11273	1.0
163.83998	0.9
164.83604	6.6
165.11705	0.4
168.19440	0.3
173.51532	0.4
181.12349	1.2
187.57916	0.3
197.11838	1.9
198.90945	0.4
198.98767	0.5
199.13388	100.0
199.17099	3.5
199.80499	5.9
200.13733	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	199.1341
Annotation	(-)-NFX 2
Peak:m/z	Relative Intensity
52.43666	0.4
59.01380	0.5
61.98830	4.0
62.23586	0.4
67.01885	0.7
70.46033	1.3
83.01376	0.5
92.99828	0.6
99.00885	0.5
111.00876	1.0
153.12868	0.6
155.10782	2.6
155.14403	1.7
156.89519	0.4
162.83920	4.4
164.83612	3.8
181.12323	2.5
198.90607	0.5
199.13402	100.0
199.80516	2.9
200.13785	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	199.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
69.49561	2.6
70.10295	0.3
73.02943	3.0
98.19883	0.8
135.08176	1.3
137.09731	9.2
138.10065	0.4
155.10785	100.0
156.11104	4.2
157.71515	0.4
199.04056	0.6
199.09734	5.3
199.13365	0.6
199.17163	0.4
201.13081	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0977
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
69.28438	2.5
69.28858	1.7
73.02948	2.0
77.70870	0.5
92.02030	0.5
94.77438	0.6
111.58286	0.5
135.08142	1.0
137.09740	8.2
155.10780	100.0
156.11104	2.7
181.27159	0.5
199.09760	5.3
199.17075	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1548
Annotation	METHYL 10-UNDECENOATE
Peak:m/z	Relative Intensity
57.03448	3.6
59.77800	0.5
61.98818	2.2
63.02627	0.7
63.34377	0.6
69.03471	1.5
69.72757	2.2
71.05031	0.6
80.02684	1.3
81.03462	3.4
83.05032	11.3
85.06577	0.9
88.02418	0.6
93.03466	0.6
95.05019	4.6
97.06594	26.7
109.06599	2.4
111.07386	1.2
111.08169	22.5
112.95206	0.6
116.92878	1.6
123.00903	1.1
123.08209	1.2
125.02438	1.2
126.90489	1.6
137.09715	1.4
147.11809	3.8
149.09726	1.9
160.84207	4.8
161.84305	0.6
162.83929	13.2
163.11295	7.5
165.12854	100.0
166.13171	3.3
166.99814	1.0
182.02219	2.0
197.02092	0.6
197.08038	0.7
197.11760	1.7
197.15468	1.7
197.80840	7.3
209.11870	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	197.1182
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
58.01377	0.3
59.01369	1.0
59.50833	0.3
61.98826	2.2
62.13544	0.3
65.00335	0.6
69.03455	1.7
70.97726	0.7
71.01397	0.5
71.36238	0.3
78.80067	0.3
79.16228	0.3
83.05040	1.4
85.98759	0.3
95.01394	0.7
96.96016	0.6
97.06587	0.3
109.02985	0.8
109.06590	0.4
116.92842	1.5
117.84583	0.3
118.38847	0.3
120.63353	0.2
121.02977	0.8
123.00890	2.2
123.08151	0.6
125.02409	0.6
125.09685	0.7
126.90498	2.7
135.04527	0.5
135.11794	0.5
137.02444	0.5
138.03233	0.4
141.09210	1.5
151.11301	0.7
153.01886	0.6
153.05568	0.7
153.09196	2.4
153.12825	5.2
160.84210	6.6
161.84200	0.5
162.83902	17.9
166.99841	1.2
167.10767	0.4
169.12326	19.9
170.12654	0.5
178.99892	0.4
179.10750	2.0
182.02199	2.6
196.89430	0.3
196.91127	0.4
197.04541	0.9
197.11812	100.0
197.80780	8.8
197.90221	0.3
198.12164	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	197.1184
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
50.13821	0.6
50.80095	0.7
61.98829	2.6
64.90524	0.6
65.79852	0.7
68.78119	0.6
69.03455	0.7
70.41987	2.1
71.05022	1.6
82.52071	0.7
83.05048	0.7
83.18517	0.7
95.01383	1.0
96.96091	0.6
97.06588	13.5
97.65460	0.6
99.08150	4.5
109.02998	1.1
109.06570	0.9
111.00914	1.0
111.08163	0.7
112.01627	0.7
116.92877	2.1
121.02948	1.4
122.03756	2.3
123.00886	2.2
125.02448	0.8
125.09695	1.0
126.03243	1.0
126.90517	3.0
133.00880	0.7
135.08156	0.8
137.02504	0.9
137.09727	2.2
151.11287	1.1
153.01929	0.8
153.12857	100.0
154.13216	2.9
160.84230	12.2
161.84308	1.0
162.83920	31.0
166.99878	1.7
179.10789	22.4
182.02228	3.8
186.25339	0.7
197.02115	2.5
197.04468	1.4
197.10002	1.0
197.11856	9.4
197.15549	1.0
197.80806	18.1
197.82520	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	197.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.6
61.98829	4.8
65.00315	0.7
69.03436	2.2
69.94799	1.9
70.74213	0.5
71.01372	1.1
82.02954	0.5
83.05019	1.1
95.01377	0.6
96.96004	0.5
97.02889	0.4
97.06593	0.6
98.02447	0.4
103.97659	0.8
109.02961	1.4
111.04500	0.6
112.98520	0.6
113.02415	0.6
116.92835	2.0
121.02941	1.5
123.00909	3.0
125.02425	0.7
125.09698	0.6
125.60976	0.4
126.90486	3.8
130.99283	0.5
135.04535	0.5
138.03180	0.8
141.02058	0.5
141.09201	0.9
151.11256	1.2
153.01907	0.8
153.05540	0.7
153.09206	1.7
153.12846	5.7
160.84209	11.2
161.84216	1.1
162.83905	27.8
166.99847	1.7
167.10782	0.5
169.12325	18.2
170.12706	0.8
178.40369	0.4
178.99841	1.2
179.10757	2.1
182.02185	3.8
196.91025	0.5
196.98380	0.9
197.04533	1.2
197.11809	100.0
197.78940	0.9
197.80769	15.7
197.90276	0.5
198.12141	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	197.0608
Annotation	3,4-Dihydroxyfluorene
Peak:m/z	Relative Intensity
50.53582	2.1
59.01364	4.9
61.98822	22.1
65.00317	4.7
68.99847	3.1
70.44264	2.1
71.30105	4.1
71.90358	2.1
80.52400	1.9
85.02975	2.2
95.01376	3.6
96.95996	3.3
109.02953	9.5
111.00813	2.5
116.92860	14.4
121.02943	6.1
123.00866	18.3
123.04474	2.6
125.02431	5.3
126.90501	20.0
127.41935	2.3
135.04509	2.0
138.03236	6.2
153.01935	6.2
153.05544	4.8
153.09244	3.2
153.12828	7.1
160.84207	35.4
161.04672	2.3
161.84200	4.3
162.83907	100.0
166.99829	9.9
169.06589	5.6
178.99838	7.5
182.02203	23.1
197.02135	5.9
197.06088	72.4
197.08035	4.9
197.10030	3.4
197.11739	15.9
197.15440	5.8
197.80789	57.7
197.90260	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	197.0454
Annotation	3-(3,4-Dihydroxyphenyl)lactate
Peak:m/z	Relative Intensity
67.45950	0.4
69.17574	4.3
72.99306	100.0
73.99654	0.8
74.35218	0.4
80.96507	3.0
81.03443	0.9
89.46136	0.4
91.05536	0.6
93.03465	1.2
95.05008	2.2
96.96010	0.5
98.19939	0.8
99.54842	0.4
103.23839	0.4
106.04256	0.5
107.05046	3.0
108.02174	0.9
109.02966	3.6
117.03468	1.1
121.02956	0.5
122.03740	1.3
123.04523	66.1
124.04869	1.4
124.22855	0.4
133.02988	0.7
134.03743	9.8
135.04524	91.6
136.04852	3.1
139.07652	0.6
150.03221	0.6
151.04013	3.2
153.05568	1.0
179.03494	42.2
180.03839	1.5
182.02167	1.0
197.02716	0.6
197.04536	11.3
197.08290	0.5
197.11789	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1389
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
50.51565	0.3
55.63002	0.3
59.01367	0.3
69.68344	1.9
71.71080	0.3
75.03346	0.3
98.20596	0.4
99.08137	0.4
107.52505	0.4
109.06588	3.6
111.08152	3.4
122.03751	0.5
125.09724	0.9
135.11821	0.9
136.05319	0.5
136.92905	0.3
138.06860	1.0
139.07629	0.4
151.11305	0.4
160.84193	3.7
161.85646	0.4
162.69559	0.3
164.46732	0.3
167.14412	7.1
179.10762	5.0
180.11441	0.5
195.13892	100.0
195.81104	1.3
196.14198	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	193.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	0.3
65.90652	0.3
71.01381	0.5
73.02948	0.4
85.02940	0.4
89.03961	3.7
93.03468	0.4
98.17171	0.2
101.02399	0.4
106.04233	1.4
113.05101	0.3
117.03458	6.5
117.04285	0.4
118.03799	0.4
121.02959	0.6
133.02962	2.3
134.03738	100.0
135.04092	3.1
137.02446	4.7
139.04025	1.3
141.01999	0.3
149.06078	7.0
150.03236	0.7
161.04573	0.8
178.02707	17.0
179.03036	0.6
184.10239	0.3
184.52281	0.3
193.05035	12.6
194.05373	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0297
Annotation	3-(3,4-Dihydroxyphenyl)pyruvate
Peak:m/z	Relative Intensity
53.95248	0.3
54.01322	0.3
56.32781	0.3
57.03427	0.3
57.48841	0.3
59.01374	1.1
65.00302	0.4
69.65964	2.2
71.01363	0.7
72.99299	0.8
75.00869	4.3
76.41821	0.3
77.03960	4.1
79.05546	0.4
81.03445	1.0
85.02939	0.4
87.00878	1.6
89.02435	0.4
89.03973	1.6
93.03442	1.3
95.01398	0.4
95.05025	5.1
97.34347	0.4
98.20543	0.7
105.01945	2.1
105.03453	17.6
106.04274	0.8
107.05038	3.5
108.02180	1.5
109.02948	2.8
119.02620	0.3
121.02963	1.2
122.03754	0.8
123.00938	0.4
123.04528	16.6
124.01643	0.5
125.56569	0.3
129.01938	1.6
132.02179	0.7
133.02951	100.0
134.03310	3.6
136.05258	0.4
147.03050	0.7
149.02431	0.8
150.03252	0.6
151.04007	6.2
151.05106	0.5
159.02946	0.6
165.06900	0.3
177.01935	1.5
177.04019	1.0
195.03011	2.9
195.05086	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	193.0506
Annotation	5,7-Dihydroxy-4,6-dimethyl-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
55.01870	1.9
57.03440	1.3
58.00595	0.6
59.01378	8.3
67.01896	0.5
68.99828	0.5
69.03453	3.8
69.36250	1.0
69.36655	1.9
71.01379	10.5
72.99306	1.5
73.02940	11.6
75.00858	0.5
76.38717	0.4
79.01903	1.1
81.03465	1.0
83.01382	4.9
84.02161	0.4
85.02950	13.0
86.00101	1.6
86.02454	0.5
87.00871	9.4
87.01386	0.7
89.91792	0.4
92.97221	0.5
93.03448	1.1
95.01370	2.9
96.38863	0.4
97.02946	6.4
99.00880	10.6
101.02438	15.1
106.04243	1.7
106.06603	0.5
109.02966	0.5
111.00898	1.9
112.01672	0.8
113.02430	2.6
115.04098	0.6
117.03435	1.2
121.02956	3.4
123.00863	1.5
124.01691	0.8
125.02457	4.8
129.01952	0.5
133.02956	6.0
134.03737	100.0
135.04022	2.9
137.02432	17.0
138.02748	0.5
139.03992	5.3
140.01184	1.6
141.01949	3.4
142.02692	0.7
149.02458	1.0
149.04355	2.1
149.06067	19.7
149.33771	0.5
150.03244	2.3
155.03481	2.3
159.02980	0.6
161.04549	19.0
162.04961	0.8
163.04007	0.7
165.01906	0.8
175.06218	0.8
178.02707	54.1
179.03043	1.5
191.05728	0.6
193.01401	0.7
193.05051	24.6
193.07146	10.6
193.08818	0.9
194.05463	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	193.0505
Annotation	Methyl caffeate
Peak:m/z	Relative Intensity
55.01871	1.0
57.03431	0.9
58.00595	0.6
59.01376	4.8
60.58412	0.3
67.01885	0.3
69.03460	1.9
69.38918	2.4
71.01009	0.5
71.01376	6.0
72.99306	0.8
73.02549	0.6
73.02943	7.1
75.00861	0.4
75.61808	0.3
79.01890	0.4
81.03438	0.8
83.01386	2.7
85.02946	6.3
86.00091	1.3
87.00877	6.0
87.67171	0.3
89.04004	0.4
93.03458	1.1
95.01373	2.1
97.02946	3.4
99.00880	6.1
99.60088	0.4
101.02439	9.3
106.04219	0.7
109.02950	0.4
111.00870	1.2
112.01636	0.4
113.02452	1.5
117.03447	0.8
119.05006	0.3
121.02951	3.3
123.00892	0.8
124.01649	0.6
124.92577	0.4
125.02453	2.6
133.02954	19.9
134.03740	36.6
135.04074	1.1
136.98544	0.3
137.02441	16.6
139.04012	5.1
140.01234	0.4
141.01965	2.2
142.02670	0.5
149.02431	0.5
149.06053	2.5
150.03241	1.7
155.03529	1.5
161.02441	28.6
161.04494	10.6
162.02773	1.0
163.03941	0.5
175.06148	0.5
178.02705	8.9
179.03079	0.4
180.48987	0.3
193.05049	100.0
193.07045	6.0
194.05354	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	193.0506
Annotation	4-Hydroxy-3-methoxycinnamic acid
Peak:m/z	Relative Intensity
58.00327	0.3
69.61047	1.5
69.61455	1.0
89.03970	2.5
98.20564	0.8
106.04297	0.8
117.03473	7.4
118.96589	0.4
121.02971	1.0
133.02950	1.6
134.03749	100.0
135.04066	3.6
137.02458	6.2
139.04059	1.9
149.06079	12.2
150.03262	0.6
150.06281	0.4
178.02713	24.6
179.03004	0.8
193.05061	18.8
194.05365	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	193.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
70.09956	0.2
71.01185	0.4
73.02930	0.3
80.11839	0.3
80.22389	0.3
83.10385	0.2
89.03969	2.7
101.02441	0.3
106.04232	0.7
117.03460	5.1
134.03737	100.0
135.04082	3.0
137.02431	0.9
142.60013	0.3
149.06073	2.3
156.18430	0.3
161.04523	0.5
178.02682	2.5
193.05057	5.0
193.06941	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.056
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	5.5
59.01370	4.0
63.92815	0.6
67.01882	2.6
70.69226	0.9
70.69567	1.5
71.01386	3.3
71.46096	0.6
73.02933	1.5
73.76806	0.8
78.05763	0.6
81.03443	0.9
83.05010	1.1
85.02950	42.8
87.00873	36.0
88.01241	0.7
90.16772	0.7
93.03446	6.9
99.00869	1.3
99.04531	1.2
109.02952	1.6
111.00880	56.3
111.04506	2.4
112.01199	1.1
113.02411	0.7
127.04001	5.0
129.01970	4.6
171.02954	1.5
173.00920	0.7
173.04552	1.0
191.02075	5.4
191.05606	100.0
192.06001	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	191.056
Annotation	D-(-)-Quinic acid
Peak:m/z	Relative Intensity
57.03433	0.5
57.30497	0.2
57.84560	0.2
59.01374	3.1
67.01885	1.0
67.14632	0.2
69.03452	0.7
70.65342	0.2
71.01390	2.1
71.22682	0.5
72.99291	0.3
73.02943	1.0
81.03451	1.1
83.05032	0.7
85.02950	25.8
87.00877	5.3
87.33979	0.2
93.03455	7.7
99.00925	0.2
99.04522	1.0
107.52203	0.2
108.02190	0.4
109.02967	1.7
111.00861	0.9
111.04517	2.2
113.02468	0.5
127.04017	4.7
129.06389	0.2
137.02408	0.3
153.01917	0.4
155.03479	0.3
171.02989	1.0
173.04518	2.2
191.05606	100.0
192.05959	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	191.035
Annotation	Pisonin F
Peak:m/z	Relative Intensity
59.01385	0.4
64.84137	0.2
66.52007	0.2
68.38892	0.2
69.22187	1.9
85.02947	3.1
87.00876	1.4
93.03448	1.2
111.00879	2.1
119.05019	0.9
121.02952	100.0
121.62852	0.2
122.03286	2.6
127.04010	0.3
147.04518	6.1
163.04028	0.8
173.04517	0.3
176.01187	0.3
190.99886	0.4
191.03513	8.3
191.05606	8.3
205.83420	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0561
Annotation	D-(-)-Quinic acid
Peak:m/z	Relative Intensity
50.60843	0.1
57.03440	1.1
59.01376	2.9
67.01887	1.1
69.03449	0.7
70.55348	0.3
70.55682	0.2
71.01384	1.9
72.99329	0.3
73.02941	0.8
81.03436	0.8
83.01407	0.2
83.05032	1.0
85.02946	25.5
86.03288	0.3
87.00873	9.0
93.03455	6.9
94.03760	0.2
96.02154	0.2
97.02936	0.2
99.00861	0.3
99.04526	0.9
101.02419	0.3
109.02948	2.0
111.00879	9.1
111.04521	2.1
113.02454	0.4
125.02473	0.2
127.04008	4.9
129.01923	0.5
137.02435	0.3
148.95006	0.2
150.82849	0.2
155.03433	0.3
171.03014	1.2
173.00894	0.2
173.04523	2.2
191.05598	100.0
192.05936	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	191.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	4.7
59.01376	3.7
60.75006	0.3
60.99292	0.4
62.01360	0.3
67.01889	3.3
69.03443	0.6
69.33149	2.2
71.01376	3.0
73.02950	1.1
81.03461	1.0
83.01363	0.4
83.05000	0.8
85.02947	40.8
86.03279	0.4
87.00873	36.0
88.01197	0.4
93.03453	6.9
95.01390	0.4
99.00866	0.6
99.04528	1.0
101.02457	0.8
109.02975	2.0
111.00877	64.6
111.04488	2.0
112.01212	1.4
112.98840	0.6
113.02395	0.3
127.04015	4.8
129.01941	4.6
137.02460	0.5
154.99826	0.4
155.03481	0.5
171.03024	1.5
173.00880	0.9
173.04547	1.7
173.18861	0.3
191.02042	6.5
191.05598	100.0
192.05942	2.8
203.34125	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	4.4
59.01383	4.1
60.99298	0.5
66.15328	0.3
67.01895	3.6
69.03458	0.9
71.01386	3.5
71.38180	0.5
72.99323	0.4
73.02939	1.6
73.56239	0.3
81.03462	1.0
83.05021	1.2
85.02953	41.0
86.03281	0.9
87.00880	29.5
88.01230	0.5
93.03463	9.2
95.01403	0.4
99.00887	0.5
99.04523	1.3
101.02454	0.7
101.06049	0.4
107.01389	1.0
109.02943	2.4
111.00885	48.8
111.04523	2.4
112.01227	0.9
113.02456	0.4
114.91251	0.3
127.04015	5.3
129.01958	3.0
130.99809	0.6
135.00879	0.9
137.02454	0.5
140.83879	0.3
147.04538	0.4
155.03426	0.4
155.48273	0.3
163.00377	2.4
163.04109	0.3
171.02971	1.7
172.52739	0.3
172.54213	0.3
173.00896	0.7
173.04482	2.2
176.01131	0.4
190.99873	3.4
191.01987	4.9
191.05614	100.0
192.05972	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	189.0195
Annotation	3,5-Dihydroxy-1,4-naphthoquinone
Peak:m/z	Relative Intensity
59.01389	0.4
60.16512	0.2
61.98837	1.6
64.26687	0.1
65.00333	0.7
69.78261	0.9
77.03983	0.6
89.03970	1.6
93.03465	0.3
95.05037	1.4
98.20589	0.3
105.03461	1.2
117.03483	5.3
121.02991	0.3
123.04535	5.7
124.04931	0.2
129.05617	0.5
133.02965	23.0
134.03314	0.6
142.86853	0.3
143.86534	3.5
145.02911	0.3
149.02489	0.2
161.02451	100.0
161.87593	0.7
162.02800	4.0
170.88927	0.3
174.03210	0.2
189.01936	52.5
189.85910	0.2
190.02283	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	188.0351
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
59.01374	0.4
61.98828	0.2
72.99288	0.2
87.92523	0.3
98.19840	0.3
102.03502	0.7
103.92000	0.2
115.36099	0.2
115.66871	0.2
116.05089	1.2
116.05812	0.3
117.03473	0.4
117.97192	0.2
118.03012	0.2
126.10092	0.3
127.07695	0.2
128.05083	0.2
129.05547	0.5
130.06642	0.2
141.86819	0.9
142.06651	0.2
143.05037	0.4
144.04556	100.0
145.04898	3.4
158.06111	0.9
159.03250	1.1
159.04460	0.3
160.03978	0.2
161.02419	0.8
161.06096	0.5
170.06035	0.2
170.88901	0.3
171.04492	0.5
188.03500	3.5
188.07140	0.3
189.01953	0.6
189.05553	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1339
Annotation	[1S-(1a,2a,3b,4b)]-1-methyl-4-(1-methylethyl)-1,2,3-Cyclohexanetriol
Peak:m/z	Relative Intensity
57.03446	0.4
59.01376	0.4
61.98818	1.3
69.32043	0.7
69.32447	2.0
71.01382	0.5
76.70242	0.3
83.05022	0.3
91.95655	0.4
97.06586	1.0
113.09776	0.3
115.05552	1.8
125.06110	0.3
125.09730	5.9
127.03978	0.3
131.05017	0.4
141.12856	7.0
141.86813	5.0
142.13264	0.4
143.10783	0.4
144.04463	0.3
159.04520	0.9
159.87878	0.8
168.88884	0.7
169.12325	2.4
185.11807	0.9
187.04010	1.5
187.09958	3.3
187.13385	100.0
188.11157	0.5
188.13715	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	183.1389
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
57.01455	0.2
57.48001	0.2
62.60964	0.1
103.35759	0.2
111.00946	0.2
122.73642	0.2
152.55190	0.2
183.02985	0.4
183.13890	100.0
184.14211	3.1
187.07639	0.2
195.78709	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56923	0.4
57.03447	2.0
58.61832	0.4
59.01384	2.2
63.21316	0.4
65.03959	1.2
69.32704	0.7
69.33117	3.2
79.05521	0.6
94.49062	0.5
97.06588	5.5
98.20633	0.7
100.09916	0.4
105.07098	11.5
121.06592	3.2
123.08198	2.4
125.09718	39.7
126.10033	1.0
130.08830	0.5
131.05019	1.4
143.08580	0.4
143.10739	1.1
144.05779	0.7
145.08693	1.3
145.10219	5.6
147.08115	1.5
156.05739	0.7
157.06541	1.7
159.08200	0.8
169.08745	0.7
169.10257	1.1
170.07332	0.9
171.08153	26.9
172.08533	1.2
185.09657	0.7
187.09732	13.4
187.11263	100.0
188.10097	0.8
188.11577	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	183.1391
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
57.17797	0.2
60.26805	0.2
67.01882	0.4
69.28319	1.3
69.28732	0.5
71.01408	0.2
72.08421	0.2
79.05532	3.1
79.52174	0.2
83.04996	0.2
90.56733	0.2
95.05051	0.4
98.19793	0.2
111.00890	0.6
112.04004	0.2
118.19627	0.2
121.58015	0.2
124.01680	0.5
139.00368	0.5
139.03979	0.3
139.07622	0.3
140.01115	0.3
152.98351	0.2
165.01953	0.8
168.00676	0.7
182.85812	0.3
183.00581	0.4
183.02998	2.6
183.13905	100.0
184.14217	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	183.1388
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
57.03437	0.9
59.01376	0.5
67.01885	1.3
68.99809	0.9
70.65119	1.6
71.01373	0.7
80.74489	0.5
82.33502	0.5
95.01381	1.7
97.02932	0.6
109.02943	0.5
111.00895	3.2
111.08157	0.5
116.30908	0.5
123.00902	3.2
124.01673	1.0
136.98799	0.7
139.00368	2.0
139.03981	1.0
139.11328	0.6
140.01155	1.3
140.07129	0.8
149.06158	0.6
152.98291	0.7
153.00662	2.4
168.00635	2.8
171.50478	0.5
182.99066	1.0
183.00500	12.3
183.02931	7.6
183.10541	2.8
183.13892	100.0
184.06194	0.7
184.14201	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	181.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.6
57.03449	0.6
59.01376	9.0
65.00321	0.5
65.03963	0.9
70.84372	0.8
71.01381	11.6
71.01781	0.6
72.01701	0.6
73.02946	1.6
83.01384	1.2
85.02937	2.5
87.00833	0.5
88.01060	0.4
89.01302	0.7
89.02457	5.5
91.05521	0.5
93.03439	3.0
93.07091	10.6
95.05017	6.7
97.02937	1.3
101.02436	12.8
103.28603	0.4
108.02170	1.6
109.02950	17.6
110.03307	0.4
113.02409	0.7
119.03493	1.3
119.04967	0.5
121.02948	16.7
122.03749	0.6
123.04478	0.4
131.03476	0.6
134.03761	0.5
135.04526	9.7
136.04829	1.7
136.98788	0.7
137.05057	11.3
137.06070	100.0
138.06425	2.3
139.03996	0.7
151.00366	2.0
163.03996	12.7
163.06126	1.7
164.04396	0.5
166.02693	3.0
166.94957	0.4
175.88010	0.4
181.01524	0.8
181.05052	21.4
181.07141	6.4
182.05431	0.7
182.11024	0.4
201.44977	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	6.6
64.01900	0.3
65.00313	0.7
65.03953	0.8
67.01890	0.4
68.81903	0.3
69.77946	1.8
71.01383	7.7
72.77810	0.3
73.02935	1.2
73.07622	0.3
83.01374	0.9
85.02955	1.2
87.00870	0.4
89.02449	4.4
91.05514	0.6
93.03463	1.8
93.07098	10.5
95.05029	4.9
101.02444	7.2
107.04996	0.3
108.02194	1.5
109.02950	17.2
110.03288	0.4
113.02390	0.4
118.58102	0.4
119.03511	1.1
119.04988	0.6
121.02957	14.7
123.00887	0.3
123.98111	0.3
131.03476	0.4
135.03491	0.6
135.04524	8.8
136.04944	1.9
137.05064	11.7
137.06073	100.0
138.05470	0.5
138.06427	3.1
151.00359	1.4
163.03995	10.4
163.06140	0.7
163.44397	0.3
166.02716	1.8
181.05055	18.4
181.07143	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	179.056
Annotation	scyllo-Inositol
Peak:m/z	Relative Intensity
55.01883	0.7
57.03439	0.6
58.00579	0.4
59.01376	8.3
68.99832	0.2
69.03455	1.1
70.65797	0.5
70.66122	0.2
71.01379	8.2
71.49940	0.2
72.00905	0.9
72.99305	0.6
73.02943	2.9
75.00871	0.8
79.01893	0.4
79.05518	0.2
80.96527	0.5
81.03471	0.6
83.01392	1.5
85.02942	4.5
87.00871	20.9
88.01213	0.3
88.06786	0.2
89.02440	2.7
89.03954	0.4
91.05524	0.7
93.03455	1.0
94.23285	0.2
95.01388	0.6
97.02951	1.8
99.00874	5.1
99.04513	0.2
101.02441	2.6
105.01909	0.3
106.04224	0.4
107.05010	2.3
107.64795	0.2
109.02898	0.2
111.00858	0.3
113.02432	1.2
117.01202	0.3
117.01943	3.5
117.03459	0.7
119.05014	2.7
121.02890	0.2
123.00919	0.3
123.03105	0.2
125.02451	3.3
129.01949	0.6
131.03542	0.3
133.02957	0.3
134.03743	7.4
135.04520	100.0
136.04855	3.0
136.93958	0.3
141.01932	1.8
159.03032	1.0
161.04549	11.0
162.04849	0.3
163.03992	2.7
177.04001	0.6
178.94939	0.3
179.03500	14.1
179.05617	12.6
179.07196	0.5
180.03902	0.5
180.05370	0.3
180.06700	2.2
186.02151	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.056
Annotation	myo-Inositol
Peak:m/z	Relative Intensity
54.35970	1.0
55.01869	1.9
57.03448	2.9
58.00583	1.6
59.01376	32.9
68.67908	1.0
69.03446	6.2
70.60608	3.1
70.73059	1.1
71.01379	31.7
71.05048	1.1
72.99297	7.6
73.02942	13.2
74.84702	1.0
75.00869	54.9
79.01881	1.3
80.11285	1.1
81.03450	4.4
83.01376	7.3
85.02949	20.3
87.00871	100.0
89.02433	12.7
89.32123	0.9
95.01347	1.6
95.80446	1.0
97.02946	9.2
99.00871	26.4
99.04515	1.2
101.02439	11.8
105.01936	3.0
107.36922	0.9
113.02431	4.3
115.93346	0.9
117.01927	16.1
122.73875	1.0
125.02428	13.0
129.01886	1.9
131.03455	1.7
134.96078	1.1
141.01921	7.4
143.03459	5.6
159.02974	4.7
161.04541	60.3
162.04869	1.8
177.04004	1.7
178.94997	1.1
179.05603	86.7
180.05974	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	179.0349
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
51.78996	0.1
69.91544	0.5
69.91962	0.3
79.05536	0.2
87.00888	0.4
89.03964	0.3
91.05551	0.5
93.03487	0.2
95.05059	0.2
106.04234	0.1
107.05016	1.8
117.03442	0.6
131.45682	0.1
133.02956	0.2
134.03743	6.6
135.04523	100.0
136.04848	3.0
161.04562	0.2
179.03490	14.3
180.03836	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0349
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
54.86409	0.2
55.01874	0.2
57.03443	0.2
59.01373	3.0
60.06740	0.2
62.14342	0.2
69.03451	0.5
70.03645	0.7
70.04028	0.3
71.01381	3.5
72.99305	0.4
73.02940	1.3
75.00866	2.2
78.90578	0.2
79.05539	0.2
81.03443	0.3
83.01385	0.5
85.02944	1.9
87.00873	8.2
89.02445	1.0
89.03969	0.2
91.05530	0.6
93.03474	0.3
95.01398	0.3
97.02949	0.7
99.00874	2.4
101.02434	1.1
106.04262	0.5
107.05008	2.4
113.02437	0.3
117.01941	1.8
117.03452	0.7
121.76503	0.2
125.02472	1.0
129.01933	0.3
133.02937	0.3
134.03743	7.5
135.04518	100.0
136.04840	2.9
141.01938	0.4
143.03513	0.2
159.02962	0.2
161.04544	4.1
177.04109	0.3
179.03493	13.2
179.05592	5.1
180.03828	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.9506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.5
61.98822	0.6
69.63286	0.2
69.85358	0.8
71.01375	0.4
71.17536	0.3
73.25632	0.2
77.41812	0.2
79.95750	0.3
82.81779	0.2
87.00877	1.5
95.95243	0.2
98.19972	0.2
99.00914	0.4
114.98580	0.2
116.83339	0.2
119.93658	1.3
134.96085	54.9
135.96162	3.0
136.94003	100.0
137.94080	5.3
150.88741	0.2
151.92709	17.8
152.92805	1.1
161.04564	0.7
178.95050	62.1
179.05626	0.7
179.95145	3.4
193.07645	0.2
196.96069	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0193
Annotation	6,7-Dihydroxycoumarin 
Peak:m/z	Relative Intensity
54.04441	0.4
56.38192	0.5
65.00330	0.6
69.40151	3.6
70.43637	0.5
77.03967	13.6
89.03974	2.6
93.03452	2.0
95.05021	15.5
105.03458	48.9
106.03792	0.9
121.02948	1.7
123.04540	3.9
132.02187	1.3
133.02953	100.0
134.03278	3.1
149.02432	0.8
177.01903	3.1
197.03455	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0193
Annotation	5,7-Dihydroxycoumarin
Peak:m/z	Relative Intensity
59.01383	0.4
60.07494	0.3
60.72935	0.3
65.00327	0.7
65.03964	0.4
70.89855	0.6
72.92126	0.3
74.49928	0.3
77.03961	12.8
77.11892	0.3
78.04297	0.3
79.33403	0.3
89.03965	3.3
93.01589	0.3
93.03469	2.1
95.05022	15.7
96.05371	0.3
105.03452	50.3
106.03795	1.4
121.02941	1.7
123.04527	3.7
132.02168	2.7
133.02948	100.0
134.03281	3.6
149.02470	0.7
177.01881	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	177.0194
Annotation	Daphnetin
Peak:m/z	Relative Intensity
59.01377	1.0
69.40130	0.4
69.40537	1.2
71.01384	0.6
75.00878	0.3
77.03960	1.6
81.03452	2.3
83.01420	0.2
87.00876	0.6
89.02473	0.3
89.03974	9.4
91.01860	0.3
93.03450	3.0
95.05032	2.3
99.00860	0.3
104.02674	0.3
105.03462	17.2
106.03794	0.4
107.01413	0.9
108.02225	0.3
109.02949	0.6
117.03468	0.3
119.01338	0.3
121.02962	2.3
123.04536	0.9
129.01955	0.3
132.02110	0.3
133.02956	36.2
133.06619	0.6
134.03653	0.9
135.04506	0.3
139.04004	1.4
141.86823	0.9
145.02939	0.3
148.01697	0.4
149.02455	5.7
149.06050	0.8
150.02844	0.3
162.03214	4.3
166.82903	0.2
175.56871	0.2
176.83952	0.3
176.85858	0.8
177.01924	100.0
177.09106	1.5
177.85997	0.3
178.02284	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	174.0324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25845	0.8
59.01380	1.9
67.01890	7.1
68.02213	0.9
70.49824	0.8
71.01383	1.5
71.50338	1.1
85.08748	0.9
87.00868	2.3
93.03461	2.7
94.03804	4.8
108.02314	0.9
114.01958	1.2
115.00368	1.8
117.03483	9.1
118.03830	3.2
119.05024	0.9
121.02977	5.4
133.03001	1.5
134.03752	1.0
145.02959	23.5
146.03754	22.4
147.00893	2.1
147.04552	1.6
149.02493	2.6
161.02435	9.8
161.22693	0.9
163.04071	3.5
164.04401	1.7
173.02446	100.0
174.03209	96.8
174.88960	2.5
175.03987	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	175.0401
Annotation	1,3,8-Naphthalenertriol
Peak:m/z	Relative Intensity
51.02383	1.3
52.45286	0.6
57.03435	1.1
58.00599	1.0
59.01381	15.2
61.98834	2.0
65.00320	1.5
67.01891	16.1
69.03455	1.8
70.41740	1.6
71.01385	5.4
72.99303	2.1
73.02956	3.0
79.01888	1.4
83.01415	1.7
83.05022	0.8
84.02149	1.0
85.02958	5.0
85.06593	1.5
86.00130	0.8
87.00882	6.8
89.03970	2.7
91.05519	1.6
91.42665	0.7
93.03440	2.2
95.05038	1.1
97.02956	1.8
99.00898	1.6
101.03958	0.7
102.04748	1.9
103.05550	3.4
107.01372	1.1
113.02473	1.2
113.06077	1.8
115.00359	2.0
115.04006	3.8
116.92839	1.4
117.03401	0.8
119.01376	0.7
119.05024	5.5
124.01635	0.6
128.15616	0.7
130.04271	3.4
131.03535	1.9
131.05025	16.7
132.02159	0.8
132.98184	2.0
133.02960	28.9
139.87230	0.6
145.02971	2.5
147.00923	4.6
147.04529	29.7
148.01541	0.7
148.03908	0.7
148.04988	0.8
157.01411	1.0
160.01630	2.0
161.04893	1.0
174.03206	0.7
174.82697	1.1
174.84048	1.5
174.86093	1.4
174.88988	10.8
175.00450	2.5
175.03996	100.0
175.06189	5.2
176.03268	1.1
176.04396	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	174.032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16414	0.8
58.57418	0.8
59.01377	3.0
60.99309	0.9
61.98831	13.3
63.18203	0.8
67.01887	2.2
68.02215	2.9
69.03460	1.2
71.01388	1.7
71.49637	1.4
71.56416	0.7
73.02934	1.2
85.02953	1.4
88.98803	2.9
90.41053	1.1
93.03481	2.9
94.03788	14.6
99.92572	1.0
101.98087	2.0
105.03503	1.1
109.48975	0.8
112.00439	0.9
112.04764	1.5
113.70453	1.0
114.01953	1.3
115.03963	1.5
117.03443	2.0
120.13125	0.8
121.02934	1.4
123.04539	5.1
130.04242	63.3
131.03711	1.5
131.04546	1.7
132.02164	5.9
133.02931	4.1
145.02956	27.0
146.03737	21.3
147.00880	1.1
147.04497	2.1
155.51073	1.0
162.03191	1.1
173.01242	0.6
173.02422	54.6
174.03200	100.0
174.82808	1.0
174.88945	6.0
175.03860	7.1
175.06197	1.6
178.02713	26.2
179.03052	1.4
183.46260	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	2.5
55.01880	7.0
57.03450	3.9
58.02965	4.2
59.01380	7.8
59.03308	1.0
67.01891	7.5
68.99828	4.0
69.03441	0.8
69.10288	0.7
70.01175	0.7
70.63306	1.7
70.63652	1.0
71.01379	100.0
72.01710	1.3
72.99301	6.5
73.02938	8.5
74.02479	2.2
80.99838	1.9
83.01384	9.1
83.05008	1.2
84.99313	0.7
85.02945	4.9
85.06618	0.8
85.20026	0.6
86.02457	1.8
86.06088	1.0
87.00877	5.2
87.05651	0.8
93.03456	15.5
96.99294	4.6
99.00876	34.1
99.61079	0.7
100.07688	3.2
101.02484	0.9
101.08019	1.5
111.00875	27.1
111.04529	3.7
112.97997	0.8
112.98810	25.8
115.00381	3.5
124.98803	30.7
125.99151	1.3
128.07175	5.4
129.01950	2.6
129.05525	0.8
129.07498	0.9
129.10387	2.3
131.08255	1.3
132.06693	0.8
140.98338	1.5
142.99852	60.1
144.00189	0.9
154.99934	1.5
155.03363	0.9
169.60123	0.7
173.00890	10.7
173.04576	3.1
173.09303	1.5
174.07730	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	173.0091
Annotation	5-(1,2-Dihydroxyethyl)-2,3,4(5H)-furantrione
Peak:m/z	Relative Intensity
53.00282	2.1
54.52868	0.8
55.01876	6.3
57.03459	5.6
58.02969	1.9
58.95260	0.8
59.01377	8.4
67.01540	0.8
67.01878	4.1
68.99816	3.1
71.01380	100.0
71.26052	2.0
72.01713	1.6
72.99304	9.8
73.02944	8.3
75.00877	1.0
80.99800	0.9
83.01380	9.6
83.05010	4.1
85.02949	4.8
85.06577	2.8
86.02450	1.3
86.06115	1.2
87.00871	6.4
93.03457	13.6
96.99322	4.8
99.00880	37.5
99.04503	1.1
100.07663	3.5
101.02444	1.1
105.09831	0.8
111.00883	10.4
111.04511	12.5
112.98082	1.5
112.98814	21.9
115.00365	5.9
124.98803	30.8
125.99147	1.6
128.07175	6.5
129.01917	1.6
129.05559	3.5
129.10220	1.2
131.08252	1.2
137.02386	0.9
140.98268	1.8
142.99857	59.8
154.99934	1.3
155.03494	5.3
173.00929	11.3
173.02469	1.3
173.03059	1.4
173.04526	10.6
173.09277	1.2
174.07681	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	172.098
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
58.02974	1.8
59.01405	0.4
60.99276	0.3
63.49165	0.3
64.13366	0.3
67.01887	2.8
69.03453	0.6
69.17027	3.2
70.58693	0.3
71.01400	1.0
73.02958	0.3
83.69453	0.3
89.70763	0.3
93.03456	10.1
98.20618	0.5
99.00871	0.4
108.67027	0.3
111.00903	0.7
111.04549	0.9
116.05095	0.4
117.44007	0.3
128.10820	5.5
130.08737	100.0
131.09093	2.2
144.04547	1.9
171.79347	0.3
172.04018	0.7
172.09773	14.6
173.04529	1.3
173.05995	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03476	0.2
58.02975	1.4
59.01389	0.4
59.07980	0.3
60.99324	0.3
62.03147	0.2
67.01895	2.6
67.02173	0.2
69.03471	0.7
70.62524	0.7
71.01396	1.0
72.99325	0.4
73.02971	0.3
81.03458	0.2
82.06663	0.6
83.34837	0.2
85.02985	0.2
89.45252	0.2
93.03459	8.9
99.00882	0.5
111.00945	0.4
111.04539	1.0
111.08167	0.2
112.03980	0.3
112.98806	0.6
128.10828	2.9
130.08742	100.0
131.09105	2.2
142.99887	0.4
144.04541	1.0
172.03972	0.5
172.09779	11.4
173.02394	0.4
173.04530	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1027
Annotation	(-)-Blastmycinolactol
Peak:m/z	Relative Intensity
55.01876	0.6
61.98830	0.9
65.00311	1.3
68.99816	1.5
69.42466	3.0
72.98289	0.4
83.05019	0.5
89.02448	1.2
99.00890	2.9
99.08167	0.7
99.92585	3.5
115.92064	0.9
117.60586	0.4
124.89108	0.8
125.02355	0.5
125.09721	3.7
125.64601	0.6
127.07652	4.5
127.11292	6.8
144.04539	0.5
152.98273	0.6
153.09203	2.0
171.01952	2.5
171.10263	100.0
171.13783	3.5
171.91112	0.6
172.04099	0.6
172.10649	3.3
178.88393	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1027
Annotation	(-)-Blastmycinolactol
Peak:m/z	Relative Intensity
55.01878	0.7
61.98806	1.4
65.00320	1.2
66.81523	0.4
68.99787	0.9
70.35477	1.4
71.01383	0.5
76.58818	0.5
83.05031	0.5
88.23223	0.5
89.02449	1.5
99.00877	3.3
99.08141	0.9
99.92574	4.8
108.99324	0.6
115.92068	0.8
119.44996	0.4
123.08186	0.5
124.89043	0.5
125.09720	2.9
127.03993	0.5
127.07648	5.0
127.11285	7.2
127.32513	0.4
144.04567	0.7
152.98329	0.6
153.09233	1.5
169.29999	0.4
170.99522	0.6
171.01964	2.8
171.10258	100.0
171.13835	5.9
171.91068	1.1
172.06206	0.5
172.10628	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	171.1028
Annotation	(-)-Blastmycinolactol
Peak:m/z	Relative Intensity
55.01891	0.3
59.70656	0.2
68.99837	0.3
70.41902	0.2
84.69096	0.2
84.78994	0.2
97.06604	0.5
99.00867	0.4
99.08173	0.8
99.92583	1.0
107.73502	0.2
109.06621	0.2
112.96244	0.3
123.08162	0.7
123.37572	0.2
125.09723	3.2
127.07645	1.1
127.11302	7.5
131.43562	0.3
153.09203	1.7
153.82523	0.2
170.83371	0.3
171.01993	0.8
171.10280	100.0
172.10635	3.0
193.56844	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1027
Annotation	9-Oxononanoic acid
Peak:m/z	Relative Intensity
50.99405	0.6
58.14879	0.5
59.01355	0.9
60.41064	0.5
65.00307	0.6
69.28354	4.4
71.01378	0.9
71.22611	0.5
79.53719	0.7
97.03996	0.6
98.19965	1.3
99.00875	1.4
99.08156	0.9
99.92554	3.3
104.70646	0.6
111.00847	0.6
125.09772	2.7
127.07665	3.7
127.11291	8.7
144.04535	0.7
148.89664	0.6
152.98299	0.6
153.09174	1.5
155.30627	0.6
171.01999	2.3
171.10262	100.0
171.13977	2.3
171.91136	0.7
172.04077	0.6
172.10632	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	168.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	100.0
59.03317	0.6
61.98825	0.9
68.99796	0.4
69.03443	0.7
70.02969	0.5
71.49866	0.3
85.97156	0.3
96.04552	0.3
97.02981	0.8
108.04565	0.4
117.93276	0.3
122.06135	0.6
122.89443	1.7
125.02450	6.6
125.06115	0.5
131.98914	0.3
132.86777	0.8
153.01563	0.6
168.13887	7.2
168.83583	0.4
168.98981	1.9
169.01338	1.6
169.14374	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0712
Annotation	3-(3,4-Dihydroxyphenyl)-1-propanol
Peak:m/z	Relative Intensity
57.03443	1.6
59.01367	2.0
65.00327	2.0
67.01881	4.1
68.99818	1.3
69.03455	8.5
71.01365	5.9
71.36922	2.6
73.21770	1.2
77.61338	1.3
79.05531	3.4
80.02640	2.5
81.03445	3.3
83.05025	6.9
83.69746	1.2
84.02169	6.3
85.02949	9.4
91.01888	1.4
93.03455	4.6
93.07047	2.8
95.01374	12.5
95.05035	6.9
96.02144	2.4
97.02929	8.1
97.06593	17.1
98.03730	9.1
105.07091	5.4
106.04234	2.8
107.05025	3.0
108.02170	14.7
109.02939	2.2
109.06583	16.7
110.03741	7.6
111.00877	4.3
111.07389	2.4
111.08160	47.9
112.01656	21.5
121.02920	3.2
121.06590	20.4
122.03739	3.3
123.00915	9.3
123.04525	31.8
123.08129	8.4
124.01652	32.2
124.05314	4.0
125.02404	2.1
125.06095	1.7
131.05017	1.9
134.03688	4.4
137.02451	3.6
137.06078	3.8
138.03224	3.4
139.04080	2.8
139.07643	100.0
140.08006	2.2
149.02428	5.4
149.06068	62.3
150.06331	1.9
152.01152	19.4
152.04814	1.8
160.49838	1.3
163.17316	1.3
167.00383	1.4
167.03487	14.8
167.07124	63.3
168.07469	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	167.0343
Annotation	5-Methoxysalicylic acid
Peak:m/z	Relative Intensity
51.13369	0.6
66.55496	0.7
69.68212	4.0
70.18033	0.6
80.02679	2.9
86.45630	0.6
91.01893	1.1
97.02959	1.0
98.20011	1.4
106.06551	0.6
108.02172	58.3
109.02469	1.5
110.51334	0.7
123.00861	1.1
123.04523	13.7
124.04913	0.7
152.01144	100.0
153.01465	3.1
167.03485	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	166.051
Annotation	Orthoform
Peak:m/z	Relative Intensity
66.03476	1.1
67.01860	0.4
69.35268	2.5
70.08112	0.3
80.05077	0.6
80.46424	0.3
83.01367	0.4
83.03636	0.3
86.18328	0.3
92.05054	0.8
93.03445	0.8
94.02953	0.7
95.01415	2.0
95.05015	0.5
96.00954	0.4
97.02913	0.7
98.19858	0.7
108.02174	4.3
108.04539	1.0
109.02953	0.6
111.00865	0.7
121.02940	1.8
121.05322	2.4
122.02431	0.7
122.03295	3.3
122.06119	0.6
123.00893	1.9
123.04526	3.5
123.05337	0.4
124.01656	0.4
124.04030	0.7
125.02436	0.4
135.04514	1.2
136.04201	1.0
136.05299	24.0
137.05647	0.8
138.01961	0.5
138.05586	1.0
148.04045	0.5
150.00891	0.4
151.00352	1.7
151.02658	0.5
151.03751	0.4
152.01155	8.9
166.05084	100.0
166.99847	0.6
167.03484	3.7
167.05409	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	16.8
69.03468	4.5
70.25689	6.5
71.05009	5.1
75.00866	3.8
77.03938	4.2
80.02659	5.4
81.03456	16.1
83.05032	22.4
87.00833	3.4
90.80987	2.8
92.99841	3.5
93.03464	7.1
95.05014	13.0
97.06590	32.2
98.20003	4.1
104.64915	2.8
109.02959	4.3
109.06599	8.0
111.08163	47.1
121.02949	100.0
121.06558	3.3
122.03268	3.6
133.31895	2.8
137.02431	8.0
147.04536	3.4
147.11765	3.8
149.00949	3.7
150.03220	3.6
163.11253	11.4
164.83730	4.6
164.89529	8.0
165.01901	12.6
165.05504	4.9
165.12840	69.6
173.56166	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	165.1285
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
57.03452	35.3
59.01382	1.3
61.98825	1.5
63.22214	0.5
65.00333	0.6
69.03453	2.3
70.36756	1.7
70.37117	0.9
71.05018	3.2
74.99056	0.6
75.00878	1.1
77.03979	1.6
81.03458	2.3
83.05036	7.6
84.97834	0.5
87.00864	1.0
91.56647	0.5
92.99789	1.0
93.03463	3.0
93.99346	0.7
95.01413	0.6
95.05035	1.8
97.06607	4.5
105.01933	1.0
107.05027	1.2
109.06596	4.7
111.08167	57.9
112.08487	0.9
119.05036	0.7
121.02967	43.2
121.06587	0.7
122.02504	0.7
122.03320	2.1
123.04511	0.7
132.28293	0.6
137.02440	2.4
137.09753	0.7
138.05585	0.7
147.04552	1.4
147.11757	1.3
149.00951	2.5
149.09618	0.8
150.03223	2.7
151.00371	0.6
161.29974	0.6
163.11279	2.1
164.83630	1.7
164.89552	2.0
165.01929	5.9
165.04034	0.8
165.05557	2.4
165.12854	100.0
166.05089	1.6
166.13174	4.9
182.36949	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0557
Annotation	3-Ethoxybenzoate
Peak:m/z	Relative Intensity
59.01379	52.5
71.01377	2.6
72.99313	2.9
75.00871	13.1
77.03968	4.3
87.00871	4.4
92.99812	1.6
93.03458	37.8
95.01402	1.6
105.01951	3.7
107.05060	2.6
109.02940	3.0
119.05032	10.9
120.05388	1.6
121.02953	83.6
121.05718	4.3
121.06580	32.7
122.03793	4.2
137.02461	11.9
137.06091	1.7
147.04497	6.6
149.00952	3.6
150.03236	27.6
164.89563	2.9
165.01918	13.1
165.04128	6.1
165.05556	100.0
165.09224	5.7
165.13029	1.4
166.05994	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	165.0555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01406	0.1
69.41077	0.5
69.41502	0.7
69.57079	0.2
70.82385	0.2
72.99342	0.1
75.00867	0.7
87.00866	0.2
93.03481	0.4
98.20649	0.3
105.01938	0.3
109.02946	0.2
121.02952	3.8
121.03770	0.3
121.06568	0.2
122.03737	11.4
123.04140	0.5
137.02504	0.4
149.00967	0.2
150.03217	100.0
151.03554	3.4
165.01944	1.0
165.04126	0.4
165.05550	10.3
166.06050	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0716
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
61.09621	0.8
72.00909	41.9
73.01273	0.8
75.00912	0.9
91.05552	3.6
92.12647	0.7
103.05540	7.9
119.05028	2.3
121.02956	2.1
147.04520	100.0
148.04875	3.2
150.03244	1.1
164.07159	45.8
165.07532	1.5
179.52988	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0405
Annotation	L-Xylonate
Peak:m/z	Relative Intensity
54.35351	0.3
55.01884	0.4
57.03447	3.0
58.00582	0.5
59.01375	17.4
61.84846	0.4
67.01863	0.4
68.99824	0.5
70.61307	0.6
70.61640	0.9
71.01379	10.8
72.99308	12.5
73.02940	3.1
75.00868	100.0
76.01196	1.0
78.32264	0.3
83.01375	0.8
85.02944	3.4
87.00872	92.3
88.01218	1.3
89.02448	4.4
99.00880	14.4
100.01147	0.5
101.02423	4.3
105.01930	68.1
106.02299	1.0
111.00890	0.7
111.93360	0.4
117.01937	3.1
119.03477	0.9
120.94485	0.4
121.02943	0.6
129.00981	0.6
129.01941	10.9
135.03003	1.9
136.94002	1.1
147.02986	10.3
165.04031	73.7
166.04381	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	163.1123
Annotation	4-Isopentylphenol
Peak:m/z	Relative Intensity
61.98822	3.2
62.48965	1.1
65.33978	1.0
76.49372	1.2
91.01877	1.2
106.92889	1.2
114.77948	1.1
116.92091	6.1
119.05025	33.0
142.47903	1.0
147.08138	1.7
157.34526	1.1
163.00395	2.0
163.03986	3.2
163.11282	100.0
164.11577	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	163.0401
Annotation	2-Hydroxycinnamic acid
Peak:m/z	Relative Intensity
60.08150	0.2
65.00838	0.2
70.98068	0.3
91.05540	0.4
93.03457	1.6
101.02399	0.2
109.28308	0.2
117.03493	0.2
119.05029	100.0
119.70282	0.2
120.05365	3.7
121.02964	0.4
122.74862	0.2
135.04567	0.2
163.04041	7.1
163.06110	0.3
164.04413	0.3
184.45184	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.04
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67624	0.2
68.95786	0.2
69.49411	0.3
69.49820	1.2
91.05568	0.3
93.03445	2.4
97.89660	0.2
114.68614	0.2
117.03468	0.5
119.05017	100.0
120.05357	4.2
121.02972	0.3
147.18199	0.3
163.04013	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	163.04
Annotation	2-Hydroxycinnamic acid
Peak:m/z	Relative Intensity
58.30560	0.3
66.59246	0.3
70.14632	0.3
70.98588	0.7
74.74060	0.3
89.53687	0.3
93.03457	1.8
108.88451	0.3
109.14088	0.3
119.05021	100.0
120.05358	4.1
163.04005	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	163.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54512	0.2
61.15540	0.2
63.85171	0.2
67.81544	0.2
70.08275	0.7
79.81107	0.2
84.19333	0.2
93.03455	1.6
119.05035	100.0
120.05368	3.8
121.02953	0.3
135.00891	0.2
143.72382	0.2
147.04594	0.3
163.04019	8.1
164.04344	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
60.69799	0.2
69.35759	0.2
69.36028	0.5
69.36430	1.2
71.01382	0.3
74.02319	0.2
78.48189	0.2
91.05536	0.3
93.03452	2.0
96.67467	0.2
98.19888	0.4
101.02438	0.4
110.13245	0.2
117.03454	0.3
119.05022	100.0
120.05353	2.6
121.02985	1.1
134.03683	0.2
135.04495	0.7
145.44881	0.2
147.04549	0.3
149.02428	0.7
149.03647	0.2
163.00375	0.6
163.04002	7.7
164.04375	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.023
Annotation	Tiopronin
Peak:m/z	Relative Intensity
53.97554	2.3
57.03448	8.2
59.01381	11.1
60.01719	4.2
69.71883	14.4
71.01355	5.4
72.01742	5.2
72.99300	2.5
82.60877	2.3
84.01744	2.6
84.04545	78.8
85.02955	2.8
86.03339	5.6
89.02456	3.4
98.19938	2.8
101.02424	3.3
111.05269	2.8
115.92062	26.2
118.03051	3.4
118.03824	4.4
119.05028	74.4
121.02962	5.5
124.04856	5.7
132.03865	3.9
134.03291	11.7
149.46021	2.4
162.02808	100.0
162.04890	5.0
162.83926	7.0
162.89363	5.3
163.02876	3.6
163.04030	7.7
163.06203	2.8
177.13098	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	161.0608
Annotation	Beta-dolabrin
Peak:m/z	Relative Intensity
54.27753	0.3
55.01869	0.4
57.03440	1.0
58.00595	0.4
59.01380	5.2
59.74512	0.2
65.00313	0.7
69.03450	0.5
71.01388	4.0
72.11974	0.3
72.99300	0.5
73.02943	3.0
73.70548	0.3
78.61185	0.3
81.03454	0.8
82.67654	0.3
83.01391	1.7
85.02944	6.0
87.00867	0.8
89.02448	0.8
89.03968	0.6
91.05524	0.4
95.05008	0.7
97.02955	0.7
99.04501	0.4
101.02419	0.5
103.05535	2.6
104.02683	1.4
105.03455	0.8
105.07098	24.3
106.07424	0.8
113.02459	0.5
115.92055	0.3
117.03473	2.3
118.04285	0.8
119.05037	0.3
123.04533	2.3
125.02421	0.4
131.03493	2.7
131.04988	0.6
133.02959	10.3
133.06593	5.2
146.03734	6.5
149.06062	0.6
151.07645	22.6
152.07967	0.7
161.02444	52.7
161.04662	4.8
161.06065	100.0
162.02777	1.7
162.06418	4.3
177.05544	0.5
178.02708	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	161.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
63.21406	0.2
65.00328	0.4
77.03970	0.6
89.03975	1.2
95.05012	0.9
105.03453	0.7
117.03471	2.6
118.03742	0.2
123.04519	3.3
133.02951	17.8
134.03281	0.6
153.74942	0.2
161.02432	100.0
162.02776	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	161.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30008	0.2
57.03432	0.7
58.00601	0.2
59.01372	2.7
65.00323	0.4
69.03463	0.3
69.33242	1.4
69.88325	0.2
70.67023	0.2
71.01369	1.9
72.82200	0.2
72.99293	0.3
73.02939	1.3
77.03954	0.6
81.03445	0.5
83.01376	0.8
85.02943	3.3
87.00856	0.4
89.02454	0.7
89.03970	1.2
95.05009	0.8
96.18245	0.2
101.02437	0.2
105.03415	1.0
113.02412	0.3
117.03460	3.6
123.04515	4.3
131.03525	1.3
133.02948	19.4
134.03268	0.7
161.02428	100.0
162.02773	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	159.0451
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.45745	0.4
62.48548	0.4
65.00317	0.9
67.43460	0.4
69.56013	0.9
69.56417	1.7
77.36854	0.4
98.20695	0.4
102.04753	3.7
103.05528	11.8
104.05855	0.5
110.66444	0.4
115.05524	0.5
117.99649	0.4
130.04242	41.0
131.05118	3.4
149.06079	14.0
150.06421	0.6
159.04506	100.0
160.04834	4.1
168.97693	0.4
175.03964	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17001	0.6
55.01887	0.9
57.03445	11.0
58.02974	40.4
59.01378	8.2
69.39523	4.0
69.39906	0.9
70.02979	1.2
71.01388	5.3
71.05006	0.7
72.04551	0.9
72.99303	1.7
73.02946	4.6
74.02471	5.6
81.03482	1.1
83.01392	1.7
84.04548	23.4
85.02952	6.6
86.06110	1.1
87.00862	1.2
88.04041	100.0
89.02451	1.1
89.04385	1.3
93.98826	0.7
98.02480	2.0
98.06112	8.7
99.00867	1.3
99.04525	4.5
99.06491	0.6
100.04077	0.8
101.02444	3.3
112.04051	0.9
113.02429	0.9
114.05607	5.0
116.03536	1.1
118.05096	12.3
119.55491	0.6
128.03557	0.8
130.04123	1.1
130.05101	19.4
131.03496	2.0
133.20113	0.6
134.65437	0.6
142.05086	2.0
159.03271	1.2
160.04164	4.4
160.06151	27.0
161.02434	1.1
161.04575	4.7
168.81477	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.045
Annotation	Unknow
Peak:m/z	Relative Intensity
61.65614	0.3
65.00316	0.9
73.02940	0.5
89.03961	0.3
97.15671	0.2
99.92610	0.3
102.04742	4.1
103.05537	11.9
104.05868	0.3
115.05543	0.8
116.92831	0.7
130.04239	42.4
131.05093	3.9
141.67680	0.4
147.04474	0.4
149.06070	14.0
150.06326	0.5
159.04503	100.0
160.04842	4.6
169.27713	0.3
175.03801	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.1186
Annotation	DL-2-Aminooctanoic acid
Peak:m/z	Relative Intensity
55.01867	1.8
57.03437	1.9
57.27123	0.9
58.02974	1.5
59.01369	3.5
64.01987	0.8
68.99807	2.9
69.03436	1.6
71.01384	10.2
71.48891	1.1
72.99325	2.0
73.02948	11.1
75.00862	1.3
79.95724	2.4
83.01366	3.0
85.02953	5.2
85.06577	5.4
87.00877	5.8
94.80672	1.0
95.01418	1.2
97.02973	1.3
97.06565	1.8
99.00871	4.7
99.92586	1.7
101.02446	5.1
111.00868	7.8
113.02421	3.0
114.94929	1.4
116.07185	5.3
116.92867	5.3
129.01939	7.7
129.05554	3.7
130.06638	1.1
140.59019	0.9
158.03520	1.3
158.04640	1.8
158.06178	1.3
158.08250	6.0
158.11853	100.0
158.89297	1.4
159.03008	12.1
159.04500	7.1
159.06606	1.1
159.10298	1.9
159.12177	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	155.0714
Annotation	AC1OGP93
Peak:m/z	Relative Intensity
52.27208	1.9
55.01871	3.8
57.03444	2.6
58.00596	20.2
59.01379	84.0
67.01879	3.5
68.99821	3.2
70.81602	3.1
70.81940	4.6
71.01380	18.5
71.05038	4.1
72.02169	5.1
72.99294	6.3
79.05499	2.7
81.03441	3.4
81.07088	4.4
83.01410	3.1
83.05020	17.7
84.02180	13.5
85.02948	2.7
85.06615	2.0
86.00096	23.2
93.03470	3.2
95.01397	3.0
95.05026	49.1
97.06609	23.3
99.08159	52.4
107.05022	100.0
108.02171	3.7
108.05342	5.6
109.05911	2.9
109.06564	13.9
111.00876	3.4
111.04514	4.8
111.08179	5.4
112.01643	9.2
113.06070	21.9
114.05626	6.2
125.06085	33.2
127.00382	6.2
127.07653	48.1
137.06076	7.5
140.01166	6.4
144.00655	4.2
154.99918	3.3
155.03589	3.7
155.07153	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	155.108
Annotation	60046-50-6
Peak:m/z	Relative Intensity
55.01875	1.8
55.25032	0.6
55.35245	0.6
59.01360	0.7
67.01898	1.6
69.53973	4.4
70.02981	0.7
71.01366	0.7
73.02950	3.3
83.01379	3.4
83.05035	0.8
84.04547	0.7
85.02955	2.8
93.03447	1.3
98.19942	1.4
106.23983	0.7
111.00863	2.1
111.04525	1.0
111.08177	1.0
114.05611	1.9
114.73397	0.6
120.44308	0.6
127.00378	2.1
135.27924	0.7
137.09717	3.8
140.01157	3.4
154.99887	2.0
155.03548	1.6
155.10783	100.0
155.86557	3.9
156.06639	1.3
156.11095	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	154.0636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.9
57.03464	0.6
58.40480	0.5
59.01377	0.9
61.98840	2.6
65.00317	0.8
66.03498	2.0
67.01893	1.8
68.25409	0.5
68.99807	0.9
69.03444	0.6
69.58890	3.7
71.01374	0.7
72.99327	0.7
74.12360	0.5
81.03471	1.3
82.02999	2.6
83.01385	5.7
83.05043	1.2
85.02975	1.1
86.63738	0.5
93.03470	2.5
93.04571	0.6
95.01405	1.1
95.05036	18.9
96.96005	3.7
96.96967	0.7
98.00124	0.6
99.93270	0.6
109.02967	2.1
110.02547	1.3
110.03278	6.9
111.00947	2.8
111.04551	2.1
111.08173	0.6
112.01679	1.1
112.04060	1.3
113.02509	0.7
113.06060	0.7
118.89974	0.8
118.95865	0.5
123.00886	1.8
124.04053	4.8
124.04820	0.8
127.00403	2.9
127.04005	0.8
133.06810	0.6
136.04054	2.0
139.04021	100.0
140.01175	4.9
140.04359	3.7
145.58182	0.5
149.67014	0.5
153.86874	73.2
154.01404	1.6
154.02425	1.4
154.05136	2.4
154.06358	25.6
154.86876	7.6
154.99889	2.5
155.03592	1.2
155.06804	0.7
155.10786	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67707	0.6
61.98825	3.3
65.00322	1.9
65.03963	0.7
66.03486	2.8
68.99840	1.5
69.03447	1.9
71.05032	0.6
72.43947	0.7
80.02693	0.7
80.22382	0.6
80.64314	0.6
81.03471	3.7
82.02996	2.3
83.01403	1.6
85.02934	0.8
91.01917	1.1
92.05117	0.8
95.01369	1.2
96.69347	0.6
97.02964	1.1
97.06593	10.2
98.19860	1.3
99.08172	2.2
107.01428	1.2
108.02187	8.8
109.02959	100.0
109.06605	2.0
110.00102	7.8
110.02547	1.6
110.03300	3.7
112.04031	0.8
112.98582	0.8
118.90001	1.3
123.00883	1.1
123.04538	5.1
124.04046	3.7
124.93665	0.7
124.98768	1.0
125.02480	5.6
132.08409	0.8
135.04507	1.8
136.04030	1.2
137.09697	1.3
137.99606	9.4
138.03238	1.1
151.00410	1.9
151.11270	0.7
153.01945	23.9
153.05582	4.8
153.09229	1.1
153.12863	29.1
153.86877	70.4
153.98099	0.7
154.01360	1.6
154.02449	0.9
154.05113	2.4
154.13155	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	153.0558
Annotation	3,4-Dihydroxyphenyl ethanol
Peak:m/z	Relative Intensity
53.90671	0.2
54.49413	0.2
65.00301	0.4
65.03957	0.5
66.03490	1.4
66.79906	0.2
67.01882	0.5
67.03825	0.6
68.99813	0.5
69.03459	0.5
70.07932	1.0
80.02674	0.6
80.96505	0.3
81.03455	2.4
82.02992	0.8
83.01402	0.8
83.05013	0.3
91.01895	0.3
91.36312	0.2
93.03472	1.0
95.01382	1.1
95.05024	2.1
96.95985	0.3
96.99341	0.4
97.02985	0.5
98.02534	0.3
105.03473	0.4
107.05048	0.4
108.02176	3.0
109.02957	26.6
109.06584	0.6
110.00092	2.8
110.03291	1.0
112.04047	0.3
121.02966	0.6
122.03750	2.4
123.04530	100.0
124.01672	0.4
124.04028	1.9
124.04858	3.9
125.02480	2.1
125.06089	0.3
135.04562	1.4
136.04047	1.0
137.99603	4.4
138.03188	0.4
138.99921	0.2
151.00362	0.6
153.01952	8.0
153.05576	15.9
153.09190	0.3
154.02470	0.3
154.05090	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0354
Annotation	4-Nitroanisole
Peak:m/z	Relative Intensity
56.28905	0.2
57.64370	0.2
60.95351	0.2
65.79591	0.2
66.03483	1.4
68.99835	0.3
69.03490	0.2
70.33707	0.6
70.34072	0.5
80.05053	0.2
81.03455	0.7
82.02937	0.3
97.02921	0.2
108.02172	1.8
108.04552	0.8
108.53588	0.2
109.02951	15.2
110.00084	0.9
121.02984	1.6
121.53963	0.2
122.03739	43.2
123.00864	0.3
123.04029	1.4
125.02425	0.9
137.01996	0.6
137.99608	1.6
151.00391	0.5
151.87392	0.9
152.03529	100.0
153.01981	3.6
153.03906	3.7
153.09201	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0353
Annotation	4-Nitroanisole
Peak:m/z	Relative Intensity
51.68825	0.4
55.96367	0.4
57.76303	0.4
66.03484	7.2
71.50672	0.7
79.95755	0.4
81.03434	1.2
96.99357	0.3
97.02905	0.3
107.04989	0.4
108.02179	2.3
108.04569	0.9
109.02946	14.6
110.00053	0.6
121.02937	1.1
122.03733	42.5
123.04044	1.3
124.03989	0.4
125.02474	0.5
135.04500	1.4
137.02005	0.7
137.05577	0.6
137.99570	1.4
152.03514	100.0
153.01939	4.3
153.03867	3.8
153.05544	1.0
174.53270	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0116
Annotation	4-Chlorothreonine
Peak:m/z	Relative Intensity
54.43122	0.8
55.80760	0.9
66.03479	3.9
71.49939	1.5
71.62579	0.9
72.33925	0.8
80.02676	12.5
87.37311	0.8
95.01380	1.2
108.02174	100.0
109.03056	9.0
110.00115	3.0
119.02551	0.9
124.01638	1.0
125.02482	0.9
125.47871	0.9
135.04492	1.2
137.01982	7.5
137.99554	2.0
152.01154	54.9
152.03487	1.8
152.07162	1.3
153.01761	3.2
153.03017	1.6
153.05533	1.0
166.02881	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0401
Annotation	4-Methyl-2,6-dihydroxy-benzaldehyde
Peak:m/z	Relative Intensity
55.01867	0.8
59.01377	4.5
65.03974	2.8
66.03481	4.6
67.01908	1.8
68.16000	0.6
68.99809	1.3
69.03461	1.4
71.01382	7.8
71.48957	0.8
73.02947	1.9
77.03979	2.5
79.01881	1.3
79.05527	3.5
80.02699	1.0
81.03452	10.2
85.02940	0.8
87.00903	0.9
89.02440	4.6
89.03983	0.8
91.02892	1.7
93.03449	4.1
95.01396	2.3
95.05028	8.7
101.02431	3.5
105.03456	10.7
107.01389	1.6
107.05031	9.7
108.02172	27.9
108.02927	1.4
108.04569	1.6
109.02964	13.5
110.03262	0.9
121.02956	4.9
122.03741	15.7
123.00879	2.0
123.04522	100.0
124.01655	1.1
124.04874	3.5
133.02982	7.7
134.03714	0.9
136.01662	19.7
137.02423	1.4
149.02422	2.6
150.03189	1.9
151.03996	49.8
151.04903	1.9
151.06044	1.3
151.07603	1.0
152.01186	1.4
152.03372	1.0
152.04430	1.4
154.02762	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	151.04
Annotation	4-Methyl-2,6-dihydroxy-benzaldehyde
Peak:m/z	Relative Intensity
54.61459	0.9
59.01358	2.1
65.00344	1.2
65.03949	2.4
65.25182	0.9
66.03487	10.7
67.01875	1.3
68.99811	1.3
69.99893	3.4
71.01376	3.4
77.03954	4.6
79.01879	1.2
79.05520	2.7
80.02665	1.6
81.03447	12.3
83.01352	0.9
85.20077	1.0
89.02433	1.5
93.03441	5.5
95.01401	2.3
95.05028	12.1
101.02425	1.3
105.03466	15.8
106.04243	1.2
106.86241	0.8
107.01368	1.5
107.05028	12.2
107.22979	0.8
108.02170	31.5
108.04533	1.3
109.02967	9.4
121.02960	5.2
122.03757	14.0
123.00884	1.7
123.04523	100.0
124.01624	1.4
124.04860	3.1
133.02943	20.0
134.03694	0.9
136.01668	27.0
143.03548	0.8
149.02441	1.7
150.03206	2.4
151.03999	60.6
151.07658	3.8
152.03357	1.2
152.04449	2.1
152.07103	0.9
154.02686	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	150.0322
Annotation	gamma-Chloronorvaline
Peak:m/z	Relative Intensity
59.01371	2.2
60.01700	1.0
64.31709	0.5
71.01382	0.6
71.50627	0.8
79.01912	0.6
93.03467	0.8
95.01353	0.6
95.52930	0.5
105.62551	0.5
106.06606	1.1
107.01379	1.3
107.05042	1.3
109.02956	0.9
121.02858	0.6
122.03741	76.3
123.00902	0.6
123.04133	2.4
136.01646	4.7
136.12589	0.6
150.03221	100.0
151.03688	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	149.0609
Annotation	Methyl phenylacetate
Peak:m/z	Relative Intensity
54.43498	0.8
59.01377	1.9
65.00295	0.7
66.66581	0.7
70.28215	3.0
71.01347	1.6
71.08485	0.8
71.08917	0.7
72.99300	1.0
87.00884	1.1
89.02450	2.3
93.03457	2.7
106.04255	1.0
121.02957	9.3
134.03754	100.0
135.04100	5.5
149.02454	4.9
149.06041	4.1
150.03163	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.3
61.29892	0.9
62.78340	0.8
69.38055	1.5
69.38464	5.4
72.99290	1.9
73.02951	0.9
74.89134	0.8
87.00874	1.5
89.02431	2.7
93.03467	2.4
105.50723	0.8
106.04308	1.0
121.02946	5.5
134.03743	100.0
135.04079	5.0
149.02405	3.7
149.06061	4.4
150.00208	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0455
Annotation	L-ribulose
Peak:m/z	Relative Intensity
54.59096	1.6
58.09200	1.4
59.01376	10.7
61.06330	1.3
69.03449	2.8
69.55209	7.9
71.01381	31.4
72.01077	1.3
72.99312	3.1
73.02551	2.6
73.02942	30.6
75.00871	15.8
85.02941	2.1
87.00877	11.7
89.02440	100.0
90.02785	2.2
94.92755	1.5
101.02435	1.7
103.04020	8.4
131.03488	10.4
149.04546	37.2
150.04822	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	149.0244
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
50.78120	1.0
52.68632	0.8
59.01360	4.0
65.03956	1.9
67.01884	2.9
69.79183	5.3
71.01381	3.3
72.99312	2.0
73.88506	1.0
77.03955	1.8
87.00871	2.8
89.02415	5.8
93.03448	32.1
94.02931	1.0
94.03788	1.8
95.01428	1.0
95.05054	2.1
96.36061	1.1
105.03439	2.1
105.58756	0.9
121.02946	77.3
122.03292	2.7
134.03731	21.2
135.04108	2.0
137.02528	1.3
139.03999	100.0
140.04340	5.8
149.02426	83.0
149.04414	1.7
149.06075	3.9
150.02739	5.7
165.01950	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	147.0452
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
56.95985	6.2
57.03464	6.7
59.01379	74.8
61.98800	7.1
71.01379	57.6
71.50661	7.7
72.99309	11.4
75.00865	31.1
84.99305	10.5
85.02939	10.1
87.00875	6.3
89.02444	10.2
99.00861	11.2
103.05519	9.4
111.00824	8.5
119.05017	30.6
129.01912	14.3
135.04510	11.8
147.01950	6.9
147.03285	10.8
147.04504	100.0
148.03906	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	145.087
Annotation	2-Hydroxyheptanoic acid
Peak:m/z	Relative Intensity
51.64910	0.8
53.98564	0.8
70.99004	1.8
73.36924	0.7
73.42239	0.7
83.05019	4.0
97.06577	2.6
99.08153	100.0
100.08497	3.2
101.06122	1.4
117.03469	4.6
118.03025	1.0
127.07628	1.0
145.02977	2.7
145.04941	6.2
145.08702	32.5
146.02466	3.4
146.09047	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	146.0459
Annotation	L-Glutamate
Peak:m/z	Relative Intensity
51.80462	1.1
54.08731	1.1
57.03429	1.1
59.01378	7.5
59.05910	1.1
69.39273	1.1
70.60658	1.3
70.77341	2.5
71.01373	3.1
75.00881	1.2
85.02928	1.8
86.46300	1.4
87.13938	1.2
95.88615	1.1
102.05608	100.0
103.05933	2.3
111.88426	1.1
128.03542	36.4
129.03857	1.2
146.04604	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	142.9986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	25.7
53.95186	2.7
54.17022	3.3
55.01865	3.3
59.01366	14.7
68.99830	5.8
70.88512	7.4
70.88843	3.6
71.01379	66.9
72.99302	3.8
77.35874	2.9
80.99817	8.7
83.01386	11.0
85.02944	7.0
86.92613	3.2
87.00879	13.5
96.99315	29.3
103.31334	3.0
112.98812	42.7
115.00384	7.8
119.49971	2.8
124.98804	79.9
125.99100	5.3
140.98273	16.0
142.99858	100.0
143.12296	3.0
144.06667	4.7
161.92955	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	143.035
Annotation	2-Methyleneglutarate
Peak:m/z	Relative Intensity
53.00297	13.3
55.01857	15.4
57.03439	6.3
59.01367	27.5
63.14340	4.0
63.85208	4.1
67.01873	5.7
69.03447	18.0
69.39314	27.1
71.01379	100.0
71.05007	6.1
72.99306	9.3
81.03452	8.2
82.02994	4.8
82.31581	4.6
83.01377	68.8
85.02934	36.2
87.00865	29.7
87.04520	8.0
91.26965	4.1
95.01364	5.1
96.99310	14.6
97.02939	18.3
99.00880	7.3
99.04525	7.0
99.11674	4.0
109.60963	4.0
112.98817	17.9
113.02411	7.7
115.00363	33.2
124.98807	48.6
125.02444	30.4
139.18617	4.3
140.98265	4.4
142.99857	57.5
143.02420	4.7
143.03506	24.9
143.10747	6.1
144.04575	6.7
144.06624	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	140.0719
Annotation	Ethosuximide
Peak:m/z	Relative Intensity
55.01852	0.4
67.01864	0.7
68.99807	1.4
69.03456	0.9
85.02961	1.1
88.19565	0.5
95.01419	0.9
97.02946	0.5
99.00892	0.5
99.37627	0.4
111.00887	0.7
112.04058	0.6
113.02429	0.8
140.07178	100.0
141.01935	1.6
141.07539	5.1
143.02274	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.9986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	22.2
56.31982	2.9
59.01366	9.4
68.99811	9.2
71.01378	65.9
71.06019	6.6
72.99288	3.8
80.99808	5.3
81.93658	3.3
83.01391	8.8
85.02948	7.4
87.00877	17.1
96.99310	25.8
97.02946	5.3
99.00870	5.7
112.98809	39.0
115.00338	7.8
124.98803	86.7
125.02406	3.2
140.98302	12.0
142.99854	100.0
144.00116	3.4
150.85994	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	139.04
Annotation	2,4,5-Trihydroxytoluene
Peak:m/z	Relative Intensity
55.01880	19.9
67.01892	17.7
68.99814	8.9
69.03465	4.4
69.45376	9.8
71.01378	2.9
79.95733	2.3
83.01376	16.1
83.05025	3.5
84.17133	1.5
93.03455	46.7
94.03763	1.5
94.98100	2.5
95.01376	4.6
95.05037	4.3
96.99260	1.4
97.02941	2.9
111.00880	69.1
111.04516	5.7
112.01144	3.2
112.04047	1.7
121.02075	1.9
121.02946	31.8
122.03394	1.5
123.00867	3.8
124.01625	11.0
137.02417	3.4
138.03162	1.4
139.00381	32.1
139.03046	4.1
139.04007	100.0
140.03482	3.8
140.04381	5.4
140.07156	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	138.0198
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
56.25949	0.6
69.77963	1.7
69.78360	1.3
79.57104	0.7
93.18196	0.5
108.02171	80.8
109.02490	3.5
111.00852	0.8
138.01967	100.0
139.02313	4.7
139.03958	0.6
139.27560	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0562
Annotation	Myrothenone B
Peak:m/z	Relative Intensity
54.58346	1.0
54.77491	1.2
64.01883	1.2
71.26556	2.9
75.07919	1.0
86.16501	1.0
108.02179	13.4
111.00882	2.0
112.48927	1.1
122.02559	2.1
123.03274	69.3
124.03604	2.3
138.01976	16.5
138.05620	100.0
139.05962	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	138.0198
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
50.69138	0.4
53.88134	0.4
55.01881	0.5
56.08394	0.5
57.02159	0.5
67.01878	0.5
69.75829	1.3
69.76232	1.0
93.03476	1.0
94.03799	2.9
108.02180	75.3
109.02518	2.9
111.00883	2.0
127.25329	0.5
138.01979	100.0
139.00369	0.5
139.02327	4.3
139.29216	0.5
152.86880	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0374
Annotation	4-Methylbenzoate
Peak:m/z	Relative Intensity
55.59340	2.7
61.82220	2.6
72.01709	5.7
76.74559	2.6
80.84907	2.8
93.03437	7.2
95.04955	2.8
96.05354	4.4
98.19908	5.3
106.04237	9.0
107.03639	4.4
107.05009	9.1
116.00648	7.2
134.03793	74.8
134.04715	16.5
134.89464	10.9
135.04532	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	134.0473
Annotation	Adenine
Peak:m/z	Relative Intensity
63.57246	0.4
65.01437	1.6
68.02534	0.8
70.97363	0.8
72.01697	0.6
80.02548	0.4
92.02547	8.7
102.56252	0.4
107.03630	36.7
108.03999	1.0
116.00703	0.7
133.23613	0.3
134.04721	100.0
135.02966	0.4
135.04515	6.0
145.50439	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0453
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
66.45181	0.5
68.09178	0.4
69.71761	2.7
75.00883	1.6
79.99959	0.5
89.03987	1.5
89.72500	0.4
91.05556	1.3
93.03462	3.5
95.05054	1.0
103.49721	0.5
106.04256	4.7
107.05039	21.9
108.02181	4.2
108.04637	0.5
108.05354	1.0
117.03490	1.6
123.04529	2.9
134.02730	0.9
134.03758	17.5
134.86559	0.9
134.89450	1.0
135.04532	100.0
136.01682	1.2
136.04013	2.3
136.04886	4.8
138.03191	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0375
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41373	1.0
60.70811	1.4
62.90001	1.3
62.96550	1.1
67.60787	1.1
69.23753	11.4
70.19096	1.3
71.01376	2.2
72.01712	2.8
72.99277	1.3
74.96653	1.4
75.00871	2.2
86.22199	1.4
90.87310	1.2
91.05546	2.0
93.03466	14.3
95.01426	1.5
96.05388	1.5
98.19900	2.2
106.04285	2.4
107.03613	2.8
107.05016	7.1
108.02178	6.6
116.00737	6.6
132.19965	1.2
134.01637	1.8
134.03711	29.9
134.04720	7.1
134.89459	6.0
135.04535	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	133.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88713	1.0
59.01384	1.4
63.27562	1.4
65.00320	2.3
69.16787	10.5
69.17043	1.6
71.01384	80.0
72.99318	20.4
77.03967	18.3
87.00890	2.1
89.02467	7.9
89.03954	3.3
92.91100	1.3
93.03439	2.1
95.05031	16.5
104.02699	1.9
105.03467	41.7
106.03778	1.7
110.08535	1.1
115.00375	100.0
121.02945	2.6
123.04526	3.1
132.02179	11.3
133.01424	21.8
133.02943	43.9
134.03259	1.3
142.44516	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	133.0144
Annotation	Malic acid
Peak:m/z	Relative Intensity
59.01368	2.3
62.60015	0.8
65.00346	0.8
69.19048	6.7
71.01379	80.8
72.01722	2.0
72.99306	23.3
73.99663	0.7
77.03964	8.5
80.60947	0.7
87.00862	1.7
89.02439	9.7
89.03959	1.4
93.03458	0.9
95.05027	6.1
98.20674	1.5
105.03462	17.3
108.73801	0.8
115.00372	100.0
116.00729	2.6
121.02905	0.7
123.04482	0.7
132.02153	4.1
133.01430	24.2
133.02956	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	133.0295
Annotation	Phenylglyoxal
Peak:m/z	Relative Intensity
52.13972	0.9
65.00333	1.3
70.95071	2.1
71.01381	74.3
72.01713	1.8
72.99313	18.0
77.03963	14.8
87.00903	2.0
89.02460	7.1
89.03974	4.3
92.21545	1.0
93.02105	1.0
93.03464	3.0
95.05028	16.0
95.34893	1.0
98.19939	1.2
104.02729	1.2
105.03461	38.8
106.03829	1.6
111.82453	1.2
115.00372	100.0
116.00692	3.7
119.33503	1.0
121.02972	2.3
123.04521	1.9
132.02159	9.0
133.01436	21.3
133.02957	38.8
134.03276	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	133.0144
Annotation	Malic acid
Peak:m/z	Relative Intensity
59.01371	1.9
64.35000	1.0
69.55137	6.0
71.01380	81.3
72.01707	1.8
72.99305	23.4
77.03957	4.5
87.00848	2.1
89.02438	7.5
89.03960	1.8
93.77612	1.0
95.05016	5.3
98.20653	1.3
99.28825	1.0
105.03457	10.6
106.03880	1.0
113.89470	1.0
115.00365	100.0
116.00672	3.2
127.77888	0.9
132.02158	2.8
132.43167	0.9
133.01427	19.3
133.02939	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	133.0143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.65543	1.4
61.10045	1.4
63.33892	1.2
70.96910	2.8
71.01379	77.8
72.01723	2.2
72.99308	18.1
81.59576	1.2
89.02429	10.3
115.00372	100.0
116.00679	3.8
133.01428	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	133.0144
Annotation	D-(+)-Malic acid
Peak:m/z	Relative Intensity
56.66744	0.9
59.01368	1.3
62.38540	0.9
63.44706	0.9
70.16850	0.9
71.01385	84.0
72.01720	1.4
72.99311	20.2
73.64912	0.8
77.03961	1.1
78.92673	0.8
79.99363	0.8
87.00845	1.4
89.02454	6.7
105.03457	2.6
115.00381	100.0
116.00697	3.8
128.55882	0.9
133.01450	20.3
133.02971	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	133.0144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21325	0.9
59.01369	1.3
61.48992	0.8
70.76521	1.8
70.76832	1.1
71.01379	76.9
72.01733	1.2
72.99302	18.7
77.03995	1.1
87.00867	1.0
89.02437	7.2
95.05055	1.9
103.45869	0.9
105.03477	5.9
115.00372	100.0
116.00706	3.1
132.02193	2.2
133.01430	17.3
133.02953	6.1
134.03722	6.0
134.04646	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	133.0144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.1
70.01958	2.6
70.02309	1.9
71.01384	76.3
72.01727	1.1
72.99311	15.2
77.03967	12.8
87.00856	2.2
89.02435	6.3
89.03987	2.7
93.03489	1.7
95.05025	14.3
105.03461	29.6
106.03822	1.3
106.77313	1.1
115.00378	100.0
116.00713	3.0
121.02938	1.4
123.04539	2.8
132.02187	8.7
133.01422	21.3
133.02946	33.1
134.03230	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	129.0195
Annotation	Acetylpyruvate
Peak:m/z	Relative Intensity
55.01866	7.1
57.03444	19.2
57.92249	2.7
67.01888	57.6
68.99806	9.8
69.52532	4.2
69.52942	9.9
71.01392	5.2
72.99315	3.7
73.02942	2.8
76.70122	2.4
83.01376	4.0
85.02941	9.4
86.10532	2.1
87.00864	3.3
88.04060	2.2
98.20674	3.9
99.00882	2.4
101.02448	4.0
129.01947	15.8
129.03912	2.5
129.07516	3.9
130.08736	100.0
134.64529	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	129.0558
Annotation	1-Oxa-2-oxo-3-hydroxycycloheptane
Peak:m/z	Relative Intensity
67.01913	32.5
71.25748	36.9
71.26101	45.6
72.37543	27.8
107.33348	29.9
129.01891	31.6
129.05544	100.0
130.08742	76.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20684	0.9
58.94268	1.1
59.79493	1.0
70.31771	4.0
84.56829	0.9
85.02956	3.4
87.04494	1.1
130.08731	100.0
131.03452	1.4
131.09065	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	129.0195
Annotation	Acetylpyruvate
Peak:m/z	Relative Intensity
54.81239	3.8
55.01880	13.0
57.03461	42.5
67.01897	100.0
70.03705	13.7
70.04079	3.4
71.01380	6.1
79.31007	3.6
83.01405	6.9
85.02964	7.2
88.04044	12.9
94.36241	3.2
113.11243	3.7
121.01093	3.7
129.01949	14.0
130.08743	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	121.0296
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
50.90673	0.9
64.99004	1.0
65.24094	0.8
66.03481	1.4
68.98235	0.8
69.38469	4.8
69.38876	1.8
91.01896	1.2
93.03459	6.9
94.02971	10.6
102.84370	0.8
107.60711	0.9
108.02171	3.7
121.02954	100.0
122.02473	7.2
122.03309	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	121.0296
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
51.09800	0.3
58.84605	0.3
69.18799	2.6
88.01154	0.3
91.01897	1.5
92.02695	0.6
93.03442	3.1
94.02988	1.5
95.01391	1.0
108.02173	4.3
121.02955	100.0
122.02470	1.2
122.03301	5.5
139.67578	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0504
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
69.67204	0.7
91.05532	1.1
93.03460	5.8
119.05034	100.0
120.05380	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	119.0504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19660	0.5
69.53757	3.3
70.77348	0.6
91.05543	1.9
93.03460	5.1
98.20624	1.3
107.85635	0.6
117.03469	0.9
119.05036	100.0
120.05350	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	121.0295
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
58.64349	1.5
68.70710	1.4
69.28318	13.8
79.79764	1.5
93.03459	7.4
94.02965	8.0
99.24551	1.9
108.02199	2.9
116.89067	1.6
121.02950	100.0
122.02469	7.3
122.03314	4.5
128.48282	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	119.0504
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
58.26634	0.3
59.01376	1.6
66.96770	0.4
70.63331	1.3
71.01382	1.2
72.99312	0.8
73.12689	0.4
91.05523	1.2
93.03463	5.4
100.10756	0.3
104.02683	0.5
117.03465	0.8
118.92713	0.9
119.05033	100.0
120.05361	6.2
134.88763	0.4
135.25224	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0503
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
55.26824	0.5
59.01368	0.7
69.40019	1.3
69.40427	2.5
81.46664	0.5
83.54600	0.5
88.25619	0.5
91.05549	1.2
93.03463	5.3
101.92381	0.9
104.02664	0.6
105.21783	0.6
108.02852	0.5
113.38470	0.5
115.79620	0.6
118.92668	2.3
119.05024	100.0
120.05353	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	119.0503
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31569	0.4
51.48726	0.4
57.58986	0.4
59.01377	1.1
63.52232	0.5
70.31351	0.8
74.46760	0.5
91.05547	1.6
93.03455	4.8
97.20332	0.5
98.20025	0.5
117.03461	1.1
118.92699	1.4
119.05026	100.0
120.05369	6.2
120.59294	0.5
132.34811	0.5
135.70366	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1187.5287
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02847	0.2
91.35159	0.2
93.88961	0.2
105.11453	0.2
105.97530	0.2
117.04985	0.2
253.08975	0.3
277.21707	4.4
365.26651	0.3
412.15439	0.6
425.12277	0.8
428.14816	0.6
438.09656	2.4
441.15714	1.3
442.16376	0.4
444.14609	1.0
448.13727	0.3
452.11182	0.7
453.11938	3.3
454.08905	3.1
455.17310	10.0
456.17407	1.4
457.18643	0.8
459.16788	2.1
460.16461	0.3
466.12451	0.3
467.13718	1.2
468.09531	1.9
469.11218	4.7
469.16669	0.3
470.11792	0.8
472.13651	0.8
473.18350	14.3
474.19162	1.6
476.13086	0.5
481.11371	2.3
482.12082	2.0
483.12546	3.2
484.13525	0.7
487.12396	0.7
488.17361	0.3
495.12830	0.4
496.13806	9.4
496.20770	0.5
497.11182	3.3
498.10593	1.5
499.16513	1.3
500.13577	0.9
509.14340	0.4
510.15677	1.5
511.16544	8.9
512.13330	30.5
513.13727	6.3
514.14783	0.4
515.19330	0.9
526.14960	16.0
527.15686	14.8
527.28589	1.0
528.16614	3.4
528.28802	0.7
529.17328	2.3
529.29175	0.3
539.19238	0.4
542.13989	0.3
543.19037	0.9
555.15039	0.5
559.18146	0.6
560.15417	3.4
561.15576	0.5
572.19238	0.2
582.17786	0.3
583.18304	1.3
585.19739	0.4
587.18024	0.6
589.19598	0.4
597.11041	0.2
597.19916	4.4
598.20038	0.8
599.20117	7.2
600.19513	1.2
613.19360	2.2
614.20184	100.0
615.20782	35.3
616.21185	2.9
624.24646	0.2
629.22723	1.9
630.21979	0.4
631.20654	0.7
645.03851	0.3
645.22021	4.0
646.19202	15.0
647.19391	2.0
673.21515	3.9
674.21851	0.7
675.21631	0.3
835.26691	0.6
849.28455	0.6
891.42261	0.9
909.30762	2.6
910.31244	0.6
951.44421	2.3
952.45087	0.4
1127.51257	0.9
1187.53162	2.9
1188.54407	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1183.529
Annotation	Unknow
Peak:m/z	Relative Intensity
97.30692	0.1
106.06599	0.4
106.17353	0.1
152.25606	0.1
161.04854	0.2
206.53593	0.1
366.12186	0.2
389.80078	0.2
396.17282	0.4
401.17563	0.2
414.19186	0.2
416.20358	0.2
428.20538	0.2
429.16541	0.5
429.21085	0.6
430.16959	0.2
430.21964	0.3
440.20184	0.2
441.20895	0.5
442.18353	0.2
443.22751	2.1
444.19031	1.4
445.19559	2.1
447.25381	0.4
455.22577	1.1
456.23782	0.7
457.21329	0.8
458.20807	0.5
459.21695	2.5
460.22238	0.3
462.20700	0.4
466.17773	0.2
467.18845	0.5
470.17358	0.3
471.20145	1.7
471.25809	2.1
472.18149	0.4
472.23392	1.5
473.23679	1.5
474.23526	0.2
475.21677	0.2
476.18442	0.5
481.20016	0.4
482.21024	2.5
483.21985	0.2
484.18784	0.7
485.19690	2.6
486.20511	0.5
487.25406	3.7
488.22186	0.4
489.23001	0.2
496.22760	0.4
497.23453	4.7
498.24036	0.4
499.21393	4.9
500.22144	14.3
501.22336	1.5
503.20847	0.6
504.21442	0.9
513.22980	0.8
514.23846	1.0
515.24481	100.0
516.24805	9.9
518.23035	0.6
519.23956	0.5
532.20856	0.2
547.27533	0.4
559.23462	17.5
560.23822	1.9
577.24731	0.2
591.26050	5.5
592.26202	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1171.6921
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02944	0.2
89.02457	0.2
94.99069	0.4
100.74323	0.1
101.02449	0.3
104.97490	0.8
110.98537	10.6
113.02468	0.2
114.09765	0.1
118.78536	0.1
120.06618	0.1
132.42134	0.1
134.98532	0.1
136.22375	0.1
137.00087	0.5
138.66774	0.1
152.99593	0.5
161.04591	0.1
165.12831	0.6
167.01151	9.7
168.30359	0.1
180.42418	0.1
181.21831	0.1
183.13902	9.8
184.14287	0.3
185.02213	2.7
209.11911	0.1
227.12877	0.4
235.08269	0.2
253.09297	0.4
261.22269	0.5
277.18848	0.3
277.21722	3.2
279.23282	100.0
280.23639	5.5
322.20941	0.1
338.22095	0.1
359.51794	0.1
362.26776	0.1
445.20395	0.2
447.25153	73.4
448.25513	5.3
448.30234	0.1
463.21964	0.2
486.25720	0.1
542.99536	0.1
620.45966	0.1
723.43250	19.2
724.43628	2.8
1195.41528	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0194
Annotation	Succinic acid
Peak:m/z	Relative Intensity
52.11478	0.4
55.01868	1.0
59.01364	0.6
67.63583	0.4
71.01388	1.1
71.05903	0.9
73.02946	100.0
74.02473	0.8
74.03275	2.7
85.14735	0.4
87.76460	0.5
99.00884	7.9
116.19175	0.5
116.92855	0.6
117.01943	12.4
117.02737	0.8
117.07538	0.4
118.02299	0.4
123.25415	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1171.5353
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02947	1.9
87.00890	0.9
89.02422	1.4
95.01389	0.6
96.41709	0.5
98.20686	1.1
101.02431	3.3
113.02452	3.1
133.58824	0.5
140.62616	0.5
143.03497	1.1
161.04430	0.9
233.22783	0.6
253.09248	2.1
259.20554	0.6
275.20026	1.0
277.21710	71.7
278.22034	3.2
352.37073	0.5
438.09427	2.6
441.15790	1.2
451.14035	1.1
452.11005	1.2
453.11371	5.1
454.12909	1.1
455.17398	1.0
457.19019	0.8
459.16608	2.6
466.12747	0.6
466.16425	0.6
467.13577	2.7
468.14423	1.0
469.15247	0.6
472.13956	0.6
473.18692	0.6
480.14532	2.5
481.11111	10.8
482.12247	1.8
483.17340	0.6
494.15680	0.8
495.13013	3.2
495.17242	2.1
496.13882	31.8
497.14453	14.2
498.15369	2.5
500.17566	0.7
509.18140	2.7
510.15375	7.4
511.16202	16.9
512.17224	7.1
513.17822	7.9
514.18140	1.2
522.15472	1.0
523.16217	2.1
524.13318	0.9
526.14966	1.3
528.13440	1.9
529.13147	0.6
530.14832	0.9
537.14307	0.6
538.14752	4.0
539.15094	5.2
540.16235	1.8
541.17126	2.0
542.14172	1.6
544.16016	16.7
545.15967	2.4
548.17236	0.6
549.17297	0.8
551.15729	2.5
552.16718	0.9
553.17401	4.2
554.17194	0.6
556.15820	1.6
560.15399	1.6
567.18719	1.6
570.17535	4.6
571.18353	22.3
572.18573	2.9
583.18073	2.3
584.18933	0.8
588.14972	0.7
589.19873	0.7
590.52545	0.6
597.19904	5.3
598.20898	9.0
599.21533	12.5
600.21783	1.0
601.18842	0.7
602.16461	4.2
603.16510	0.7
614.20093	2.4
625.19360	3.8
626.19757	1.1
627.21094	2.5
629.19507	0.6
630.19690	6.0
631.20367	1.1
642.19751	0.8
643.20331	1.1
657.22058	31.3
658.21881	4.2
659.23572	6.7
660.23907	0.7
690.22058	2.3
717.23669	2.6
729.23993	1.4
771.25067	1.2
801.26221	1.1
819.27191	10.6
820.27277	1.5
862.71838	0.6
893.31012	74.7
894.31128	11.7
911.32263	7.8
912.32343	1.0
935.44470	100.0
936.44659	19.9
1142.33374	0.6
1171.53455	67.1
1172.53699	14.7
1211.17395	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0038
Annotation	Formylpyruvate
Peak:m/z	Relative Intensity
50.99087	1.8
59.01374	2.7
62.75840	1.9
69.15012	22.4
71.01384	100.0
71.05004	3.3
72.01685	2.6
84.57572	2.0
87.00861	5.8
90.28935	2.1
97.93108	3.4
114.93387	7.7
115.00359	8.7
116.07167	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	115.0037
Annotation	Maleic acid
Peak:m/z	Relative Intensity
52.18310	3.1
52.73501	3.4
54.26595	2.7
56.20855	2.8
66.78933	3.0
69.54850	22.4
69.56071	3.2
71.01376	100.0
78.89150	2.8
78.97664	3.3
86.21003	2.9
115.00341	10.5
130.13547	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	1141.5002
Annotation	Unknow
Peak:m/z	Relative Intensity
90.04585	0.4
96.96996	2.2
116.92880	1.1
133.03001	1.1
150.98027	0.7
152.99583	43.5
171.00648	6.8
196.50986	0.5
227.03291	3.7
245.04295	25.6
253.21745	13.7
253.24420	0.8
292.78418	0.5
441.19153	1.7
465.19708	1.0
467.20868	0.6
469.22534	1.7
479.20871	1.4
481.25708	100.0
482.25989	5.1
496.17651	2.1
497.17422	0.7
500.17999	0.7
507.20386	0.8
509.18298	1.2
511.19760	1.3
512.16925	7.8
513.17169	0.8
523.19897	0.9
524.20343	0.8
528.16327	3.2
536.17133	2.2
551.19733	1.2
555.18848	9.1
556.19574	1.3
585.19714	1.7
627.20593	1.3
659.23566	64.2
660.23944	6.8
843.50568	0.5
1141.50354	6.6
1142.50134	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	1135.7121
Annotation	Unknow
Peak:m/z	Relative Intensity
81.02997	0.2
81.03461	3.4
83.01386	4.9
83.05028	7.9
85.02949	1.8
87.00878	0.3
89.02448	1.8
95.01395	0.6
96.45572	0.1
97.02960	0.3
98.19882	0.2
99.00883	0.2
99.04521	0.1
99.15609	0.1
100.07713	0.1
101.02445	14.0
102.02785	0.2
107.06139	0.2
108.04530	0.3
113.02453	5.7
114.02769	0.1
119.03511	1.5
125.02455	0.6
125.07226	0.6
126.05619	0.2
131.03500	1.4
131.16354	0.1
143.03490	1.5
143.08270	0.3
147.03012	0.1
149.04559	3.2
155.03497	0.5
161.04555	5.5
191.05530	0.1
203.05638	0.7
207.14978	0.7
221.06679	2.0
224.17676	1.6
225.16077	10.1
226.16408	0.3
242.18634	0.4
250.15598	0.3
251.14130	0.1
290.22510	0.2
309.21802	0.7
324.26511	0.4
333.22980	0.5
341.29050	0.7
350.24353	0.1
351.23895	0.1
367.27103	1.5
385.28354	0.2
407.33859	0.2
433.31900	1.1
434.32336	0.1
450.34561	1.0
451.32901	8.5
452.33179	0.5
476.32578	0.1
516.38953	0.2
535.38409	0.2
550.43372	1.2
551.43500	0.2
559.40240	0.2
565.44318	0.4
577.40955	0.2
593.43719	0.7
594.43634	0.1
659.38763	0.2
659.48663	2.4
660.49506	0.3
677.49677	100.0
678.49982	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	113.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	13.1
57.03447	29.8
67.01884	1.8
68.99566	100.0
69.03457	2.8
70.24324	3.6
71.01372	6.0
72.99303	4.2
83.01394	2.9
84.02155	16.2
85.02944	86.4
85.16833	1.1
86.03299	1.7
95.01395	2.8
112.98581	4.1
113.02445	20.1
114.05602	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	113.0245
Annotation	19322-27-1
Peak:m/z	Relative Intensity
55.01874	13.1
57.03447	29.8
67.01884	1.8
68.99566	100.0
69.03457	2.8
70.24324	3.6
71.01372	6.0
72.99303	4.2
83.01394	2.9
84.02155	16.2
85.02944	86.4
85.16833	1.1
86.03299	1.7
95.01395	2.8
112.98581	4.1
113.02445	20.1
114.05602	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	1125.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03464	0.9
83.01395	0.8
85.02953	1.6
89.02449	1.4
90.53229	0.2
93.03452	0.7
94.20593	0.2
95.01405	0.4
97.02937	0.6
98.87273	0.2
99.00884	0.5
99.04516	23.8
100.04807	0.4
101.02440	6.2
101.03111	0.3
107.01393	1.5
109.02930	0.5
111.04472	0.2
113.02455	2.1
117.03449	0.5
119.03516	0.5
125.02441	14.5
126.02789	0.3
128.36168	0.2
131.04950	0.2
132.02213	0.5
135.00888	0.9
137.02411	0.4
138.06850	2.3
143.03499	2.1
143.04991	0.6
145.02991	0.2
151.00354	1.7
153.01895	0.3
153.09204	7.7
153.12772	0.2
154.09525	0.3
157.31691	0.2
159.03096	0.3
159.04474	0.8
161.04558	1.5
163.00375	2.0
164.01091	0.2
165.01999	0.4
167.04945	0.5
169.06601	0.6
171.04515	0.4
174.03174	0.2
182.03893	0.3
183.04494	0.6
185.06052	1.8
187.03983	1.8
189.05544	0.7
190.99753	0.2
195.04424	0.5
196.05263	0.4
197.06000	0.8
199.03993	0.7
201.05606	0.5
207.13882	0.8
210.39198	0.2
211.04021	1.6
213.05540	1.4
214.02809	0.2
223.03928	0.3
225.14944	11.1
226.15187	0.5
227.03479	20.6
228.03874	1.1
229.05045	7.6
239.03520	1.5
240.04222	0.6
241.04996	1.2
243.02966	0.5
255.02968	38.6
256.03604	3.7
257.04541	5.1
267.02988	0.6
283.02493	0.5
283.05783	0.3
284.03244	49.1
285.04007	63.3
286.04355	2.8
327.05038	0.9
369.19162	6.4
370.19501	0.3
387.20212	8.7
388.20676	0.4
429.21231	12.7
430.21561	1.1
469.24353	2.3
487.25464	4.4
488.25787	0.4
531.24438	38.8
532.24805	2.8
593.15057	100.0
594.15375	8.8
1088.18530	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1119.283
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01385	0.8
89.93887	0.2
91.01878	0.2
93.03452	0.2
107.01388	1.8
108.02177	0.6
109.02945	0.8
114.11344	0.2
115.00345	0.2
121.02943	1.2
125.02424	0.2
133.01385	0.3
135.00885	0.5
135.04526	0.2
137.02434	0.2
148.01700	0.7
149.02414	0.4
151.00371	7.6
151.01591	0.4
163.00380	1.4
164.01117	0.3
169.01434	0.3
173.02493	0.2
173.06071	0.2
174.03223	0.4
175.04007	0.3
177.01921	0.4
178.99849	3.5
183.04503	0.2
187.03987	0.6
190.02747	0.3
190.66414	0.2
192.00665	0.3
193.01476	0.2
198.03217	0.2
199.04008	0.5
199.82156	0.2
201.01891	0.6
201.05620	0.4
203.03416	0.3
206.02216	0.3
211.03978	0.8
213.01897	0.2
215.03510	0.5
215.07123	1.5
216.04295	0.5
216.07582	0.2
225.05577	0.3
226.02690	1.1
227.03496	2.1
228.04082	0.3
229.04974	0.4
239.03476	0.3
243.02966	6.0
243.06609	4.2
243.08928	0.3
244.03561	0.4
245.04541	0.9
245.08369	0.2
254.02153	1.1
255.02968	17.7
256.03445	1.0
271.02466	37.5
272.03009	2.3
273.03979	0.6
283.02548	1.0
299.02014	1.0
300.02728	66.5
301.03464	25.2
302.03860	1.2
313.03607	0.2
343.04605	0.6
417.00864	0.3
423.13010	0.3
465.14001	4.3
466.14133	0.3
509.28497	1.1
606.11121	0.2
609.14569	100.0
610.14862	8.7
611.15320	0.3
625.14685	0.2
910.27478	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	27.9
67.01894	69.5
71.01388	7.1
71.48682	2.4
78.95910	16.1
79.95727	5.0
81.09019	2.1
83.01391	68.2
83.05011	2.4
97.04219	2.3
110.97594	8.4
111.00884	100.0
111.07468	2.3
112.01210	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	1111.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03958	1.3
79.01893	0.9
87.00932	0.2
93.03461	1.9
94.86037	0.2
95.05000	0.2
97.02972	0.2
98.19883	0.7
103.96342	0.2
105.03477	1.0
107.01385	0.6
117.03461	9.4
118.03783	0.3
119.05019	1.0
120.12653	0.2
121.02956	2.0
123.04559	0.2
125.02457	0.5
130.72252	0.2
133.02946	0.5
134.51114	0.2
135.00858	0.3
135.04518	1.8
137.02383	0.3
145.02962	0.6
147.04514	0.8
148.01668	0.4
149.02437	2.2
151.00369	0.4
159.04535	2.4
161.02431	5.1
162.03159	0.3
163.00375	1.2
163.04004	3.5
165.01848	1.0
167.83524	0.2
169.06540	0.4
171.04480	0.2
171.08109	0.2
173.02411	0.5
173.06087	0.2
175.00410	0.5
175.04007	0.7
177.01997	0.4
179.03477	0.8
182.03691	0.3
183.04504	0.3
185.02412	0.4
185.06044	0.3
187.04028	0.4
189.01843	0.3
190.02682	0.3
191.03502	1.4
193.01419	0.8
193.06636	0.2
195.04564	0.4
195.08176	0.3
196.05229	0.5
197.06033	0.8
203.03461	1.4
205.01347	0.2
209.06033	0.5
211.03868	0.2
211.07629	0.8
213.05556	0.4
215.03368	0.2
215.07109	0.8
217.01489	0.3
221.04361	0.2
223.07642	0.3
224.04791	0.4
225.05516	0.5
227.03505	1.0
227.07066	0.3
229.01340	0.3
229.70702	0.3
237.05615	0.7
239.03543	0.2
239.07112	1.5
240.04292	0.2
240.64664	0.2
241.05038	0.4
251.07217	0.3
253.05042	0.7
255.03001	1.4
255.06625	0.3
256.03421	0.2
257.04523	0.3
265.04965	0.2
267.06570	0.4
268.03738	3.0
269.04529	4.5
276.01044	0.2
281.04556	6.3
282.05350	2.8
283.06107	41.2
284.03235	1.5
284.06470	2.4
285.04068	1.7
293.04541	2.7
295.06110	2.5
307.06161	0.3
309.03949	0.6
309.07532	0.3
311.05588	66.7
312.05927	3.5
314.04352	1.0
321.03864	0.3
323.05600	6.7
325.07074	0.2
339.05148	0.3
341.06635	10.5
342.06924	0.5
349.07147	0.3
353.06741	1.1
377.06396	0.5
395.08035	0.4
413.08749	15.0
414.09201	0.8
431.09946	0.6
473.10861	100.0
474.11249	6.3
533.98004	0.2
593.15002	3.7
594.15259	0.3
605.65546	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86511	1.9
55.01879	40.7
56.02230	2.2
60.64550	2.0
67.01890	33.7
70.96825	4.5
70.97163	2.5
71.01376	9.7
77.72458	2.1
78.95909	57.7
80.67391	2.0
81.03455	3.7
83.01392	100.0
83.01896	4.9
83.05013	10.8
84.01703	3.9
93.03452	7.7
110.89941	15.0
110.98529	2.4
111.00880	63.9
111.04475	3.6
112.01260	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	111.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86511	1.9
55.01879	40.7
56.02230	2.2
60.64550	2.0
67.01890	33.7
70.96825	4.5
70.97163	2.5
71.01376	9.7
77.72458	2.1
78.95909	57.7
80.67391	2.0
81.03455	3.7
83.01392	100.0
83.01896	4.9
83.05013	10.8
84.01703	3.9
93.03452	7.7
110.89941	15.0
110.98529	2.4
111.00880	63.9
111.04475	3.6
112.01260	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	1109.4821
Annotation	Unknow
Peak:m/z	Relative Intensity
76.93118	0.2
79.50970	0.3
85.02940	0.8
87.00885	0.3
89.02390	0.7
95.01380	0.3
101.02422	1.0
109.05353	0.4
110.06112	0.3
113.02438	0.9
115.00396	0.3
118.06627	1.3
118.88619	0.2
121.05331	1.0
122.06115	2.7
132.04521	0.5
133.01407	0.5
133.05357	0.3
133.92262	0.3
134.06110	1.0
135.04520	0.3
136.07663	0.4
138.05594	0.6
146.06108	6.3
148.07724	0.3
150.05603	0.8
157.26649	0.3
162.05589	0.7
164.07166	0.5
165.04323	0.4
176.07195	0.3
179.05768	0.4
179.10809	0.4
189.06662	0.5
195.13864	0.3
198.09265	0.3
203.08188	0.4
207.14029	0.3
210.07935	0.5
211.08658	1.8
212.10883	0.5
213.08344	0.3
213.10393	1.1
214.07477	0.4
215.08147	0.6
225.06659	0.8
225.10400	0.8
225.14897	0.9
226.07394	2.9
226.12393	2.6
227.08232	2.5
227.11819	1.9
228.10252	0.9
229.09798	0.5
235.70377	0.3
237.06645	0.9
238.07520	0.3
239.08229	5.4
239.11848	0.6
240.09018	9.3
240.11523	0.4
241.09798	8.1
242.10474	0.6
243.08926	0.4
243.11240	0.3
252.08992	0.8
253.09814	3.1
254.10574	8.3
255.11366	21.1
256.11755	0.9
257.09259	0.4
257.12939	2.0
258.06339	0.6
266.10608	0.7
267.11377	4.3
268.12155	1.6
269.12924	13.7
270.10062	1.3
270.13452	1.1
271.02649	0.5
272.08026	4.5
272.11182	0.6
273.12271	0.5
283.10706	0.8
284.08188	0.5
284.11591	4.4
285.12405	9.5
286.09531	5.9
286.13031	2.4
287.10138	0.4
294.12561	0.5
298.09598	0.4
299.10211	0.4
299.13885	0.4
300.02661	1.3
300.11172	1.2
301.03406	0.6
301.11832	0.8
302.09003	1.0
302.12485	0.4
307.14474	0.5
308.14047	0.5
311.12872	0.4
313.11935	3.0
314.12634	0.7
316.10629	4.9
318.12097	0.6
320.10394	0.5
321.15811	0.5
322.15576	1.2
329.11523	0.3
330.12134	0.5
333.15869	0.4
334.11801	0.7
334.15549	0.4
336.13492	1.8
336.17206	0.6
337.15088	0.4
346.15640	0.4
348.13547	2.8
348.17206	0.4
350.15115	2.6
351.15854	0.8
352.16388	0.5
361.14349	0.4
362.15030	4.3
363.15817	1.5
364.16666	5.2
365.17389	0.3
366.14474	6.8
366.18280	0.6
367.14795	0.4
369.19052	3.0
370.19684	0.3
376.16611	4.0
378.18149	2.3
379.18677	0.6
380.16071	12.3
380.19809	0.5
381.16873	7.4
382.17566	0.3
387.20184	2.6
390.18289	0.5
391.18945	0.8
392.19727	1.5
394.17679	11.3
395.18018	0.8
408.15067	4.3
408.19443	1.0
409.20139	3.4
420.15472	1.7
422.17279	4.2
423.17911	0.9
429.21405	3.6
434.17136	0.5
435.18115	0.7
436.18762	1.1
438.16684	10.7
439.16849	0.6
441.18872	0.3
449.19418	0.3
452.18176	3.0
453.19016	16.3
454.19708	3.8
473.16495	0.8
485.18130	0.9
549.25763	0.8
575.25061	13.3
576.25275	1.2
591.26447	2.7
599.24377	1.8
609.14355	1.7
617.26099	71.8
618.26392	5.9
635.27222	100.0
636.27521	8.5
1012.07532	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1097.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
91.05523	4.0
93.03468	1.3
103.05503	2.9
105.07071	1.1
108.02144	2.4
109.02934	10.4
115.05517	2.6
119.05023	2.2
121.02314	1.0
121.02961	10.6
123.04530	2.8
129.07091	1.6
130.04243	8.1
131.04979	1.2
133.02963	5.9
133.06575	1.1
134.03754	11.4
135.04533	21.8
137.06055	2.0
141.07024	1.0
143.05002	2.2
145.02942	3.1
146.03790	5.5
147.04523	42.5
148.05344	5.2
149.06061	6.5
157.02907	1.3
157.06546	1.3
158.03711	1.6
159.04512	42.2
160.05203	2.5
161.02396	4.9
161.06062	5.3
167.05043	1.3
171.04515	20.7
172.05293	13.4
173.02397	3.7
173.06061	27.4
174.03226	11.7
174.06467	1.1
175.03926	4.9
175.07558	1.4
178.02695	2.6
183.04491	7.0
184.05171	1.3
185.06081	12.0
187.03999	3.9
187.07625	2.4
195.04504	1.2
196.05266	1.9
197.06064	17.0
199.04010	13.6
199.07582	6.5
201.05573	3.1
201.09164	2.3
203.03427	3.6
206.02206	9.1
207.04453	3.3
209.06055	5.6
209.09511	1.1
211.03952	2.0
211.07600	4.1
213.05563	1.4
222.06871	1.3
223.03976	2.8
223.07564	1.6
225.05554	5.9
225.09012	1.5
227.07095	3.3
231.08131	1.1
233.06033	1.5
235.07643	1.7
237.05681	1.6
239.07205	1.7
247.07487	2.5
249.05626	2.8
251.07100	17.2
253.05110	1.9
253.08641	6.3
259.07568	1.5
261.05682	2.6
261.09195	1.5
263.06958	3.3
265.08591	1.7
267.06607	3.9
272.04749	1.7
273.05609	2.6
275.07037	3.1
277.05011	3.8
277.08566	2.6
279.06592	15.4
279.09787	1.6
280.07227	1.6
287.07114	3.0
289.04971	2.6
289.08615	3.2
290.05811	3.2
291.06589	12.0
292.07306	5.1
293.08160	12.6
295.09753	2.2
299.07422	2.0
301.05222	2.5
301.08658	4.4
303.06738	7.6
304.07367	3.3
305.04874	2.3
305.08151	24.4
305.11597	1.9
306.08752	3.3
307.06369	1.8
307.09708	11.8
308.10327	2.6
315.06409	2.3
315.10004	2.0
317.04630	2.4
317.08139	6.8
318.05280	3.2
319.06104	3.9
319.09677	42.2
320.10025	1.9
329.04559	1.4
329.08188	4.0
330.08810	3.7
331.06091	2.5
331.09650	14.0
332.06851	2.1
332.10483	8.5
333.07629	2.6
333.11282	5.7
338.08334	1.7
343.06223	2.0
343.09692	4.1
345.07660	9.1
357.07471	3.1
357.11356	2.6
358.08292	3.1
359.09366	1.8
389.07269	1.2
411.12167	3.7
451.11795	2.2
461.14230	6.2
477.13309	1.8
478.14063	1.8
479.14984	100.0
480.15546	9.1
481.14923	4.7
487.11771	4.2
503.11768	1.8
505.12946	58.9
506.13052	4.1
523.14099	2.3
525.13928	4.1
531.10791	4.1
547.14117	2.0
549.11981	3.2
569.12646	4.4
641.20300	18.9
667.18134	22.9
668.18335	1.8
685.18915	10.6
686.19080	1.3
687.19293	3.2
693.16296	5.4
709.18970	1.7
711.17053	20.8
712.17072	1.9
729.18518	7.6
731.18005	7.6
737.15118	2.7
755.16156	12.0
773.17798	3.9
803.25537	8.4
829.23694	8.8
830.23730	1.6
847.24469	15.4
848.24567	1.5
873.22668	24.5
874.22925	3.1
891.23578	21.3
892.24316	2.9
917.21484	32.5
918.21570	3.4
935.22479	56.3
936.23035	9.3
965.29755	2.3
1009.29565	7.3
1053.29004	10.2
1054.27173	1.5
1097.27612	84.4
1098.28284	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	1096.5996
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95911	0.4
78.98583	2.9
79.95734	6.5
80.96513	33.4
85.02931	1.2
87.00871	1.6
94.98081	8.4
95.01416	0.3
96.96024	0.6
97.02959	0.7
101.02436	1.2
106.98096	1.1
122.97601	1.8
125.02431	1.7
127.04002	0.5
134.97578	2.6
136.99139	0.9
148.99139	3.4
152.98639	3.0
164.98613	7.0
188.98550	0.3
206.99702	1.8
217.95271	0.3
222.10422	0.3
225.00728	13.5
240.33434	0.2
261.87997	0.2
277.21649	1.3
279.23236	2.2
299.04376	2.4
432.07907	0.2
504.30847	2.5
548.21277	0.3
577.26819	100.0
578.27124	8.2
760.50085	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0295
Annotation	Catechol
Peak:m/z	Relative Intensity
65.03954	7.3
66.03478	3.2
67.01897	1.8
67.02991	1.1
69.03461	1.3
69.55834	4.0
69.56245	1.4
81.03452	21.3
91.01876	2.2
98.20606	1.8
108.02163	20.8
109.02949	100.0
110.02538	1.8
110.03288	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	1085.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03428	0.5
83.05052	0.4
85.02955	7.2
87.00866	1.8
89.02497	0.5
89.11699	0.3
91.05542	1.1
93.03456	3.9
103.05534	0.4
109.02959	5.2
111.04543	0.7
113.02420	0.5
121.02958	1.6
123.04538	0.9
127.04013	2.0
129.07114	0.7
130.04250	2.7
133.02924	3.2
133.06555	0.3
134.26126	0.3
135.04518	6.2
143.05022	0.7
145.02980	0.5
145.06548	0.7
146.03799	1.6
147.04523	12.2
148.05313	6.4
155.05032	0.6
158.95532	0.3
159.04504	3.6
160.05330	0.4
161.02394	3.9
161.06075	0.8
171.03096	0.7
171.04521	10.0
172.05307	7.1
173.02431	1.0
173.04572	1.5
173.06052	12.3
174.03212	8.1
174.06470	0.4
175.03795	0.5
177.01942	0.8
178.02731	1.5
179.03479	1.1
183.04521	0.9
185.06082	1.3
191.05603	100.0
192.04359	0.4
192.05879	1.8
197.06070	5.6
199.04015	3.5
203.03453	0.6
206.02191	4.3
209.06087	1.8
213.05367	0.3
215.05463	0.5
216.04214	0.4
223.04082	0.4
231.08168	0.4
247.07697	0.5
249.09155	0.7
251.07120	11.2
252.07326	0.4
272.04709	0.5
273.05539	1.7
273.09015	0.4
275.10678	0.4
277.08725	0.9
289.05048	1.1
290.05820	0.9
291.06610	1.6
301.08682	2.8
302.72040	0.4
317.08142	1.5
319.09735	83.4
320.10098	4.8
343.05942	0.5
343.09662	0.6
345.07648	21.9
346.07977	1.5
353.08774	12.5
354.08936	0.5
361.10764	0.6
363.08676	2.7
371.05615	0.8
387.08643	0.7
389.06616	1.5
407.07663	0.6
481.14978	11.7
482.15402	0.7
507.12918	4.9
525.14014	9.8
526.14667	0.6
549.13867	1.0
551.12158	3.6
569.12994	24.2
570.13062	1.7
643.20380	1.9
687.07758	0.7
687.19269	12.9
688.19257	1.4
713.17383	0.6
731.18250	60.8
732.18384	5.9
733.19763	0.8
942.97852	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1083.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
79.53715	0.2
83.01386	0.5
93.89581	0.2
101.54836	0.2
102.42716	0.2
107.01404	1.2
108.02174	0.7
108.11023	0.2
109.02944	0.7
121.02945	1.1
125.02435	0.2
135.00897	0.5
148.01720	0.7
149.02509	0.3
151.00372	6.4
159.04457	0.3
163.00378	1.6
164.01189	0.4
169.01401	0.3
174.03241	0.2
178.99850	3.1
187.03984	0.4
190.99976	0.2
191.03462	0.3
193.01387	0.3
199.03903	0.5
211.04015	0.7
215.03464	0.2
216.04285	0.2
226.02621	1.0
227.03464	1.5
228.04062	0.2
229.05070	0.6
229.17738	0.2
229.31645	0.2
243.03009	4.2
244.03473	0.3
245.04552	0.7
254.02200	1.5
255.02988	15.9
256.03406	0.8
271.02478	32.0
272.02917	1.8
273.03940	0.8
283.02499	0.6
299.01987	0.9
300.02756	64.1
301.03497	24.4
302.03915	1.2
343.04556	0.6
350.49884	0.2
609.14600	100.0
610.14960	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	1073.5596
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95902	14.1
79.26588	0.2
83.07446	0.2
84.69212	0.2
86.80027	0.2
92.95531	0.2
94.99020	0.2
95.80678	0.2
104.97431	0.5
106.06766	0.2
110.92420	0.2
110.98532	7.9
121.80796	0.2
122.42071	0.2
128.36832	0.2
137.00050	0.4
152.52193	0.2
152.99615	0.2
167.01137	8.0
185.02180	2.7
261.22223	0.4
279.23264	100.0
280.20636	0.4
280.23630	4.5
337.82678	0.2
447.25125	68.1
448.25464	3.8
527.52966	0.2
653.81952	0.2
655.00677	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1067.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01380	0.3
86.83041	0.2
89.02493	0.2
105.03438	0.5
107.01402	1.2
108.02170	0.2
109.02945	0.8
113.29149	0.2
114.99568	0.2
115.00369	4.4
116.20448	0.2
121.02935	0.4
125.02395	0.2
127.40781	0.2
133.01428	8.5
133.02911	1.7
134.03816	0.2
135.00819	0.2
135.04524	2.8
147.00816	0.3
149.02385	0.2
151.00362	5.9
159.04509	0.3
163.00374	0.7
163.03987	0.2
164.01118	0.3
171.04515	0.6
175.00359	0.7
175.04010	0.3
177.01921	1.1
178.02255	0.2
178.99860	2.0
179.03514	1.7
187.03972	0.4
190.99800	0.2
199.04001	1.8
201.01865	0.5
201.05548	0.3
203.03477	0.4
211.03973	0.4
215.03448	0.6
226.02682	0.6
227.03519	2.0
228.04031	0.2
229.05048	0.4
243.02983	2.8
244.03667	0.3
245.04445	0.2
254.02226	0.5
255.00548	0.3
255.02975	4.0
256.03427	0.2
271.02451	41.3
272.02823	1.9
273.03961	0.3
282.01498	0.2
283.02316	0.2
295.04556	0.4
299.01938	62.7
299.99008	0.2
300.02670	23.9
301.03482	32.9
302.03851	1.1
313.03384	0.4
342.03726	0.3
343.04623	1.2
462.07990	14.8
463.08630	3.2
464.08734	0.2
570.75897	0.2
609.14557	18.5
610.15039	1.3
771.19818	100.0
772.20154	10.7
773.20465	0.3
810.59088	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1067.194
Annotation	Unknow
Peak:m/z	Relative Intensity
75.97359	0.2
77.03955	0.3
83.01385	0.5
91.01896	0.3
93.03454	0.5
93.04022	0.2
101.67970	0.2
104.87110	0.2
105.20984	0.2
107.01379	2.0
108.02168	0.8
109.02969	0.9
117.03445	2.3
121.02956	1.4
133.02950	0.2
135.00870	0.9
135.04495	0.3
145.02827	0.3
147.00848	0.3
147.04495	0.5
148.01660	1.1
149.02443	0.5
151.00366	7.7
151.01579	0.5
152.00888	0.2
159.04427	0.9
161.02396	1.3
163.00360	1.8
163.03979	0.8
164.01105	0.4
165.01863	0.4
169.01451	0.4
173.02408	0.2
175.03973	0.4
178.99867	3.4
183.04501	0.4
185.02409	0.2
187.03912	0.3
189.01942	0.2
190.99873	0.3
191.03516	0.6
192.00691	0.3
193.01270	0.3
199.03954	0.5
201.05565	0.4
203.01677	0.2
203.03490	0.7
211.03940	0.9
215.03496	0.7
216.04251	0.6
226.02707	0.9
227.03452	2.3
228.04036	0.2
229.01498	0.4
229.04984	0.4
239.03455	0.3
239.07080	0.3
243.02959	7.3
244.03592	0.5
245.04520	0.8
253.05072	0.3
254.02135	1.4
255.02969	21.1
256.03381	0.9
257.04474	0.3
267.06549	0.3
268.03677	0.8
269.04514	1.4
271.02454	42.0
272.02936	2.4
273.03995	0.7
279.06659	0.2
281.04520	1.6
282.05173	0.7
283.02518	1.0
283.06027	6.8
293.04486	1.0
295.06049	1.1
299.02008	0.8
300.02722	78.9
301.03464	29.2
302.03851	1.0
307.05826	0.2
309.03998	0.3
311.05582	12.5
312.05746	0.4
314.04346	0.3
323.05554	2.3
323.75842	0.2
341.06677	1.7
349.06964	0.3
353.06796	0.5
413.08685	4.2
414.08768	0.3
463.08896	2.3
473.10870	21.2
474.11346	1.3
505.09848	100.0
506.10126	5.8
558.61511	0.3
960.97205	0.2
1092.30029	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1061.5189
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01378	6.5
83.05024	2.3
85.02956	8.9
87.00874	11.4
89.02441	21.6
93.03468	2.2
95.01376	4.4
97.02949	5.2
99.00906	1.8
101.02445	24.5
105.14338	1.4
109.02947	4.1
109.06591	2.2
111.04488	2.2
113.02440	14.5
115.00344	1.6
119.03495	6.3
121.02961	4.9
122.03681	2.1
125.02465	12.2
133.23125	1.8
139.03992	2.1
141.01979	1.6
143.03453	3.3
149.02390	2.4
161.04509	6.4
175.00333	4.5
179.05649	9.2
183.13882	7.0
190.81464	1.4
193.12238	2.0
195.13780	1.7
197.15356	2.7
199.06129	1.5
210.48759	1.5
211.13385	100.0
212.13710	2.7
213.14987	24.9
217.12299	2.0
221.06657	5.0
223.13318	4.9
225.38652	1.6
233.11754	2.5
235.08168	7.2
235.13345	7.4
240.34622	1.5
241.14438	55.7
242.14815	3.5
243.15977	3.1
245.11745	3.1
247.13480	2.0
251.12958	8.1
253.14465	11.4
259.13312	7.3
259.15671	1.9
263.12769	4.7
265.14511	1.8
277.14426	6.2
277.21713	92.5
278.22052	4.4
281.13705	2.9
287.07639	3.6
295.15012	1.7
305.08636	4.2
379.12415	18.6
397.13507	57.2
398.13760	2.3
415.14563	13.5
483.34674	5.2
517.38849	1.8
591.26495	17.0
592.27161	2.6
609.27600	17.3
621.27344	10.1
631.25720	2.7
633.27515	2.2
639.28668	16.2
640.28522	2.3
651.29138	2.2
657.34674	6.0
675.26300	2.9
675.37512	7.9
787.47198	1.9
869.48883	9.7
881.48767	5.4
898.43207	2.8
899.50232	64.0
900.50555	9.0
909.48920	7.1
911.50092	8.5
921.48438	13.5
922.49091	2.7
927.49695	7.0
935.49359	8.9
939.49622	9.1
951.49780	6.9
963.49298	5.4
981.50854	3.1
999.51581	13.5
1000.52911	2.4
1061.49170	73.4
1062.49707	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	1051.3661
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99297	0.6
73.02950	1.3
83.08132	0.2
85.02942	2.4
89.02446	1.5
98.20665	0.9
101.02449	2.1
103.04057	0.5
113.02431	0.7
117.03461	2.6
119.03473	0.4
121.26703	0.2
131.01376	1.0
135.04532	0.3
151.00333	0.3
161.02435	0.6
161.04523	0.3
163.00375	0.5
171.04541	0.2
173.02393	1.1
175.00363	4.3
177.01898	0.3
189.12874	0.5
197.05960	0.2
223.17056	0.2
230.10718	0.3
237.05496	0.2
239.06915	0.4
240.67433	0.2
249.05502	0.4
251.07228	0.2
253.04988	0.4
254.05795	0.3
255.02975	0.3
265.05087	0.4
268.03705	0.5
269.04520	4.8
269.07239	0.3
271.02393	0.4
279.06656	0.3
281.04581	4.1
282.05322	6.5
283.06073	4.2
293.04550	52.0
294.04895	2.4
295.06100	2.2
300.02780	0.7
301.03537	0.5
306.05432	0.2
307.06036	0.4
309.04065	0.7
310.04736	0.7
311.05597	7.8
311.09158	0.5
312.05743	0.3
314.04330	1.9
321.03970	0.5
323.05579	5.8
325.07135	0.7
327.05264	0.3
335.05661	1.5
337.07199	0.3
341.06647	4.9
342.06796	0.3
347.05704	0.3
349.06918	0.3
353.06683	2.1
355.08154	0.3
365.06430	0.3
369.19165	1.4
387.20126	1.0
395.07489	0.3
411.20093	1.2
413.08771	12.0
414.09177	0.8
429.21317	2.7
431.09650	0.3
457.11307	3.2
478.16486	0.2
577.15594	100.0
578.06860	0.5
578.15918	6.9
609.14685	1.2
781.14233	0.2
783.25250	0.3
952.89941	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0346
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.18233	4.6
59.01387	14.1
62.07941	5.4
63.02413	7.6
63.69901	5.5
70.79324	16.5
70.79669	6.2
72.99303	41.4
75.00866	16.8
77.03974	62.0
79.30309	4.9
83.26140	7.1
91.05414	5.8
93.03436	5.9
94.48089	5.4
95.05042	26.9
105.01968	50.1
105.02779	10.7
105.03456	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	105.0194
Annotation	DL-Glyceric acid
Peak:m/z	Relative Intensity
50.55590	0.6
58.00587	0.9
59.01379	27.5
69.18761	0.5
70.24392	0.6
72.99306	91.1
73.99689	0.8
74.05943	0.5
75.00869	27.6
76.01216	0.6
81.40408	0.6
81.47182	0.6
103.00367	1.0
103.60537	0.7
105.01932	100.0
106.02271	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	105.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44877	0.9
58.00565	1.3
59.01374	25.1
60.08979	0.9
69.41453	1.1
69.69394	1.6
69.69807	3.4
72.99305	98.7
75.00868	26.4
77.03957	4.4
95.05040	2.2
105.01927	100.0
105.03411	7.7
106.02268	2.7
118.29336	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1043.5074
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99312	11.4
73.02977	2.2
75.00872	2.2
83.01396	5.6
85.02956	5.2
87.00883	19.6
89.02441	10.1
95.01396	2.1
97.02985	3.0
99.00905	7.6
101.02449	14.2
111.00893	2.2
112.98831	14.5
113.02461	9.4
115.00379	24.2
119.03520	3.6
124.98836	3.8
125.02460	5.2
133.05144	1.4
135.02950	1.4
142.99876	30.5
143.03496	2.8
145.01431	1.6
156.00568	1.9
161.04561	3.9
173.00923	8.5
174.01704	18.8
175.02484	32.1
179.05618	4.2
181.94502	1.2
183.13933	5.2
193.12288	2.3
211.13397	100.0
212.13820	1.8
221.06754	1.5
223.13417	3.9
233.11736	1.5
235.08360	5.6
235.13441	1.4
237.14894	1.8
245.11790	2.8
251.12888	1.4
255.61272	1.2
263.12891	4.4
277.21735	58.2
278.21991	2.6
281.14279	1.2
287.07779	2.5
287.12814	1.5
305.08856	2.1
379.12488	14.2
397.13516	42.8
398.13889	1.9
415.14520	8.8
591.26660	14.2
609.27472	11.5
657.34808	4.8
675.36194	5.6
729.37775	1.3
869.48663	5.4
907.46576	5.2
909.47668	1.6
921.48840	1.7
923.47174	1.5
925.47888	15.6
926.48254	1.3
939.49689	3.8
943.48999	4.2
955.48669	1.4
958.35071	1.4
963.49011	1.9
965.47748	10.3
966.46259	1.7
983.49133	5.8
1007.48511	1.6
1013.50775	1.7
1025.50220	7.1
1043.50610	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	1043.5071
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99317	12.1
73.02951	3.2
75.00871	2.6
81.03465	1.6
83.01382	4.4
85.02969	5.6
87.00878	22.4
89.02444	15.5
95.01389	1.7
96.99307	1.9
97.02956	2.6
99.00884	6.9
101.02454	14.3
106.58933	0.9
106.98959	1.2
109.02974	1.2
111.00876	3.2
112.98817	14.0
113.02453	9.2
113.99637	1.0
115.00378	24.6
119.03493	4.4
119.97128	0.9
124.98792	4.7
125.02448	5.9
135.03011	1.4
139.04103	1.1
142.99869	36.7
143.03471	2.7
145.01384	2.3
156.00644	2.4
157.01396	2.8
159.03128	0.9
161.04555	4.4
173.00905	8.3
174.00230	1.5
174.01709	20.8
175.02469	38.6
175.03995	2.0
179.05598	4.6
183.13899	6.3
191.23526	0.8
193.12309	1.6
205.12358	1.9
207.13942	1.2
211.13394	100.0
212.13728	2.5
217.07167	1.2
221.06654	2.3
223.13364	4.3
233.11819	1.6
235.08237	6.1
237.11371	1.1
237.15039	1.6
245.11739	1.6
251.12895	2.5
253.14526	1.5
263.12894	4.4
277.21725	72.4
278.22040	2.9
287.07791	2.9
305.08820	2.7
323.09741	2.1
325.67148	0.9
379.12433	17.2
397.13510	57.3
398.13861	2.0
415.14627	9.5
494.25452	1.0
529.36243	1.2
591.26654	12.7
609.27551	10.1
657.35199	4.9
675.36072	6.6
703.84314	1.0
869.49084	4.4
897.46619	1.1
907.47168	3.8
909.48688	1.7
914.54474	1.0
921.49207	1.8
925.48199	14.5
926.47699	2.1
937.47559	2.4
939.49738	2.9
943.48560	3.1
955.48340	1.6
963.48096	1.8
965.47632	13.4
983.48242	8.3
984.50311	1.2
1007.49127	1.8
1025.49390	7.7
1043.50342	3.3
1080.20105	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	1041.6001
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99314	1.8
75.00873	7.5
83.01376	0.6
85.02465	0.5
85.02950	8.7
87.00874	3.0
89.02444	1.0
91.14996	0.4
95.01369	2.2
99.00871	4.8
103.00368	0.9
113.01730	0.6
113.02458	9.2
114.48994	0.4
115.00335	0.9
117.01930	1.1
129.01913	0.5
131.63042	0.3
175.02470	1.3
223.08401	0.5
231.05183	0.8
236.75482	0.4
249.06137	7.5
267.07169	1.3
277.21719	34.0
278.22070	1.5
509.27518	1.2
527.28577	100.0
528.28973	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	1043.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99297	12.0
73.02939	3.3
75.00883	2.7
76.29288	1.0
83.01372	4.0
85.02955	7.4
86.33764	1.0
87.00875	17.9
89.02442	13.6
95.01361	2.0
96.99309	1.6
97.02944	3.6
99.00875	7.1
101.02435	15.2
111.00906	2.7
112.98801	15.4
113.02429	10.0
115.00359	22.5
119.03475	5.0
124.98795	5.7
125.02415	8.5
129.01950	1.6
131.03453	1.2
133.05066	1.1
142.99857	36.9
143.03494	2.2
145.01393	2.7
145.93199	1.0
156.00598	1.8
157.01425	1.5
161.04544	3.9
166.07848	1.3
173.00909	8.2
174.01703	19.9
175.02452	38.3
175.03995	1.8
179.05536	5.4
183.13905	5.8
193.12344	1.5
211.13371	100.0
212.13702	4.0
217.07330	1.0
221.06630	3.2
221.11922	1.3
223.13342	1.6
233.11833	1.7
235.08162	6.3
244.82933	1.2
245.11798	3.5
251.12894	1.7
253.14284	1.4
259.08078	1.3
261.11386	1.2
262.28525	1.1
263.07510	1.2
263.12769	3.8
277.21698	73.6
278.22052	3.7
283.38647	0.9
287.07730	2.6
305.08691	3.1
323.09592	1.7
324.58096	1.0
353.24118	1.1
379.12405	16.5
397.13486	55.9
398.13608	2.3
415.14450	10.6
528.28949	1.4
529.35840	1.3
591.26459	11.9
609.27484	8.1
652.50269	0.9
657.34912	4.0
675.35840	7.4
869.49384	4.9
897.48132	1.4
907.46637	3.2
909.48926	1.7
921.48615	2.8
925.48096	16.0
926.48712	2.2
927.49780	1.4
939.48779	3.9
943.49231	4.2
951.50757	1.4
955.47522	1.2
963.49280	3.0
965.47540	12.9
966.48438	1.9
983.48145	7.4
1007.47314	2.7
1025.49170	8.1
1043.50244	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	1030.5591
Annotation	Unknow
Peak:m/z	Relative Intensity
72.36018	38.3
90.38087	39.5
99.92546	41.3
116.92843	100.0
134.19525	38.5
168.43483	34.8
233.28279	38.6
1041.63928	51.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1030.559
Annotation	Unknow
Peak:m/z	Relative Intensity
84.18618	15.2
87.52343	15.2
116.92863	100.0
131.69861	18.7
138.71301	19.7
309.20782	21.2
511.18488	17.2
578.94348	17.8
916.89471	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	1030.5163
Annotation	Unknow
Peak:m/z	Relative Intensity
72.00896	0.8
74.02469	8.4
82.02947	0.7
86.02473	3.2
86.06149	0.7
86.99084	1.4
87.05636	2.0
90.00153	0.9
97.04079	1.1
99.05644	7.7
101.07249	0.8
102.05592	2.0
109.04054	2.0
111.05686	0.7
112.04037	0.9
116.92871	0.8
123.05680	1.4
127.05118	1.6
128.03540	24.3
135.05643	3.2
141.06708	1.4
143.04617	28.2
143.05748	1.5
145.06172	1.7
146.04579	2.5
153.06667	2.1
160.00754	9.4
166.09871	1.9
167.04607	1.6
167.08237	1.9
177.03348	3.2
179.04614	8.8
181.06148	1.1
185.05687	1.0
185.84723	0.7
186.75653	0.7
195.10692	0.6
210.08780	7.3
251.99153	0.9
254.07806	8.2
272.08871	15.5
277.21732	1.0
288.06604	6.0
306.07629	100.0
307.07870	3.1
1030.51001	4.5
1031.52222	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	1027.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	10.1
71.38905	0.6
72.99287	2.1
74.12060	0.4
87.00876	0.9
89.02460	2.2
91.05531	1.1
103.21428	0.4
105.03446	1.0
107.05030	0.7
109.02958	3.5
115.00375	38.2
117.03512	0.6
119.05025	0.5
121.02970	1.4
122.17985	0.4
129.07088	0.7
130.04245	1.5
132.76411	0.5
133.01431	100.0
133.02856	5.3
134.01781	1.0
134.03816	2.5
135.04524	32.2
136.04800	0.5
146.03766	1.5
147.04527	9.3
148.05321	4.0
159.04521	3.5
161.02452	1.7
161.06082	0.7
163.03915	0.4
165.12506	0.4
171.04510	7.0
172.05296	5.0
173.02493	1.0
173.06075	8.7
174.03194	7.1
175.03799	0.5
176.01108	0.4
177.01949	2.9
178.02472	1.2
179.03505	27.8
180.03873	0.8
183.04565	0.8
185.06042	0.8
186.01543	0.4
197.06059	4.9
199.03990	2.5
203.03497	0.9
206.02226	3.7
209.06064	1.0
223.03850	0.5
237.05531	0.4
249.09306	0.6
251.07147	7.8
251.10878	0.9
273.05542	0.6
277.08652	0.5
289.04904	0.7
290.05563	0.4
291.06665	0.8
295.04599	4.2
296.04584	0.5
301.08737	2.4
311.52438	0.5
317.08191	1.4
319.09738	58.6
320.10092	3.6
343.06036	0.6
343.09869	0.7
345.07666	19.3
346.07996	1.0
361.10690	0.6
363.08728	1.5
365.08707	0.7
371.05542	0.6
387.08783	1.1
389.06720	2.2
407.07666	1.0
450.02356	0.5
452.06357	0.4
481.15048	7.1
482.15195	0.7
507.13071	3.6
525.13977	6.6
526.14520	0.6
536.62341	0.4
549.14093	1.0
551.11890	3.7
553.05188	0.5
569.04077	1.0
569.12994	19.2
570.13397	1.7
641.27130	0.5
643.20325	0.9
667.24231	0.5
687.19153	7.1
688.19598	0.6
713.17310	0.4
731.18268	44.0
732.18658	5.1
911.21948	0.5
928.13617	0.5
953.11188	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
71.50359	0.4
73.02938	0.7
80.11833	0.3
83.01397	0.5
85.02940	0.3
88.67282	0.3
89.02425	0.3
91.78111	0.3
93.03445	0.8
94.97124	0.3
101.02443	0.7
107.01372	1.5
109.02944	0.5
113.02439	0.7
120.26124	0.4
121.02885	0.3
132.02164	0.7
135.00880	1.1
143.04967	0.7
150.03314	0.3
151.00348	1.2
153.01930	0.4
157.06551	0.6
159.04498	1.1
161.02513	0.3
163.00339	2.3
165.17403	0.3
167.04996	0.4
169.06511	0.7
183.04504	0.9
185.02338	0.4
185.06047	1.3
187.04054	1.6
195.04582	0.7
197.06021	0.7
199.03979	0.9
200.04744	0.3
201.05571	0.8
211.03969	4.6
212.04597	0.4
213.05573	1.2
215.03444	0.3
215.33730	0.3
227.03505	19.7
227.06982	6.2
228.03922	1.3
229.05023	7.9
239.03444	1.3
240.04274	0.7
241.05013	1.3
245.04280	0.3
255.02969	44.3
256.03555	3.8
257.04544	4.1
267.02838	0.7
267.06549	0.5
283.02432	0.4
284.03244	69.1
285.04007	74.9
286.04376	3.6
315.19327	0.4
449.14386	0.8
489.10364	100.0
490.10712	7.2
765.84869	0.3
1024.72717	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.5903
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	9.1
71.50335	3.1
83.01352	2.2
85.02926	2.8
87.00893	4.3
89.02441	8.7
95.76342	2.0
101.02454	8.3
101.60193	2.0
113.02455	3.3
119.03438	2.7
125.02452	2.8
161.04597	4.0
179.92807	2.0
183.10201	2.9
195.13908	3.9
235.08176	4.2
235.16893	2.1
275.20239	12.2
277.21725	37.2
287.07690	3.1
293.21246	100.0
294.21600	4.7
341.89050	2.4
379.12411	3.6
397.13434	34.4
398.13745	3.1
415.14539	9.4
614.35614	2.6
625.13226	2.4
675.35992	3.8
727.09967	2.9
819.23303	2.4
951.77698	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	1014.5636
Annotation	Unknow
Peak:m/z	Relative Intensity
70.56281	62.3
70.56622	100.0
72.18530	38.9
93.87073	39.3
104.75478	42.4
115.92870	42.3
125.19405	52.1
135.69742	42.1
369.86511	46.8
370.42453	42.8
378.17166	48.6
695.05182	46.3
954.82013	55.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0245
Annotation	2-Methyl-3-oxopropanoate
Peak:m/z	Relative Intensity
51.48275	1.7
52.11632	1.9
54.63008	1.6
55.01881	40.0
57.03445	10.3
58.00597	7.9
59.01383	74.3
68.99792	2.1
69.85065	7.4
71.01388	40.7
72.99306	5.5
73.02952	100.0
74.03287	2.8
82.24987	1.7
83.01393	6.1
84.95123	3.1
99.92612	2.0
100.94620	94.7
101.02450	48.4
101.03116	3.2
102.02789	2.3
102.05595	10.3
115.92094	6.3
116.40643	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	101.0244
Annotation	2-Methyl-3-oxopropanoate
Peak:m/z	Relative Intensity
55.01874	21.8
57.03437	8.9
58.00603	9.2
59.01376	99.1
60.01717	1.8
61.98835	2.6
69.38937	7.5
69.39363	4.7
70.12492	1.7
71.01379	56.5
72.99299	7.8
73.02943	100.0
74.03296	3.5
83.01390	5.4
86.00101	5.7
87.00886	1.9
97.78568	1.7
98.19904	3.5
101.02438	44.9
101.06085	7.2
102.05613	7.7
115.92066	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	1007.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01006	0.8
71.01374	7.4
72.99316	2.0
73.02937	1.0
75.00864	6.1
75.41022	0.4
83.01382	0.7
85.02946	8.6
87.00880	2.4
89.02437	1.3
93.03440	1.2
95.01368	2.2
99.00864	3.4
101.02424	0.8
103.00423	0.4
109.02982	0.5
113.02448	8.5
115.00365	0.7
117.01901	1.0
129.01909	0.8
131.03482	0.5
133.01346	0.5
135.11794	3.0
146.53023	0.4
151.00369	1.1
159.04526	0.8
161.09700	0.8
163.00349	0.9
175.02470	1.3
179.10759	11.0
185.06053	1.1
187.04082	0.5
187.05898	0.4
189.05629	0.5
195.04482	0.4
201.05411	0.5
209.24431	0.5
211.03941	0.6
213.05563	0.5
222.04507	0.5
223.09752	0.8
227.03467	9.6
229.05017	4.2
231.05115	1.3
238.08968	0.4
239.03613	1.0
241.05113	0.5
249.06134	13.2
250.06482	0.7
255.02974	21.9
256.03479	2.5
257.04666	2.2
267.07239	1.8
284.03232	34.4
285.03989	32.4
286.04337	1.7
287.04678	0.5
297.13379	3.0
429.17578	5.0
430.18280	0.7
455.15222	0.5
473.16583	100.0
474.16949	7.6
489.10342	40.7
490.10666	4.4
491.10989	0.8
664.28192	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.4743
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	8.7
71.06829	0.8
77.03976	2.6
79.84040	0.4
86.08557	0.4
87.00865	0.4
89.03971	0.8
93.03444	1.0
95.05038	5.3
99.92578	0.7
101.02468	0.6
105.03456	16.4
109.02961	1.0
115.00372	6.6
116.92847	3.8
121.02959	1.9
123.04541	1.7
123.98254	0.5
130.67484	0.5
132.02185	1.1
133.02954	100.0
134.03767	16.4
135.04559	4.6
137.02434	10.2
139.03958	2.4
149.02422	0.9
150.03181	0.8
165.01860	0.7
177.01920	82.4
178.02696	24.8
178.04298	0.9
179.03488	8.8
187.03922	0.8
211.13362	7.7
235.08209	0.6
277.21719	6.3
292.10559	0.5
309.14835	2.3
327.16010	4.1
367.28638	0.5
447.22226	1.1
481.25610	0.7
563.24902	0.6
581.25623	0.8
587.25745	0.5
629.78558	0.5
707.43781	2.4
823.46503	2.4
841.47321	13.0
842.47241	1.6
885.46423	19.2
886.47028	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	1001.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
69.34288	1.1
71.01382	0.4
73.02950	0.5
83.01360	0.2
93.03535	0.1
101.02431	0.4
106.35701	0.1
107.01416	0.2
113.02449	0.3
121.03051	0.1
122.03732	6.2
123.04507	0.2
149.04576	0.2
150.03220	92.2
151.03545	2.4
165.05562	100.0
165.35213	0.1
166.05904	3.2
195.06503	0.2
457.16385	0.2
543.14905	0.2
1001.31262	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1000.5842
Annotation	Unknow
Peak:m/z	Relative Intensity
70.16074	100.0
99.73605	21.9
158.51181	24.8
212.18111	30.0
229.71539	24.7
279.23386	26.2
311.72855	28.3
1000.24207	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	991.5605
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03435	2.5
69.07081	0.9
71.01364	0.3
71.05006	0.5
73.02918	3.2
79.05508	1.9
81.03413	1.3
81.07060	2.5
83.05004	0.5
83.08608	0.3
85.02903	4.2
85.03381	0.3
87.04469	0.2
91.03952	2.4
91.05466	1.3
93.07043	2.1
95.04987	0.5
95.08615	1.8
97.02892	4.1
97.10193	0.3
98.05430	0.2
99.04481	0.8
101.02379	1.5
105.07034	1.0
107.08616	1.4
109.02906	0.4
109.06521	0.3
109.10201	0.5
113.98915	0.2
115.03947	0.3
116.66805	0.2
117.07012	0.4
119.08613	0.8
121.10174	0.7
123.11687	0.3
127.03926	1.4
131.08620	0.5
133.10181	0.8
135.11703	0.6
145.05023	0.3
145.10201	0.4
157.85582	0.2
159.11818	0.2
185.04248	0.8
203.05318	0.7
235.13292	0.2
243.08458	1.9
244.08665	0.3
245.03503	0.2
305.08331	0.3
333.20404	1.6
335.25940	0.4
347.09540	2.5
363.08804	0.5
365.10864	0.8
389.23315	0.3
405.13705	5.5
405.18524	0.4
439.19913	0.6
453.21426	0.3
477.26141	0.2
519.29437	4.2
551.28284	2.1
611.85889	0.2
615.26611	0.2
680.27075	0.3
681.34601	5.7
682.35547	0.4
713.33423	2.3
829.51129	0.8
893.48187	0.6
991.56030	100.0
992.56415	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	975.5657
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03433	2.3
73.02932	2.9
79.05508	1.9
81.03444	1.7
81.07043	2.6
85.02920	4.5
87.05029	0.5
91.03955	2.6
91.05494	1.8
93.07067	1.9
95.08634	1.4
97.02905	4.9
101.02411	1.9
105.07043	0.9
107.08657	0.7
109.02927	0.7
117.08995	0.5
119.08581	0.5
121.10152	0.9
127.03958	1.0
131.08611	0.8
133.10155	0.5
203.05371	1.1
229.67905	0.6
243.08553	1.7
275.59732	0.5
347.09668	2.4
365.10773	1.4
405.13763	5.9
476.17361	0.5
519.29456	3.2
535.28888	3.0
681.34595	6.8
684.68658	0.5
697.33960	3.7
749.44861	0.6
813.51697	1.1
966.46515	0.5
975.56555	100.0
976.56659	8.1
992.50037	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.5437
Annotation	Unknow
Peak:m/z	Relative Intensity
70.23386	4.7
108.44064	1.3
142.83667	1.3
166.12430	1.3
178.04196	1.5
213.04599	1.3
296.46982	1.4
312.32544	12.4
313.33130	3.6
327.07870	1.4
432.93246	1.3
503.81635	1.4
519.61005	1.6
975.54498	100.0
976.54529	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	975.5651
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	2.1
69.07063	0.7
70.25193	0.2
71.01366	0.6
71.04997	0.5
73.02918	3.2
79.05493	1.7
81.03432	1.4
81.07048	2.4
83.09231	0.2
85.02913	4.5
87.04475	0.4
91.03960	2.4
91.05482	1.8
93.07037	2.5
95.04995	0.3
95.08623	1.2
97.02901	4.4
99.04469	0.7
101.02389	1.6
105.07037	1.3
106.23450	0.3
107.08581	1.2
109.02867	0.5
109.10184	0.7
115.03982	0.5
117.07041	0.5
119.08609	1.0
121.10179	0.9
127.03913	1.4
129.05507	0.3
131.08563	0.3
133.10178	0.8
135.11731	0.6
145.10130	0.4
147.11661	0.5
149.13335	0.3
159.11714	0.4
161.13269	0.3
185.04291	1.1
201.03761	0.6
203.05380	0.8
243.08434	2.0
301.09113	0.6
311.25272	0.3
335.25900	0.5
347.09497	2.7
363.09113	1.1
365.10779	1.1
397.18753	0.3
405.13745	5.6
443.96085	0.3
463.14365	0.7
465.20993	0.5
475.14377	0.4
477.15945	0.5
491.18170	0.3
519.29224	3.3
535.28802	3.4
547.24286	0.3
559.23621	0.5
594.87872	0.3
613.24005	0.3
627.26404	0.3
681.34625	5.6
697.34045	4.3
753.36890	0.9
813.51550	1.0
975.56537	100.0
976.56689	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	970.6143
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03445	5.6
69.07075	16.3
69.24564	12.0
70.37154	1.1
71.05016	3.0
73.02915	7.4
74.48453	1.1
74.83971	1.5
77.03938	2.2
79.05019	1.8
79.05493	52.2
81.03424	3.6
81.07059	64.5
83.04988	2.2
83.08615	7.0
85.02900	17.9
85.03370	1.4
85.06564	3.3
91.03968	10.0
91.05481	43.8
93.07047	66.8
95.04997	5.4
95.08611	49.5
96.63979	1.2
97.02892	13.2
97.06551	3.3
97.10211	4.5
97.75171	1.1
99.04458	1.7
99.08082	1.9
101.02358	1.8
103.05462	1.4
105.04520	2.4
105.07032	37.7
107.08604	38.3
107.09309	2.6
109.02881	1.3
109.06542	5.1
109.10166	18.8
111.08068	3.2
115.03993	1.4
117.07010	13.9
119.08585	28.9
121.10150	27.4
123.08089	4.2
123.11700	6.7
125.09663	1.7
127.03959	5.1
128.06189	1.4
129.07005	7.1
131.08582	18.4
133.10139	24.6
133.11081	1.5
135.11705	19.1
141.06953	1.2
143.08592	5.2
143.09581	1.4
145.04994	2.9
145.10117	16.5
147.11711	19.0
149.13287	10.4
157.10188	5.7
159.11716	13.4
161.13242	11.6
163.06010	2.7
163.11252	1.9
163.14835	2.5
169.10127	1.5
171.11678	6.0
173.13228	8.6
174.52817	1.2
175.14859	2.7
177.12833	1.5
177.70551	1.1
179.14401	1.7
183.45110	1.3
185.13336	5.1
187.14822	7.8
199.14949	3.6
199.82416	1.1
201.16411	3.0
203.14351	1.3
203.18021	1.5
205.15985	3.8
221.19273	2.1
231.21201	2.1
241.19513	7.4
243.08461	1.5
243.21233	2.0
257.19171	2.2
259.20569	19.6
261.22186	6.3
277.21643	17.9
280.70822	1.1
295.22781	1.7
315.23248	1.8
333.20392	2.4
333.24100	14.5
335.25803	97.2
336.26425	1.9
347.09949	2.0
351.25342	30.4
351.29529	1.6
397.87741	1.3
405.14008	4.2
406.14200	1.6
497.30850	3.3
498.31671	2.6
519.41907	1.3
529.39001	3.7
551.28162	1.9
571.43793	1.9
593.46368	2.4
611.46692	46.8
612.46448	1.7
629.47748	1.7
659.36383	1.7
660.36688	2.2
714.33832	3.5
969.58289	1.7
970.57959	100.0
971.58405	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	970.6104
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	6.1
69.07079	24.8
69.56837	14.8
73.02917	6.2
79.05499	80.8
81.03423	4.4
81.07058	88.4
83.04961	6.8
83.08624	11.1
85.02526	2.1
85.02921	25.1
85.06544	4.1
91.03960	11.5
91.05487	87.9
93.07050	100.0
95.04962	7.8
95.08614	75.0
97.02908	11.4
97.06521	5.6
97.10167	4.5
98.20844	3.1
99.08077	3.4
101.02404	2.2
103.03981	2.5
105.04488	3.0
105.07037	78.1
107.08599	47.3
109.06514	4.7
109.10161	34.0
111.08053	3.2
115.05477	3.2
117.06342	2.9
117.07043	29.2
119.08591	65.3
121.10162	40.2
123.11707	7.7
127.03893	5.3
128.06227	3.5
129.07034	12.0
131.08583	34.2
133.10136	52.5
135.11697	29.1
141.06989	3.2
142.07753	2.4
143.08598	15.9
145.04953	6.2
145.10127	33.0
147.11696	38.1
149.13249	19.6
157.10146	10.5
159.11713	31.2
161.13271	31.2
163.06030	10.3
163.14819	8.1
169.10107	4.3
171.10542	2.0
171.11717	17.0
173.13266	20.8
175.14799	13.2
181.10240	2.7
183.11670	3.1
185.13286	12.9
187.14801	7.6
189.16283	2.4
191.71379	2.1
199.14854	9.1
201.16437	5.3
211.14842	4.5
213.16428	3.3
215.17981	3.6
217.19354	2.5
231.21075	5.0
239.17969	4.9
241.19519	24.9
243.21074	5.5
257.19016	10.0
259.20593	69.8
261.22107	9.1
262.76205	2.4
297.22116	2.3
315.23187	7.3
331.22717	2.7
333.24255	56.9
335.25836	97.4
337.27420	4.8
351.25458	2.7
367.22476	4.6
519.41779	6.4
537.43445	3.5
538.94702	2.4
593.45508	21.2
609.45044	3.7
611.46741	95.9
612.46875	4.7
623.46027	2.8
701.47198	3.1
719.48340	3.7
737.50031	3.7
755.50385	3.1
773.32556	2.4
970.56085	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	964.5266
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06580	0.7
71.09230	1.3
72.80905	0.5
81.07049	0.6
85.02898	0.8
158.30405	0.6
194.34392	0.5
205.37708	0.5
304.50629	0.6
455.13266	0.7
468.14233	1.3
469.14786	6.3
470.15756	1.2
481.15054	1.1
482.15906	7.9
483.16525	8.0
484.17310	1.5
496.17526	4.7
497.18253	32.7
498.18848	3.8
510.18936	1.9
511.19772	4.5
512.20831	1.3
515.19263	1.0
528.16724	1.2
542.18164	1.9
556.19427	3.4
557.20496	2.4
558.20673	0.9
569.20496	0.9
579.30969	0.6
616.21503	2.0
643.23895	9.0
644.24927	9.0
645.25342	0.9
657.25513	10.0
675.26630	100.0
676.27161	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	964.6207
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	39.9
69.03436	7.5
69.07072	17.6
69.07432	2.1
69.29378	9.0
71.04985	3.2
71.08242	1.4
71.08635	26.4
73.02908	4.2
79.05496	28.8
81.03425	8.2
81.07063	55.8
83.05003	8.2
83.08627	14.8
85.02917	10.4
85.06538	3.3
85.10192	14.8
91.03951	4.3
91.05486	31.5
93.07053	29.9
95.04984	5.1
95.08609	31.8
97.02898	8.4
97.06538	8.5
97.10178	9.4
98.21581	1.8
99.04462	2.3
99.08089	2.9
103.07584	1.3
105.04503	1.2
105.07037	22.6
107.04948	5.2
107.08597	20.1
109.06525	4.8
109.10168	17.0
111.04472	1.6
111.08089	3.4
111.11734	1.2
117.07033	11.2
119.08591	15.6
121.06493	4.2
121.10146	10.0
123.04483	1.0
123.08092	2.5
123.11745	6.4
125.09595	2.8
127.03880	3.4
129.05461	1.7
129.07005	3.2
131.08565	12.8
133.06511	1.3
133.10141	15.9
135.08080	2.4
135.11696	11.1
137.05930	1.2
137.09572	1.6
137.13231	2.0
141.06973	2.0
142.07687	1.0
143.08531	3.8
145.04936	2.1
145.10126	10.8
147.08002	1.6
147.11674	5.9
149.09633	7.1
149.13271	8.0
151.11195	1.3
157.10176	3.6
159.11693	10.3
161.09624	2.0
161.13269	2.5
163.06070	1.1
163.11188	4.3
165.09021	1.0
169.10121	1.7
171.11664	3.2
173.04446	2.7
173.11914	1.3
173.13287	3.0
175.11189	1.3
175.14796	1.1
177.12738	2.6
183.11655	1.8
185.13297	1.6
195.13799	4.0
198.45819	1.2
199.14775	1.4
217.15863	3.6
227.12793	3.7
229.14426	4.6
229.19566	1.1
235.16904	1.9
239.17941	1.8
239.23640	3.0
247.20694	1.8
255.15913	9.9
257.19003	9.0
257.24783	2.1
267.15918	1.2
269.17484	32.0
275.16934	1.4
275.20062	27.2
283.18921	1.5
291.19504	2.8
293.20959	1.8
309.20612	4.4
312.32397	1.1
313.27383	100.0
314.27789	2.6
331.22675	3.7
335.32358	1.0
339.17834	1.1
349.23788	27.3
367.24734	3.6
370.44135	1.0
413.21689	4.5
467.37534	5.7
493.38910	15.1
507.40494	88.8
508.40884	2.6
523.39758	1.2
547.43524	12.9
587.46753	38.8
588.46820	1.2
605.47571	10.6
651.44366	2.0
705.46967	1.1
749.51880	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	961.5866
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05517	4.1
69.03437	2.6
69.07079	1.5
71.08640	1.0
73.02924	2.8
79.05502	2.6
81.03421	1.2
81.07060	4.7
83.08636	0.5
85.02905	6.0
91.03960	3.2
91.05498	2.1
93.07044	2.9
94.33057	0.4
95.08615	3.4
97.02897	4.8
99.04479	1.1
101.02393	1.4
105.07073	0.6
107.08617	1.1
109.02876	1.0
109.10181	1.8
109.27830	0.4
109.84184	0.4
119.08595	0.5
121.10181	1.3
123.11723	1.0
127.03972	1.7
131.08618	0.6
133.10129	0.5
135.11713	0.9
145.10176	0.5
149.13223	0.6
161.13246	0.6
185.04288	0.6
203.05222	0.5
209.87393	0.4
229.06316	0.5
238.71060	0.5
243.08524	1.7
243.21204	0.6
255.11969	0.4
261.22247	1.6
262.22470	0.5
335.25784	3.5
336.26233	1.2
341.30646	3.1
342.31055	1.7
347.09732	1.8
365.10513	0.9
405.13693	5.5
519.29236	2.8
521.30737	3.2
601.52319	0.8
602.52533	1.9
681.34656	5.4
683.35968	3.3
799.53278	1.2
906.82458	0.5
961.58624	100.0
962.58954	6.2
970.91193	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	960.6619
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	44.1
69.03423	4.1
69.07071	14.0
71.01350	2.0
71.04971	2.4
71.08639	23.7
73.02925	6.0
79.05502	26.1
81.07060	49.6
81.07533	2.6
83.08621	9.9
85.02916	19.3
85.06523	1.8
85.10192	12.7
91.03965	11.1
91.05488	14.4
93.07045	26.8
95.08608	43.9
95.09175	2.7
97.02880	13.9
97.06594	2.2
97.10170	9.5
105.07017	9.8
107.08585	17.4
109.10162	21.4
111.11734	2.0
117.07039	4.1
119.08617	6.1
121.10141	14.8
122.23189	1.9
123.11745	6.8
127.03948	5.2
131.08603	6.4
133.10199	4.7
135.11656	10.3
137.13263	3.6
145.05008	5.8
145.10188	5.8
147.11710	5.3
149.13289	5.1
159.11755	4.8
161.13283	5.7
163.06096	5.1
163.14908	4.1
173.13330	3.5
201.53636	2.1
233.22758	2.4
243.08687	1.8
243.21094	11.2
261.22171	38.4
267.26730	2.9
317.24884	5.5
335.25812	84.5
336.26492	2.7
341.30515	100.0
342.31012	3.6
351.59247	1.8
365.06143	1.9
406.14359	2.2
453.65475	1.8
512.75238	2.1
519.29352	2.4
520.30273	2.5
527.48157	1.7
531.80347	1.7
601.51923	40.8
602.52319	2.3
619.53021	4.9
960.57349	68.1
961.58368	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	957.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
71.48078	2.8
89.03934	4.8
97.02900	4.8
98.97594	3.7
99.67038	2.7
101.00893	10.2
106.10145	3.0
109.02882	2.6
113.00838	3.6
117.03354	3.6
119.01952	12.9
127.02436	3.1
131.01918	11.7
135.04410	9.8
143.01906	17.0
145.03516	11.6
147.61194	2.5
155.01918	28.0
157.02042	2.3
157.03471	6.9
161.03004	21.6
163.03911	97.9
167.01913	4.0
169.03404	3.2
173.02972	66.4
174.03070	3.2
185.02965	29.8
187.04472	4.4
191.03955	2.6
197.02983	9.4
203.02165	3.4
203.03969	12.1
209.02927	2.9
215.04059	8.4
217.01939	4.7
221.02979	73.2
221.05014	5.4
227.03998	4.9
229.05653	3.3
237.02951	3.8
239.04012	14.9
245.02940	10.5
245.05109	55.5
247.04568	6.7
257.05203	17.5
263.04031	34.0
263.06299	5.7
273.04657	4.1
275.03925	8.7
275.06570	12.1
281.05099	100.0
293.05069	7.2
299.06375	13.0
311.06216	12.3
317.05148	5.2
319.02664	5.3
319.12637	3.7
323.06226	13.7
335.05945	3.5
353.07126	3.0
365.07355	33.6
379.05072	9.5
383.08209	46.5
384.54807	2.7
409.06006	2.6
437.11499	3.2
439.07062	10.2
481.08484	13.9
491.20038	2.7
499.09326	35.4
545.13318	31.1
561.11127	4.1
587.45825	2.8
615.16888	5.0
640.87018	3.6
643.13635	4.4
661.14557	77.4
662.14301	6.3
782.65192	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	956.631
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	86.5
67.18566	0.8
69.03421	3.8
69.07074	29.3
69.16307	6.4
69.16717	1.5
71.04985	3.3
71.08620	3.1
73.02919	6.4
77.03892	0.9
79.05499	44.6
81.03422	1.8
81.07063	96.4
82.07389	1.5
83.04977	2.6
83.08625	18.9
85.02909	25.5
85.06530	3.1
85.10172	1.3
91.03960	15.5
91.05486	31.0
91.90299	1.0
93.07050	53.7
95.04982	3.8
95.08614	73.6
96.04489	1.0
96.08938	1.0
97.02899	13.8
97.06534	5.2
97.10178	9.5
99.04450	1.3
99.08108	3.0
103.05425	1.4
105.04552	1.4
105.07037	21.5
107.08601	31.8
109.02941	1.2
109.06538	1.5
109.10166	34.4
111.08082	2.4
111.11744	1.9
112.33985	0.8
113.09642	1.8
114.22499	0.8
115.03921	1.7
117.07029	7.3
119.08591	20.9
121.10151	26.1
123.08094	1.9
123.11710	12.0
125.09628	1.5
126.76482	0.9
127.03932	7.1
128.02917	0.7
129.07037	2.0
131.08572	12.8
133.10136	19.2
135.11705	18.3
137.09630	1.6
137.13274	4.5
139.11182	2.2
143.08588	1.8
145.04964	10.9
145.10127	10.4
147.11702	13.9
149.09656	1.2
149.13257	12.0
151.11115	1.1
151.14818	2.3
155.08542	1.1
155.94714	0.8
157.10149	1.4
159.11714	10.0
161.13263	8.9
163.06039	10.3
163.14870	7.4
165.16443	1.4
171.11720	2.3
173.13260	7.7
175.14838	7.1
177.16393	3.2
180.08571	1.1
185.13290	3.2
187.14857	5.0
187.16270	0.8
189.16422	2.3
191.17908	1.0
198.47908	0.9
199.14970	1.2
201.16397	1.9
203.18008	1.1
205.15961	1.1
205.19661	1.1
207.17337	0.9
213.16470	1.2
215.17874	1.2
217.19530	0.9
231.21069	1.3
233.22557	2.1
241.19453	3.1
243.21136	9.2
245.22691	3.1
247.24452	0.9
259.20609	7.2
261.22171	26.6
263.23773	4.9
273.22189	1.2
275.23566	1.1
279.23175	2.2
287.23727	0.8
299.23816	0.9
301.25153	1.5
315.26794	1.2
317.24762	5.0
333.24298	7.3
335.25821	91.5
336.26196	3.5
337.27396	100.0
338.27689	2.9
339.28964	8.3
427.85086	0.9
523.45215	5.2
531.40143	1.2
541.45380	1.9
561.46210	0.9
597.48779	43.1
598.49054	1.7
615.49878	50.1
616.50146	2.1
693.24591	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.6148
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	61.8
69.03416	2.4
69.06740	1.1
69.07072	14.5
71.04967	1.8
71.08619	0.7
71.26487	1.1
71.26845	1.3
73.02914	3.4
77.03901	0.8
79.05495	37.9
81.03382	1.2
81.07057	61.7
83.04955	2.1
83.08621	8.0
85.02383	0.9
85.02907	18.6
85.06541	1.8
90.74316	0.7
91.03954	12.3
91.04901	0.9
91.05482	23.8
93.07043	48.5
95.05006	4.0
95.08607	46.8
97.02896	9.4
97.06518	2.9
97.10169	3.0
99.04440	1.0
99.08091	1.5
103.05492	0.7
105.04516	1.3
105.07035	18.6
107.07886	1.5
107.08601	26.5
109.02832	0.9
109.06541	1.0
109.10160	23.3
111.08070	0.9
115.03889	0.9
117.06348	0.7
117.07027	7.4
119.07810	1.2
119.08584	15.7
121.10142	22.6
123.08040	1.2
123.11707	8.1
127.03925	5.0
129.07004	1.9
131.08566	13.9
133.10120	14.0
135.11691	15.1
137.09615	1.2
137.13264	3.3
139.11133	0.8
143.08557	2.0
145.04987	6.9
145.10129	10.3
147.11690	13.1
149.09581	1.4
149.13254	8.3
151.11159	1.0
151.14882	1.2
153.65242	0.8
157.10146	2.7
159.11697	11.2
160.10008	0.7
161.13275	9.1
163.06006	8.9
163.14803	5.0
165.12804	0.8
169.10187	0.8
171.11691	2.7
173.13260	8.8
175.14862	4.9
177.16290	1.9
179.14337	0.8
183.11797	1.2
185.13222	2.7
187.14799	4.1
199.14828	2.1
201.16405	2.3
213.16420	1.0
215.17946	1.2
217.19597	1.1
223.14914	0.8
227.17970	0.8
231.21112	1.2
233.22806	0.7
241.19547	3.7
243.21083	5.8
245.22679	1.2
257.18875	1.1
259.20557	9.7
261.22162	18.9
263.23727	2.7
273.22086	0.8
275.23840	0.7
291.22903	0.8
315.26947	0.9
317.24823	4.9
327.26968	0.9
333.24197	9.1
335.25803	100.0
336.26138	2.9
337.27371	12.3
347.25372	0.8
489.35773	0.7
503.36896	0.8
511.62686	0.7
521.43799	3.3
529.38928	0.9
539.44586	1.6
543.40283	0.8
594.41705	0.7
595.47180	17.6
613.48291	22.6
614.49146	1.0
799.43762	0.9
871.34973	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	940.5991
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	93.7
69.03422	3.8
69.06725	1.8
69.07072	21.0
69.82878	7.3
71.04993	3.5
73.02934	7.1
77.03904	1.5
79.05499	66.4
81.03430	1.6
81.07062	100.0
83.04979	2.8
83.08624	12.4
85.02908	27.4
85.06535	4.1
91.03961	20.5
91.05487	40.7
92.63009	1.3
93.07047	76.4
95.04970	4.4
95.08613	82.0
97.02900	15.9
97.06533	5.1
97.10145	5.1
99.08078	3.3
105.04519	1.4
105.07040	37.6
107.07880	2.5
107.08604	43.5
109.06523	2.1
109.10157	38.3
111.08076	2.7
111.11787	1.7
117.05556	1.6
117.07037	12.4
119.08581	28.6
119.09376	2.5
120.55289	1.4
121.09348	2.8
121.10152	37.1
122.06924	1.4
123.08130	1.6
123.11719	12.5
125.09676	1.7
127.03929	9.1
129.07022	4.0
131.08585	22.2
133.10139	26.2
135.11696	27.5
137.09596	1.6
137.13223	4.6
143.08522	4.1
145.04977	9.8
145.10147	24.4
147.10660	2.2
147.11708	22.8
149.09624	1.9
149.13260	15.6
151.14922	1.5
157.10165	4.5
159.11707	15.6
161.13287	10.2
163.05989	11.3
163.14830	7.6
171.11711	6.5
173.13264	13.8
175.14809	6.9
183.11649	2.5
185.13293	5.0
187.14839	6.9
199.14784	2.1
201.16280	2.1
203.17863	1.9
217.19467	2.8
227.17949	5.0
229.19495	4.8
233.22684	2.3
241.19621	2.4
243.21027	6.8
245.18965	8.6
247.20595	15.2
259.20621	9.8
261.22122	21.7
277.21567	1.8
291.23022	1.5
303.23071	3.2
317.24731	3.5
319.22662	6.3
321.24265	89.0
323.25888	10.9
327.26981	1.7
333.24173	8.1
335.25830	90.6
337.27371	11.2
362.62094	1.4
507.41809	6.8
525.43390	2.1
581.45697	35.0
599.46826	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.5859
Annotation	Unknow
Peak:m/z	Relative Intensity
66.60674	0.2
67.05507	1.9
69.03429	3.2
69.07085	0.4
70.97572	0.6
71.01369	0.6
71.08646	0.7
71.63448	0.2
73.02920	3.3
79.05505	1.0
81.03399	1.3
81.07058	2.4
83.08614	0.5
85.02905	5.2
85.10213	0.3
86.68366	0.3
87.04492	0.4
87.41135	0.3
91.03954	3.2
91.05502	0.6
93.07062	1.1
95.08600	1.9
97.02903	5.2
99.04470	0.8
101.02380	1.9
105.07039	0.3
107.08591	0.6
109.02850	0.7
109.10194	0.9
115.03968	0.3
121.10126	0.6
127.03912	1.8
132.04144	0.2
135.11690	0.3
161.13277	0.2
161.79453	0.2
185.04330	1.1
203.05353	0.7
243.08376	1.8
252.87064	0.3
305.51974	0.3
347.09537	2.1
363.09149	0.5
365.10721	0.7
405.13669	5.2
405.18436	0.4
497.30988	3.3
519.29199	4.7
659.35992	3.2
681.34595	5.7
770.84845	0.3
775.53638	1.1
937.58594	100.0
938.58942	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	937.4774
Annotation	Unknow
Peak:m/z	Relative Intensity
66.75655	0.3
67.05505	3.6
69.03432	2.9
69.07066	0.8
69.98708	1.5
71.01366	0.3
71.04987	0.5
72.39703	0.4
73.02929	2.5
73.97861	0.3
79.05495	3.1
80.36502	0.3
81.03436	1.6
81.07069	4.2
83.05007	0.3
83.08623	0.6
85.02907	4.7
85.06578	0.4
87.04477	0.8
91.03969	3.0
91.05488	2.1
93.07049	3.1
95.04958	0.6
95.08617	2.6
97.02916	4.0
99.04466	0.7
101.02391	1.8
103.03982	0.7
105.07060	1.4
107.04999	0.4
107.08588	2.0
109.02938	0.7
109.10161	1.6
113.02161	1.4
114.02909	0.4
115.03931	0.4
117.07024	0.7
119.08606	1.2
121.10155	0.8
123.11713	0.3
127.03924	1.8
129.05516	0.8
131.08600	0.9
133.10156	0.9
135.11696	0.7
145.04997	0.4
145.10193	0.5
159.11691	0.4
185.04231	1.8
201.03790	0.6
212.02956	0.3
229.03232	0.5
234.12305	0.5
235.13083	0.6
243.08401	4.2
249.55927	0.4
267.15829	0.5
273.14551	0.5
301.08994	2.6
313.08908	0.4
315.10556	1.4
327.10562	0.5
329.12192	0.5
335.25949	1.4
343.13641	0.5
355.13855	0.4
357.15225	0.6
369.15179	0.5
371.16779	3.4
373.11237	0.7
383.16891	0.7
423.16104	0.9
425.21564	0.8
429.17358	0.5
441.17267	2.7
453.20969	3.5
469.20935	0.6
469.32724	0.5
519.29340	10.1
535.28662	0.6
591.31390	4.7
605.33221	1.3
633.34631	0.6
647.37537	0.8
659.25226	1.1
661.39557	0.9
687.40668	0.8
701.42944	0.4
730.42426	1.9
731.43304	5.7
937.47528	100.0
938.47888	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	935.5705
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	2.9
69.03429	3.0
69.34304	1.8
69.34722	3.5
71.01347	1.3
71.94710	0.6
73.02920	3.0
79.05506	1.3
81.03437	1.5
81.07069	3.4
83.08641	0.7
85.02906	5.3
91.03952	3.7
91.89262	0.6
93.07059	2.2
95.08618	2.2
97.02895	4.8
98.21514	1.7
99.04469	1.0
101.02399	1.8
109.02884	0.8
109.10142	0.9
121.10171	1.5
123.11806	0.8
125.24583	0.8
127.03911	1.4
200.32062	0.6
243.08528	1.6
252.26007	0.7
347.09610	2.4
356.05963	0.7
363.08850	0.7
365.10687	1.5
393.99454	0.7
405.13638	5.7
495.29706	2.7
519.29340	3.8
616.08167	0.9
657.35114	2.9
681.34595	5.8
773.51501	1.1
935.57062	100.0
936.57318	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	934.6462
Annotation	Unknow
Peak:m/z	Relative Intensity
64.87654	1.2
67.05511	33.6
69.03425	1.8
69.07068	14.3
69.24394	2.3
69.24791	10.2
70.26807	1.4
71.08634	19.4
72.87791	1.3
73.02915	3.3
73.14103	1.2
79.05490	8.0
81.03428	1.8
81.07061	36.1
83.04997	1.5
83.08147	1.8
83.08622	13.4
85.02911	12.9
85.06528	1.6
85.10191	9.5
89.06038	1.5
91.03947	11.2
91.05487	5.3
93.07060	8.0
95.08613	34.3
97.02904	7.1
97.10156	6.2
99.04475	1.7
99.08021	1.5
105.07036	3.1
107.05004	1.9
107.08597	5.7
109.10160	16.2
111.11721	1.5
115.03967	1.5
119.08567	2.1
121.10155	5.1
121.19966	1.3
123.11723	5.4
127.03922	4.3
133.10156	2.9
135.11685	1.3
137.13251	1.6
145.04967	3.8
147.11720	3.5
149.13341	1.6
161.13239	1.8
163.06062	6.5
163.11183	3.6
172.34300	1.3
182.65492	1.4
221.67943	1.5
222.26956	1.3
239.23721	3.2
245.22633	5.1
263.23727	8.6
281.89374	1.5
313.27390	100.0
314.27573	2.0
331.28455	1.6
337.27386	68.9
352.78946	1.4
363.20056	1.6
428.47617	1.6
501.55072	1.7
575.50354	70.0
576.50824	2.4
724.46832	1.4
777.81580	1.7
934.55737	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	932.6313
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03949	1.2
65.68552	0.6
67.05511	35.2
68.63433	0.6
69.03431	1.8
69.06738	1.1
69.07079	12.6
71.04987	1.2
71.08640	19.7
73.02926	4.3
73.34087	0.6
73.34543	0.6
79.05077	1.3
79.05502	20.4
81.07065	46.1
83.08632	10.5
85.02911	15.9
85.06539	1.6
85.10197	11.2
89.06061	1.2
91.03970	10.7
91.05492	11.0
93.06487	1.4
93.07058	25.1
95.04984	1.4
95.08616	38.4
97.02900	7.9
97.06528	2.0
97.10171	5.1
99.08087	1.4
103.07578	1.8
105.04528	1.3
105.07040	7.6
107.08602	16.9
109.10168	17.2
111.11739	1.2
117.07062	3.4
119.08582	7.3
121.10164	13.7
123.11713	6.4
127.03914	4.9
131.08577	6.5
133.10162	6.0
135.11708	9.9
137.13297	3.6
145.04971	5.5
145.10153	6.1
145.35620	0.7
147.11700	4.9
149.13283	7.7
151.14757	1.4
159.11708	3.7
161.13278	4.1
163.06049	7.3
163.14862	4.7
165.12817	1.0
173.13283	5.7
175.14877	2.0
177.16383	2.0
187.14827	3.0
201.16512	0.9
239.23784	4.0
243.21172	8.3
257.24692	1.6
261.22168	38.1
262.22482	1.1
279.23260	1.1
299.23843	1.0
310.40979	0.7
313.27390	100.0
314.27707	2.1
317.24713	6.0
335.25827	75.4
336.26221	1.7
401.28812	0.7
497.31030	0.8
499.45132	1.0
573.48846	44.0
574.49042	2.2
591.49707	6.1
849.19330	0.9
888.22144	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.5219
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	3.6
66.04725	0.8
67.05509	56.5
69.03440	4.1
69.06723	1.2
69.07071	13.8
69.21120	6.6
69.21532	2.1
71.04988	2.6
71.08627	3.1
72.71241	0.7
73.02921	1.7
77.03930	1.6
79.05499	46.4
81.03434	6.3
81.07060	56.7
83.01328	2.0
83.04971	3.3
83.08619	9.2
85.02903	5.1
85.06532	2.6
85.10181	2.2
91.03957	1.6
91.05489	37.0
93.03378	1.7
93.07049	47.0
95.01316	4.9
95.04981	9.2
95.08611	42.3
97.02885	4.5
97.06534	4.5
97.10155	3.3
99.00795	1.2
99.08070	1.5
101.02351	1.0
103.01012	1.0
103.05460	3.4
105.03377	2.7
105.04540	1.4
105.07038	27.4
107.04977	8.1
107.08594	20.3
109.02876	4.6
109.06526	4.6
109.10165	15.0
109.10859	1.8
111.00793	3.6
111.04405	1.0
111.08103	2.9
115.03901	0.9
115.05450	3.6
116.06297	0.9
117.07023	15.7
119.04957	4.7
119.08585	18.5
121.02885	4.7
121.06506	7.1
121.10143	18.9
123.00812	1.0
123.04427	2.9
123.08060	3.1
123.11716	5.8
125.02386	2.1
125.05959	1.1
125.09606	1.3
127.03925	3.5
128.06198	2.5
129.07021	10.3
130.07790	1.0
131.04912	3.8
131.08574	18.2
133.02858	2.9
133.06503	7.3
133.10135	12.3
135.04428	10.2
135.08038	4.1
135.11684	13.3
137.02345	2.0
137.05945	2.2
137.09602	1.7
137.13193	1.1
139.03897	2.3
141.01857	1.3
141.06982	4.8
142.07848	1.8
143.03404	1.0
143.04907	1.0
143.08580	8.2
145.06483	5.8
145.10139	13.9
147.04439	9.3
147.08064	5.8
147.11711	8.5
149.02344	3.7
149.05989	4.7
149.09631	3.0
149.13252	7.9
151.03931	5.8
153.05482	1.2
153.07036	1.6
154.07748	1.3
155.03374	2.7
155.08534	4.5
156.09344	1.5
157.06493	3.6
157.10152	7.1
159.04449	3.5
159.08014	3.5
159.11705	11.1
161.06009	5.8
161.09662	1.5
161.13249	4.3
163.03914	41.5
163.06058	2.1
163.07512	1.8
163.14815	3.4
165.05479	2.9
165.06982	1.5
165.12816	1.1
166.07704	1.2
167.03404	2.1
167.08553	1.8
169.01302	1.8
169.04926	1.1
169.10159	7.0
171.04385	1.5
171.08058	3.2
171.11679	7.8
173.02322	1.3
173.04483	2.0
173.05997	4.6
173.09639	2.7
173.13208	3.3
175.03928	8.8
175.07608	1.4
175.11162	3.6
175.14838	1.1
177.05470	6.8
177.09119	1.0
177.12714	2.4
177.16350	0.9
179.03424	7.1
179.08525	2.0
181.04948	2.2
181.10133	3.4
183.02872	2.4
183.07939	1.8
183.11626	1.2
185.05940	2.1
185.09608	2.5
185.13304	2.1
187.03937	1.7
187.07520	2.0
187.11166	7.2
187.14735	2.3
189.05473	4.0
189.12759	11.1
191.03374	2.4
191.06958	1.4
193.04948	1.5
193.12216	1.1
195.06522	1.1
195.11705	2.3
197.09708	5.2
197.13319	1.3
199.07544	1.6
199.11221	6.1
201.05476	1.4
201.09126	1.9
201.12721	1.0
203.07054	1.3
203.10649	1.8
205.05005	2.0
205.10370	1.0
205.12250	3.9
207.11743	1.1
209.09641	2.5
211.11063	1.0
213.12726	2.1
215.10614	8.2
217.04948	1.4
217.12177	5.1
221.04449	1.1
223.11189	3.0
225.09116	2.9
225.12741	1.2
227.10666	4.9
231.13760	1.1
233.11678	11.7
235.13217	1.8
241.12207	3.1
243.10193	11.0
243.13786	1.3
243.21133	6.2
245.11818	5.3
247.13405	0.9
249.14943	1.1
251.10637	1.6
253.12138	1.1
255.10011	1.4
257.11670	1.1
259.13324	3.7
261.11209	10.2
261.22162	19.6
263.12729	2.2
269.11743	5.0
271.13260	3.8
273.11295	2.7
277.14493	1.4
279.12259	5.8
287.12747	8.4
289.14346	12.4
291.12265	1.1
293.13922	9.5
297.10748	1.4
297.13547	2.4
305.13800	5.7
311.14981	9.1
313.27368	17.3
315.12320	4.8
317.24808	2.3
319.15576	1.6
323.14890	3.4
333.13361	18.0
333.24176	5.9
335.14990	5.3
335.25809	100.0
336.26077	3.0
347.15012	4.5
351.14282	3.8
365.16205	3.9
367.17572	31.1
368.17767	1.0
379.17599	8.5
383.17114	1.9
389.15674	2.5
403.17648	0.9
407.17020	10.4
421.18396	3.0
439.19678	6.5
457.20740	14.7
475.21640	5.2
479.80096	0.8
521.30444	1.0
527.37421	4.1
528.37726	1.1
529.39221	1.7
545.38171	2.0
557.32733	1.9
565.35571	1.2
573.48755	7.3
575.33948	1.7
579.36633	1.2
587.61908	0.9
591.49664	1.6
595.15088	1.0
595.36255	1.9
607.35968	2.4
613.36176	1.3
615.39661	1.3
621.37848	1.4
625.37134	2.4
627.38983	16.8
628.39185	1.1
631.36377	4.0
639.38715	9.2
649.37457	6.2
657.40143	4.7
663.38391	1.3
667.38354	27.6
668.38623	2.1
681.40027	21.9
682.40070	1.4
685.39008	4.9
699.29395	1.4
699.41077	27.4
700.41278	1.0
703.41156	1.8
717.42108	32.6
718.41864	1.4
735.42285	2.4
843.44495	2.5
849.01929	1.2
909.00372	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.6153
Annotation	Unknow
Peak:m/z	Relative Intensity
64.67797	1.3
65.03940	1.9
67.05506	57.5
69.03426	3.9
69.07069	32.3
69.55159	3.2
69.55560	7.6
70.83736	1.6
71.05001	3.8
71.08636	4.6
73.02938	4.0
77.62734	1.4
79.05495	33.3
81.07059	64.3
83.04965	2.8
83.08620	20.2
85.02909	22.0
85.06540	2.0
85.10171	3.4
91.03960	14.3
91.05484	13.9
93.07047	45.9
95.04961	2.2
95.07996	2.5
95.08609	51.6
97.02885	12.0
97.06525	4.2
97.10181	12.9
99.37775	1.4
105.07037	13.1
107.08593	23.9
109.10156	22.8
111.08098	2.9
111.11740	2.9
115.04005	1.4
117.07023	5.1
119.08594	8.8
121.10139	26.2
123.11696	7.3
125.09619	1.9
127.03936	3.9
131.08575	6.3
133.10153	6.3
135.11700	20.7
137.13281	4.3
144.27200	1.4
145.04951	9.1
145.10139	6.5
147.11694	4.4
149.13249	10.9
158.81973	1.4
159.11710	6.2
161.13289	5.3
163.06044	8.2
163.14842	5.8
173.13295	5.9
177.16396	1.8
187.14838	3.5
189.16579	1.6
219.21034	1.6
237.22148	3.4
242.16551	1.4
243.21088	9.3
261.22137	39.5
299.27914	1.4
311.25824	100.0
312.25977	2.5
317.24792	5.7
335.25812	89.1
336.26248	1.6
337.27365	3.6
497.43442	2.1
571.47260	52.9
572.47498	2.4
589.48273	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	925.5134
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	2.7
69.03434	3.2
69.07047	0.4
71.05000	2.0
71.49193	0.6
73.02908	3.3
79.05495	2.1
81.03404	1.1
81.07054	3.9
83.17368	0.4
85.02913	4.7
91.03968	3.3
91.05489	1.0
93.07072	2.1
95.08627	1.2
97.02894	5.8
99.04462	1.4
101.02386	1.3
105.07064	1.4
107.08614	1.6
109.02908	1.0
109.10181	0.7
115.03940	0.6
121.10155	0.8
123.11690	0.6
127.03938	1.6
133.10173	1.8
135.11699	0.7
149.13213	0.7
151.11243	0.6
152.53151	0.5
183.13849	0.6
183.57831	0.5
187.13335	0.5
203.05327	0.6
243.08464	2.5
267.15683	0.6
347.09747	1.3
365.10663	1.1
405.13748	6.2
453.20810	0.6
485.23584	6.3
486.24387	0.5
519.29254	2.9
647.28845	6.5
648.29852	0.6
681.34320	3.4
730.30444	0.5
763.45984	1.4
783.27356	0.5
925.51343	100.0
926.51617	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	925.5134
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	2.7
69.03434	3.2
69.07047	0.4
71.05000	2.0
71.49193	0.6
73.02908	3.3
79.05495	2.1
81.03404	1.1
81.07054	3.9
83.17368	0.4
85.02913	4.7
91.03968	3.3
91.05489	1.0
93.07072	2.1
95.08627	1.2
97.02894	5.8
99.04462	1.4
101.02386	1.3
105.07064	1.4
107.08614	1.6
109.02908	1.0
109.10181	0.7
115.03940	0.6
121.10155	0.8
123.11690	0.6
127.03938	1.6
133.10173	1.8
135.11699	0.7
149.13213	0.7
151.11243	0.6
152.53151	0.5
183.13849	0.6
183.57831	0.5
187.13335	0.5
203.05327	0.6
243.08464	2.5
267.15683	0.6
347.09747	1.3
365.10663	1.1
405.13748	6.2
453.20810	0.6
485.23584	6.3
486.24387	0.5
519.29254	2.9
647.28845	6.5
648.29852	0.6
681.34320	3.4
730.30444	0.5
763.45984	1.4
783.27356	0.5
925.51343	100.0
926.51617	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5582
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03948	1.9
65.73337	0.6
67.05509	53.5
67.65136	0.5
69.03429	3.6
69.07075	9.8
70.08040	2.1
71.04598	1.0
71.04996	20.0
73.02921	3.5
73.06583	0.5
77.03943	0.7
79.05499	32.2
81.03415	2.0
81.07061	83.6
82.07396	0.8
83.04990	3.1
83.08625	6.7
85.02908	10.6
85.06549	6.9
87.04510	0.7
91.03965	6.0
91.04903	1.3
91.05485	27.9
93.07049	35.9
95.04971	2.4
95.08614	26.3
96.08987	0.6
97.02901	5.4
97.06541	5.0
97.10170	2.7
98.20845	0.7
99.04457	0.8
99.08102	1.5
103.05519	0.5
105.07038	16.5
107.08599	18.8
107.09309	0.9
109.02911	0.6
109.06539	2.1
109.09464	1.1
109.10168	11.3
111.08110	2.1
117.07022	5.7
119.08589	8.7
121.10152	14.0
123.08118	0.8
123.11720	13.5
125.09641	0.8
127.03933	2.9
129.07008	1.0
131.08560	8.4
132.79480	0.5
133.09125	0.9
133.10139	20.1
135.08089	0.6
135.11696	9.8
137.09666	0.5
139.11145	1.0
143.08554	1.1
145.05005	2.5
145.10147	6.0
147.11693	4.0
149.13283	6.2
150.09135	0.5
151.11197	7.1
153.12753	1.1
157.10144	1.3
159.11700	7.7
161.13229	3.1
163.06010	3.3
163.14815	1.0
169.10251	0.7
169.12274	0.6
171.11734	1.3
171.40636	0.5
173.13257	3.2
175.14867	1.4
177.12816	1.7
179.14369	0.7
183.11749	0.8
183.13892	2.2
185.13295	0.9
187.13333	4.0
187.14928	1.7
195.13913	1.3
200.50327	0.5
201.14841	1.3
201.16466	1.1
225.14703	0.8
227.16333	2.9
241.19673	0.8
243.16023	1.0
253.18030	1.4
257.17505	1.7
259.20700	1.0
261.22220	2.9
269.17569	5.5
273.22156	0.6
285.17087	0.7
299.23804	0.8
301.20090	19.4
302.20435	0.7
317.24850	1.1
335.25821	17.0
336.26270	0.6
393.31628	1.0
411.32684	2.1
429.34055	0.9
437.34314	2.4
445.24142	0.8
455.35440	1.2
472.25589	0.7
485.36267	4.6
503.37347	76.7
504.37808	3.2
511.38052	2.9
517.38855	4.1
529.38898	31.2
530.39331	1.9
547.39819	1.9
561.41541	100.0
562.41821	5.9
705.45374	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5576
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	1.9
67.05507	49.5
69.03431	2.0
69.07068	9.1
69.78088	1.1
69.78477	1.1
71.04602	0.8
71.04994	14.1
73.02920	2.8
79.05493	29.9
81.03403	1.7
81.07056	72.4
82.07370	0.5
83.04973	3.5
83.08618	6.1
85.02912	7.9
85.06544	5.4
91.03970	4.6
91.05482	23.2
93.07044	31.7
95.04977	2.2
95.08607	22.1
97.02900	3.9
97.06530	3.4
97.10175	1.7
98.41679	0.5
99.08082	0.7
105.07031	13.6
107.08598	17.8
109.02881	0.4
109.06518	1.4
109.09399	0.6
109.10152	10.8
111.08086	1.3
117.07020	4.1
119.08577	6.5
121.10148	13.0
123.08071	0.8
123.11707	10.3
125.09606	0.6
127.03918	1.8
129.05531	0.8
129.07031	0.5
131.08557	6.6
133.10136	13.2
135.08041	0.6
135.11694	8.1
137.09679	0.8
137.13255	0.6
143.08533	0.9
145.05011	2.0
145.10107	3.5
147.11674	4.1
149.13257	5.3
151.11180	5.0
157.10162	1.0
159.11691	5.5
161.13203	2.5
163.06056	2.1
163.14848	1.1
165.12877	0.7
169.12236	0.9
171.11693	0.5
173.13327	2.5
177.12782	1.7
179.14375	0.7
180.08746	0.5
183.13838	2.0
185.13339	0.6
187.13309	2.8
187.14877	1.5
195.13811	1.3
197.13338	0.5
213.14896	0.5
227.16536	1.2
243.15871	1.1
257.17572	1.7
259.20538	0.7
261.22198	2.1
269.17484	5.3
285.17044	0.5
287.23746	0.5
301.20056	11.9
317.24945	0.6
330.12567	0.6
335.25790	22.1
336.26065	0.7
411.32483	1.0
437.34097	0.7
485.36136	2.2
503.37323	73.1
504.37906	3.1
511.38129	0.7
517.39032	3.5
529.38849	15.0
530.39337	1.1
547.40320	0.9
561.41504	100.0
562.41791	4.7
647.41595	0.7
673.43536	0.7
705.45276	1.8
910.53174	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	910.5731
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03916	1.8
67.05502	22.2
69.03423	2.1
69.07081	15.0
71.05006	2.1
71.08640	14.3
71.48997	2.0
73.02904	2.2
79.05492	10.0
81.03424	1.9
81.07058	64.0
83.04984	4.0
83.08614	8.9
85.02914	10.2
85.06560	3.5
85.10191	12.4
91.03953	5.2
91.05486	13.2
93.07035	6.7
95.04987	2.7
95.08608	22.7
97.02905	5.4
97.06534	4.1
97.10183	3.7
97.33061	1.4
99.08091	2.6
105.07034	21.3
107.08616	6.8
107.52382	1.5
109.06522	3.5
109.10162	6.9
111.11751	2.2
113.06035	1.6
119.08581	18.1
121.10151	12.6
123.08086	2.0
123.11717	21.5
127.03907	2.4
127.07576	2.2
131.08595	1.5
133.10155	1.6
137.13258	1.9
145.04974	3.8
147.11687	49.3
147.12814	3.1
163.06056	2.8
165.12744	18.0
175.11240	2.2
187.06769	1.4
191.04326	1.5
211.13252	2.0
229.14374	4.0
267.15939	77.9
267.26938	2.0
268.16214	2.0
285.16974	97.7
285.27850	2.6
302.67416	1.7
341.30502	86.2
342.30856	2.2
364.40344	1.5
481.03122	1.7
551.43121	100.0
552.43231	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	909.4817
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	2.0
69.03434	3.1
69.07074	0.7
69.42802	2.0
70.97447	0.3
71.01347	0.6
71.05010	0.4
73.02917	3.6
79.05502	1.8
81.03418	1.7
81.07051	3.8
83.04988	0.3
83.08611	0.5
85.02903	4.9
87.04466	0.6
91.03963	2.7
91.05501	1.0
93.07044	1.7
93.87508	0.3
95.08611	1.3
97.02895	5.0
98.21547	0.6
99.04450	0.8
105.07038	1.7
105.62167	0.3
107.08584	0.9
109.02898	0.4
109.10211	0.4
119.08605	1.0
121.10126	1.5
123.11718	0.8
127.03911	1.6
131.08540	0.4
133.10072	0.4
135.11697	0.4
145.10103	0.4
147.11681	2.1
165.12857	0.5
185.04234	0.9
191.48462	0.3
203.05286	1.1
243.08534	1.0
251.12759	0.7
267.16165	0.3
269.12445	0.4
301.20163	0.4
307.15057	0.5
335.25940	0.6
347.09464	2.5
363.09137	0.5
365.10748	1.2
405.13803	2.7
425.21674	0.7
469.20392	9.5
519.29346	2.9
537.49969	0.3
585.37463	0.4
587.26257	0.3
631.25543	6.1
632.25714	0.4
681.34296	3.6
681.44830	0.3
747.42908	1.2
909.48169	100.0
910.48560	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	909.4814
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	0.3
67.05510	3.7
69.03429	4.2
69.07082	1.2
71.01370	0.6
71.05002	0.6
73.02917	4.5
79.05498	2.8
81.03422	2.0
81.07057	4.2
83.08630	0.9
85.02906	7.6
91.03954	4.2
91.05482	1.8
93.07053	2.8
95.08604	2.6
97.02893	6.8
98.21520	1.0
99.04469	0.7
103.03945	0.5
105.07076	1.5
107.08633	1.4
109.02908	1.1
109.10192	1.3
114.34475	0.3
115.03967	0.5
117.07045	0.4
117.38249	0.3
119.08614	1.5
121.10168	1.3
123.11760	0.7
127.03946	2.1
135.11731	0.7
145.04976	0.6
147.11731	1.9
148.09949	0.3
148.16829	0.3
155.01933	0.4
157.23946	0.4
173.02954	0.4
173.06667	0.3
175.04504	0.3
185.04219	0.8
187.04575	0.4
187.82233	0.3
203.05247	0.8
215.11353	0.4
220.53256	0.4
221.10318	0.5
225.13335	0.4
243.08498	1.3
243.14676	0.7
251.11169	3.9
259.07736	0.3
269.12360	5.6
281.49017	0.3
287.13397	2.5
301.20178	2.2
304.15543	0.6
305.15732	0.4
319.21265	0.4
325.11771	0.4
325.14868	1.5
335.26129	1.1
347.09552	2.7
356.16425	0.4
365.10602	1.7
405.13593	4.4
425.21652	0.5
469.20313	7.3
487.20160	0.8
519.29297	4.3
585.36591	0.8
602.13287	0.3
631.25037	6.9
681.34625	5.4
747.42224	6.1
862.89355	0.4
909.48151	100.0
910.48602	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	905.4507
Annotation	Unknow
Peak:m/z	Relative Intensity
64.16309	0.3
65.03971	0.3
67.05512	4.6
69.03441	3.5
69.07083	1.1
71.01336	0.4
71.05006	0.6
71.49044	0.4
73.02924	3.5
79.05503	4.0
81.03438	1.8
81.07066	5.2
83.08631	0.5
85.02912	4.4
87.04466	0.4
91.03950	3.0
91.05493	2.4
93.07051	4.0
95.01323	0.5
95.04941	0.5
95.08607	4.1
97.02901	4.9
99.04489	0.8
101.02402	1.5
101.03025	0.3
103.03977	0.4
105.07062	1.6
107.08615	2.2
109.02895	1.0
109.10184	1.4
115.03986	0.4
117.07062	0.6
119.08616	1.3
121.10164	1.9
123.08100	0.4
123.11775	0.5
124.13137	0.3
127.03948	1.5
129.07034	0.5
131.08588	1.1
133.10184	1.1
135.11751	0.7
145.05055	0.6
145.10172	0.5
147.11749	0.7
149.13310	0.4
154.69904	0.3
200.66530	0.4
243.08530	1.5
289.10803	0.7
335.25925	1.3
336.26315	0.5
409.14688	4.6
465.17328	0.5
476.10245	0.4
519.29370	5.8
545.38116	0.4
627.22748	3.3
697.65051	0.4
861.45679	0.5
905.45081	100.0
906.45416	7.8
906.61816	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5272
Annotation	Unknow
Peak:m/z	Relative Intensity
62.99541	1.1
63.12894	1.2
65.03929	2.2
67.05508	41.1
69.03420	5.1
69.07063	7.1
69.65263	7.9
71.04972	4.1
73.02903	2.5
79.05077	1.8
79.05503	30.8
80.29202	1.1
81.03425	35.2
81.07063	35.6
83.04980	10.1
83.08621	14.8
85.02442	2.1
85.02911	25.3
85.06568	1.9
91.03961	6.1
91.05490	31.0
93.06493	2.1
93.07052	36.3
95.01259	1.5
95.04979	17.3
95.08614	27.4
97.02886	5.0
97.06520	3.1
97.10152	2.3
98.21490	2.4
105.07040	22.2
107.04945	4.7
107.08606	16.8
109.06551	2.9
109.10171	10.1
111.04437	1.6
111.08064	5.6
113.06016	1.4
115.05468	1.5
117.07018	5.1
119.08591	18.5
121.06547	1.4
121.10143	15.1
123.08081	2.0
123.11707	3.2
125.09608	1.9
127.03951	1.5
129.06990	6.3
131.08583	12.2
133.06503	1.8
133.10150	10.7
135.11679	5.7
145.10121	5.9
147.11710	12.8
149.09631	3.5
149.13263	3.6
157.10127	8.2
159.11751	3.1
161.13237	2.3
163.06026	1.7
163.14816	1.4
173.13232	1.6
175.11226	8.1
187.14787	1.6
193.12254	23.7
211.13313	36.9
243.21066	2.1
261.22141	10.5
267.15927	10.3
285.16983	41.1
317.24777	2.0
318.45111	1.3
335.25833	67.2
352.10547	1.3
391.73801	1.5
405.87766	1.4
435.32471	1.4
527.37396	12.8
545.38422	100.0
546.38702	3.6
709.03973	1.3
874.22803	1.5
905.45074	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5263
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	2.1
67.05507	44.8
69.03425	2.7
69.06730	1.2
69.07069	15.6
70.65858	1.8
71.04992	3.5
73.02907	2.4
79.05495	29.8
81.03429	1.2
81.07056	89.9
83.04976	4.7
83.08623	8.7
85.02908	11.4
85.06535	5.1
87.04533	0.6
91.03967	7.8
91.04902	1.2
91.05479	26.8
93.07043	31.8
95.04977	2.8
95.08607	37.6
97.02900	4.6
97.06530	6.0
97.10178	1.0
99.04430	1.2
99.08086	2.9
101.06008	1.0
105.07033	33.7
107.08596	20.9
109.06510	4.4
109.10152	11.2
111.08067	1.3
113.05989	0.8
117.06998	3.7
119.08579	28.1
120.37654	0.8
121.10143	28.8
123.08067	3.7
123.11709	25.3
125.09629	1.1
126.23621	0.7
127.03902	2.8
127.07567	2.7
129.06963	1.2
131.08566	5.5
133.10144	7.8
135.11684	8.9
137.09587	1.8
137.13229	3.1
139.11136	0.8
141.09135	0.7
145.04938	3.9
145.10118	5.0
147.11694	58.8
148.11909	0.9
149.13243	5.7
157.10144	2.1
159.11676	3.2
159.67056	0.8
161.13237	2.9
163.06033	3.6
163.14851	2.4
165.12752	23.0
173.13275	3.8
175.11203	1.7
175.14973	0.9
177.16479	0.9
183.13818	3.9
187.14755	1.4
193.12247	1.7
229.14394	6.6
243.21068	7.0
261.22153	22.3
267.15918	74.5
268.16211	1.9
279.23087	3.6
285.16968	100.0
286.17334	2.4
301.15875	0.8
317.24750	3.4
335.25800	79.2
336.26224	3.0
353.26956	3.4
453.33853	1.3
471.35089	1.6
527.37512	8.8
545.38391	74.8
546.38623	4.0
563.39362	4.9
904.49786	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5265
Annotation	Unknow
Peak:m/z	Relative Intensity
64.34012	0.9
65.03946	2.2
67.05507	41.1
69.03425	2.4
69.07070	12.9
69.70541	5.5
71.04988	3.9
72.64906	1.0
73.02917	3.8
79.05494	27.3
81.07058	74.4
83.04978	5.0
83.08615	7.5
85.02897	8.3
85.06547	4.7
91.03973	5.5
91.05484	23.3
93.07047	30.9
95.04974	2.4
95.08612	31.7
95.09075	0.6
97.02895	3.7
97.06531	4.4
97.10162	1.1
98.21400	1.7
99.04470	1.8
99.08086	3.7
101.05991	1.0
105.07034	28.3
107.08594	20.7
107.73204	0.8
109.06521	3.4
109.10162	10.7
113.06036	0.9
117.07028	2.9
118.25700	0.9
119.08582	22.9
121.10154	24.2
123.08086	3.8
123.11709	24.9
127.03908	1.7
127.07539	2.1
130.40910	0.9
131.08562	4.2
133.10136	5.9
135.11710	7.1
137.13260	2.6
145.04955	2.9
145.10107	4.1
147.11696	51.2
148.12045	0.9
149.09644	1.0
149.13277	4.2
157.10168	1.7
159.11694	3.2
161.13237	2.0
163.06078	1.5
163.14760	2.3
165.12767	20.2
173.13286	2.8
174.10567	1.0
175.11218	1.0
175.14803	1.0
177.16394	1.2
183.13811	1.1
187.14851	1.5
216.36320	0.8
229.14331	5.3
242.26610	0.9
243.21187	4.4
261.22122	17.3
267.15936	73.7
268.16373	2.1
279.23151	2.6
285.16971	70.2
317.24817	3.1
335.25812	100.0
336.26218	2.5
353.26978	2.0
393.90546	0.9
409.05307	0.9
449.68341	0.9
453.33701	1.1
471.34888	1.3
527.37427	7.5
545.38403	71.2
546.38745	2.7
563.39270	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	904.5275
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05512	32.8
69.03425	3.6
69.07082	7.2
71.04999	3.4
71.49274	1.9
73.02909	1.5
79.05070	2.4
79.05497	27.3
81.03426	31.9
81.07065	39.1
83.04991	7.8
83.08630	13.7
83.09084	2.1
85.02911	18.0
91.03951	5.6
91.05488	25.7
93.07051	30.6
95.04962	13.7
95.08620	23.0
97.02894	5.9
97.06526	4.0
97.10155	3.1
105.04546	1.3
105.07043	17.2
107.04952	3.1
107.08618	10.8
109.06528	2.2
109.10195	7.7
111.08088	5.3
115.05450	1.6
117.06998	3.3
119.08590	16.7
121.06586	1.4
121.10160	13.8
123.11753	2.7
127.03946	2.0
128.93945	1.2
129.06990	4.2
131.08542	8.6
133.06487	1.5
133.10158	8.9
135.11667	6.3
142.07796	2.1
145.10144	4.6
147.08058	1.9
147.11743	9.3
149.09627	4.0
149.13261	3.8
157.06293	1.2
157.10152	6.9
159.11694	2.3
161.13257	2.7
163.06012	2.8
163.11087	2.4
163.14763	1.8
165.12727	2.6
173.13284	1.8
175.11214	6.6
193.12256	22.6
211.13293	29.0
243.20976	1.6
261.22134	7.2
267.15918	9.8
285.16992	35.3
288.93909	1.3
301.25082	1.2
306.51645	1.2
317.24658	1.9
335.25842	64.0
336.26379	2.2
366.01212	1.5
527.37390	13.8
545.38428	100.0
546.38684	4.6
742.43988	1.7
798.64484	1.5
905.45496	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	900.4952
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	3.5
67.05507	32.9
68.99759	0.8
69.03419	3.4
69.07066	9.8
69.47530	6.0
71.04984	1.4
73.02901	1.3
77.03959	1.1
79.05492	26.7
81.02986	0.9
81.03428	7.0
81.06594	1.6
81.07059	32.1
81.31139	0.9
83.01334	1.7
83.04971	1.7
83.08620	4.7
85.02889	2.8
85.06527	1.1
91.05484	22.4
93.03396	1.4
93.07045	27.7
95.01328	7.6
95.04979	4.2
95.08607	23.7
97.02908	2.0
97.06525	2.5
97.10155	2.3
103.05460	2.1
105.03432	2.1
105.04511	1.5
105.07030	15.1
107.04956	6.1
107.08591	14.6
109.02860	1.7
109.06506	2.5
109.10152	10.2
111.04394	1.6
111.08096	2.1
113.02383	1.4
115.05432	2.3
117.07016	10.0
119.04937	3.0
119.08585	12.1
121.02841	2.4
121.06474	2.5
121.10152	10.0
123.04415	2.6
123.08089	1.5
123.11697	3.7
125.02345	1.9
125.09642	1.2
128.06232	1.8
129.07008	8.6
130.07660	0.7
130.85893	0.9
131.04933	3.9
131.08559	13.2
133.02808	1.0
133.06476	4.2
133.10133	10.2
135.04390	3.2
135.08017	1.8
135.11678	5.4
137.02304	1.0
137.06006	1.7
137.09599	1.5
139.03859	1.7
141.01793	1.2
141.06993	5.2
142.07751	1.6
143.04935	0.9
143.08548	7.5
145.06506	6.4
145.10109	10.4
147.04385	4.2
147.08023	2.3
147.11728	5.6
149.02368	4.4
149.05951	2.0
149.09598	2.0
149.13228	3.1
151.03894	3.4
153.07001	2.0
154.07848	1.1
155.03403	1.3
155.08539	5.9
156.09319	1.0
157.06473	4.0
157.10133	7.2
159.04404	3.0
159.08083	2.7
159.11678	6.1
161.06012	4.9
161.09549	1.6
161.13254	1.2
163.03960	4.0
163.07524	1.0
163.14799	1.8
165.01779	1.3
165.05434	2.4
165.06989	1.7
166.07831	1.2
167.03412	1.5
167.08536	4.1
168.09309	1.0
169.10136	5.4
171.04413	1.9
171.08044	2.8
171.11604	4.4
173.05946	4.7
173.09584	2.6
173.13225	3.0
175.03899	4.5
175.07597	2.1
175.11182	1.8
175.14763	1.2
177.05453	2.9
177.12851	0.9
179.03409	1.3
179.08578	2.8
180.09319	1.1
181.05023	1.0
181.06474	1.8
181.10106	4.2
183.08060	2.9
183.11665	4.3
185.06006	2.6
185.09657	2.0
185.13258	3.1
187.03918	2.6
187.07530	1.1
187.11208	2.9
189.05460	6.3
191.03316	1.2
193.04985	1.5
193.12204	1.3
195.08051	1.5
195.11653	3.4
196.33012	0.9
197.06015	1.6
197.09581	3.7
197.13208	2.3
199.03912	2.0
199.07516	2.7
199.11122	3.9
199.14856	1.3
201.05461	3.4
201.12759	1.5
203.07033	1.3
203.10721	1.0
205.04898	1.5
205.12154	1.0
207.11757	1.6
208.08769	1.2
209.09641	1.6
209.13332	1.2
211.07434	1.0
211.11165	1.8
211.14793	1.4
213.05472	0.9
213.09097	1.3
213.12697	3.0
215.06949	1.3
215.10710	3.2
217.04964	2.9
217.12215	1.9
221.04456	10.7
223.05859	1.2
223.11224	3.9
223.14737	1.1
225.09093	3.4
225.12737	2.1
227.10654	2.6
229.12212	1.0
231.13832	1.8
233.09541	1.1
233.11635	6.8
235.05922	2.6
237.09160	1.0
239.10704	1.1
241.08537	1.5
241.12282	6.5
243.10178	3.2
243.13763	1.5
243.20947	1.5
245.11726	2.2
251.10687	3.3
255.10187	2.0
257.11667	1.2
259.09473	1.1
259.13364	3.8
259.20551	2.2
261.22043	4.2
267.10080	0.9
267.15897	1.6
269.11758	7.7
271.13315	1.6
277.10626	2.7
279.10135	2.0
287.12723	9.5
289.10654	1.1
297.11206	5.3
303.12195	1.6
305.13754	4.8
307.15332	1.0
313.27289	3.1
315.12280	13.8
333.13330	53.5
333.24304	1.9
334.13760	1.2
335.14841	1.3
335.25793	54.3
336.25879	1.7
351.14398	4.5
389.15720	1.7
407.17056	4.0
425.18088	100.0
426.18329	3.5
427.19955	1.6
435.32468	2.9
443.19260	2.3
453.33713	1.9
505.39236	1.2
509.36197	1.9
527.30090	1.2
527.37396	16.2
528.38025	4.3
529.39069	1.5
557.32239	1.8
567.36401	1.2
575.33661	2.9
583.36469	1.0
593.34991	7.3
611.35632	7.7
649.37048	1.5
667.38361	7.2
685.39441	39.2
686.39233	1.7
703.40582	18.6
704.40259	1.4
824.87329	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.4956
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	3.1
65.57147	0.6
67.05511	38.4
68.99770	0.9
69.03422	2.6
69.07078	10.6
69.54573	3.8
69.54979	1.5
71.04980	1.3
79.05498	25.9
80.39454	0.7
81.03419	3.6
81.07062	33.4
83.04971	2.1
83.08615	4.6
85.02897	2.7
85.06548	1.4
91.04913	1.1
91.05486	19.8
93.03411	1.4
93.07051	27.5
95.01331	4.5
95.04987	3.5
95.08616	30.1
97.02917	3.6
97.06532	2.5
97.10184	2.1
98.21495	1.3
99.04494	0.8
103.05457	1.6
105.04508	0.8
105.07040	13.4
107.04996	3.6
107.08607	13.3
109.02884	2.3
109.06500	1.5
109.10158	12.6
111.08051	0.9
115.05478	1.8
117.07034	7.7
119.04951	2.3
119.08588	10.1
121.02882	1.4
121.06548	0.9
121.10151	11.3
123.04438	1.7
123.08060	1.5
123.11723	4.2
125.02344	1.8
127.03968	1.2
128.06219	1.6
129.07005	6.8
131.04947	2.9
131.08568	11.5
133.06500	3.2
133.10138	7.7
135.04416	2.6
135.08057	1.4
135.11719	5.9
137.02351	1.0
137.09612	1.9
137.13365	1.2
139.03900	1.5
141.01805	0.9
141.06992	3.1
143.08621	4.6
145.06490	3.5
145.10153	8.3
147.04393	2.3
147.08041	1.4
147.11681	4.8
149.02353	2.1
149.06046	1.3
149.09604	1.6
149.13237	3.1
151.03925	2.2
151.30217	0.8
153.06975	1.7
154.07861	0.8
155.03439	1.0
155.08575	4.4
157.06485	2.9
157.10168	4.6
159.04439	1.3
159.08130	2.2
159.11725	4.2
161.02350	1.4
161.06003	2.9
161.09625	1.4
161.13275	2.7
163.03935	4.0
163.11232	1.6
163.14780	1.4
165.01817	0.9
165.05544	1.8
165.06923	1.8
167.08571	2.8
169.10144	3.2
171.04462	1.5
171.08038	1.8
171.11687	3.5
173.06027	3.2
173.09547	1.4
173.13229	2.7
175.03943	3.5
175.07680	1.7
175.11166	1.5
177.05533	1.3
179.03325	1.8
179.08537	1.1
181.10100	1.7
183.08067	2.1
183.11832	1.6
185.05984	1.7
185.09674	1.5
185.13315	2.2
187.03931	2.1
187.07568	1.2
187.11195	1.6
187.14903	1.4
189.05478	3.5
189.09097	1.8
193.04924	1.0
195.08110	1.0
195.11713	2.6
197.04393	0.9
197.09650	2.0
197.13321	1.6
199.07605	1.4
199.11247	2.3
201.05450	1.5
201.09161	1.2
201.16519	0.9
203.03271	0.9
203.10666	1.2
205.04955	1.2
205.10220	0.9
205.12222	1.4
209.04483	1.1
209.09627	1.5
213.05376	1.2
213.09097	1.3
213.12733	1.8
215.10703	3.4
217.05084	1.6
221.04446	6.2
223.11192	2.4
225.09193	3.5
225.12714	1.3
227.10757	1.8
229.12259	0.9
231.10164	1.0
231.13643	1.1
233.11800	3.4
235.05968	2.5
241.12262	4.4
243.10161	2.8
243.13829	1.6
243.21182	2.1
245.11758	1.3
251.10645	2.2
253.08652	1.0
255.10223	1.9
257.11884	0.8
259.13321	3.3
259.20651	1.5
261.11230	1.3
261.22116	5.5
267.09985	1.0
269.11755	4.5
271.09570	1.2
271.13269	0.9
277.10831	1.7
279.10080	1.3
285.11295	1.0
287.12793	4.7
289.10779	2.8
289.14172	1.5
297.11133	2.8
297.21774	0.8
303.12271	1.7
305.13815	2.3
307.11807	2.0
307.15436	2.8
315.12283	7.0
317.24927	1.0
325.12802	3.3
333.13342	36.5
333.24200	2.1
335.25830	100.0
336.26089	2.6
351.14474	5.6
407.17157	5.9
425.18082	32.3
426.18585	1.3
427.19681	0.9
435.32599	2.2
443.19226	15.9
453.33652	1.6
454.48264	0.8
467.53296	0.7
509.36725	1.8
513.35730	0.8
513.62994	0.8
527.30231	1.0
527.37445	11.3
528.38171	2.7
529.39545	1.1
547.33936	1.0
567.35553	1.0
575.33447	2.2
593.34344	3.7
611.35901	6.8
629.36206	1.1
631.36328	1.0
649.37347	1.5
667.38440	6.8
668.38165	0.9
685.39539	26.7
686.39435	1.3
703.40527	29.4
704.40417	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.4957
Annotation	Unknow
Peak:m/z	Relative Intensity
62.84544	0.5
64.46831	0.6
65.03936	3.2
67.05505	39.4
67.11287	0.7
69.03410	2.9
69.07071	10.8
69.55017	1.9
69.55439	2.0
71.01315	0.7
71.04987	1.2
71.08633	0.7
77.03913	0.6
79.05494	30.6
81.03416	5.5
81.07056	37.7
83.01338	1.5
83.04981	3.7
83.08619	3.7
85.02892	3.4
85.06516	1.5
91.05486	22.9
93.03401	1.5
93.07046	33.3
95.01331	10.2
95.04962	7.2
95.08608	27.7
97.02888	3.6
97.06545	2.9
97.10172	2.6
98.21509	0.7
99.08090	0.8
103.05480	1.4
105.03419	0.9
105.04516	1.5
105.06321	0.7
105.07028	13.3
107.04951	4.7
107.08594	14.3
109.02869	2.6
109.06544	2.6
109.10159	10.0
111.04438	1.9
111.08141	0.8
113.02416	1.3
115.05438	1.5
117.07018	6.1
119.04944	2.6
119.08587	11.0
121.02865	2.3
121.06490	3.3
121.10145	12.0
123.04427	3.5
123.08071	2.0
123.11697	3.5
125.02356	2.3
125.09670	0.7
127.03889	0.7
128.06195	1.7
129.07008	5.4
131.04933	2.7
131.08566	9.7
133.06485	2.8
133.10143	8.0
135.04442	3.4
135.08060	1.8
135.11697	6.3
137.02338	1.3
137.05965	1.8
137.09613	0.7
137.13312	0.9
139.03912	3.5
141.01813	1.0
141.06999	3.0
142.07776	1.0
143.08571	5.0
145.06493	3.6
145.10129	7.6
147.04391	4.0
147.08046	3.2
147.11684	6.4
149.02370	0.8
149.05992	3.0
149.09653	1.9
149.13251	4.3
151.03909	3.4
151.11162	0.8
153.01808	0.7
153.05525	0.8
153.06969	1.0
153.12747	1.0
154.07794	1.9
155.03389	1.4
155.08574	2.3
157.06487	2.2
157.10123	3.3
159.04417	1.2
159.08078	1.3
159.11678	4.4
161.05962	4.0
161.09625	2.9
161.13274	2.9
163.03911	3.9
163.11186	1.5
163.14841	0.9
165.01900	2.8
165.05490	1.9
165.06923	1.0
165.09061	0.8
165.12663	0.7
167.03380	0.6
167.08574	1.7
169.10100	2.9
171.04468	0.8
171.08023	1.5
171.11705	2.2
173.05978	2.1
173.09634	2.1
173.13281	3.3
175.03903	2.0
175.07704	1.2
175.11211	1.8
175.14835	0.8
177.05444	1.5
177.12730	1.8
179.03365	1.2
179.07068	1.4
179.08574	2.0
179.10814	0.9
181.05014	0.9
181.06454	0.9
181.10115	1.1
183.08000	0.8
183.11630	0.8
185.05992	1.6
185.09625	2.4
185.13155	1.0
187.03963	1.0
187.07494	2.0
187.11142	3.7
187.14810	1.3
189.05537	1.1
189.09154	2.0
191.03387	2.2
191.10617	0.8
193.04938	1.5
193.12242	1.4
195.11765	0.8
197.04469	1.2
197.09641	2.9
199.07610	1.5
199.11211	2.0
201.05501	1.3
201.09033	3.1
203.03421	0.9
203.10632	2.2
205.04959	2.2
205.12247	1.4
207.13774	0.7
209.11707	1.6
211.07567	0.8
213.05449	3.9
213.09068	1.8
213.12770	0.7
215.10654	4.7
217.08617	2.5
217.12178	1.6
219.13800	0.9
221.04434	1.5
221.11678	1.2
223.11345	1.0
223.13234	1.2
225.09123	3.8
227.07016	0.9
227.10654	1.7
229.08592	1.0
231.10233	0.9
233.08052	0.8
233.11761	1.7
235.13376	2.0
239.05608	0.8
241.08607	1.8
241.12305	1.4
243.10153	4.3
243.21062	2.3
245.11728	1.6
248.12062	0.6
251.12831	2.4
253.08635	2.7
259.09613	1.6
259.13400	0.9
259.20465	1.2
261.11221	4.7
261.15146	0.8
261.22156	7.7
263.12753	2.5
269.11676	1.8
271.09641	4.2
275.12857	0.7
277.11102	0.9
277.14227	1.0
279.12473	0.8
287.12845	3.1
289.10715	9.9
289.14337	11.8
297.11124	1.1
303.12302	1.9
305.13763	2.3
307.11816	4.8
307.15405	20.5
315.12317	4.4
315.23050	0.8
317.24701	2.0
323.14978	4.7
325.12936	2.3
333.13300	10.4
333.24277	1.6
335.25806	100.0
336.26251	2.1
341.15918	1.5
351.14389	17.1
369.15433	1.1
422.18658	0.7
425.18121	20.3
427.19583	1.8
435.32349	1.6
443.19147	48.4
444.19553	1.5
505.38547	0.9
509.36218	0.9
527.37360	6.2
528.37817	2.3
575.33545	1.1
585.37769	1.2
593.34827	1.1
611.35571	2.7
623.39349	0.9
649.36481	0.9
667.37988	1.9
675.40497	1.9
685.39441	21.2
686.39661	1.2
703.40497	40.2
704.40424	1.8
758.73157	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.4953
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03919	2.3
67.05508	32.5
69.03416	2.2
69.07072	7.8
70.56594	1.2
70.56929	1.3
71.04984	1.3
73.02903	0.6
74.53812	0.5
79.05496	23.1
81.03412	4.2
81.07057	33.9
83.04985	2.2
83.08627	4.3
85.02898	3.0
85.06527	0.9
87.67592	0.6
91.05485	17.1
93.03384	0.7
93.07047	27.3
95.01324	6.8
95.04965	4.4
95.08607	24.8
97.02889	2.6
97.06519	1.4
97.10157	1.5
103.05491	1.0
105.03410	1.0
105.04517	1.0
105.07035	12.5
107.04945	2.5
107.08588	13.0
109.02863	2.1
109.06512	2.3
109.10159	8.2
111.00809	0.7
111.08075	1.4
115.05428	1.2
117.07031	5.9
119.04963	1.1
119.08566	8.9
121.06499	2.2
121.10154	11.7
123.04434	3.7
123.08083	1.5
123.11705	3.1
125.02367	2.4
125.09661	0.7
128.06223	0.7
129.07013	3.7
131.04980	1.0
131.08571	7.4
133.06474	1.8
133.10123	5.5
135.04449	1.7
135.08092	1.6
135.11708	6.3
137.02264	0.8
137.05956	1.1
137.13222	1.0
139.03894	2.3
139.11183	1.0
141.01791	1.2
141.06993	2.1
142.07747	0.9
143.08582	2.8
145.06474	2.0
145.10150	7.0
147.04398	2.6
147.08054	1.8
147.11681	3.6
149.02455	0.6
149.05975	1.7
149.09601	0.8
149.13261	2.1
151.03931	2.1
153.05525	0.7
155.03368	1.1
155.08553	2.3
157.06436	1.1
157.10155	2.5
159.04352	0.9
159.08035	1.5
159.11696	4.2
161.05983	2.3
161.09621	2.7
161.13275	2.3
163.03897	1.7
163.11214	0.9
163.14836	0.9
165.01839	1.7
165.05565	1.1
165.06894	1.0
165.09195	0.6
169.04890	0.6
169.10114	2.4
171.08035	1.8
171.11667	2.0
173.05992	1.3
173.09645	1.8
173.13269	2.3
175.03964	1.5
175.11171	1.0
177.05524	1.0
177.09200	0.7
177.12767	0.9
179.03447	1.6
179.07068	0.8
179.08528	1.6
179.10565	0.7
181.06531	0.6
181.10204	0.9
183.07936	0.9
184.08882	0.7
185.05942	1.3
185.09669	1.2
185.13231	1.0
187.03912	0.8
187.07605	1.5
187.11192	2.4
187.14868	1.0
189.05429	1.2
189.09111	1.4
191.03384	1.5
191.10698	0.7
193.04993	0.9
193.12276	0.8
195.11787	1.3
197.04453	1.6
197.09685	2.8
197.96581	0.7
199.07585	0.7
199.11252	1.2
201.09084	1.6
201.16400	0.8
203.03572	0.7
205.04967	1.1
205.08632	1.2
205.12279	2.1
209.04485	0.7
213.05519	2.7
213.09113	1.0
213.12750	0.7
215.10660	2.8
217.08702	1.5
217.12212	1.4
221.04407	1.9
221.11716	0.7
225.09117	2.8
227.07071	0.9
227.10611	1.3
229.08598	1.2
231.10132	1.2
233.11845	1.2
235.13310	1.4
239.05573	0.8
241.08563	0.8
241.12259	1.1
243.10233	4.0
243.21141	2.0
245.11790	1.7
251.12888	1.4
253.08676	0.9
259.09625	1.3
259.13281	0.8
259.20535	1.1
261.11203	2.6
261.22205	6.0
263.12772	1.7
269.11624	1.4
271.09641	3.0
287.12833	1.5
289.10718	6.8
289.14328	7.0
303.12268	1.9
305.13858	2.2
307.11810	3.3
307.15408	12.1
315.12314	3.4
317.24817	0.9
323.14865	4.0
325.12820	1.4
333.13321	6.9
333.24207	1.0
335.25800	100.0
336.26160	2.4
351.14395	10.1
352.14941	0.7
369.15256	0.9
405.20560	0.7
407.17065	0.8
425.18045	16.2
435.32510	1.1
443.19177	33.3
444.19675	0.8
527.37262	3.9
528.37714	1.3
548.39136	0.7
557.32666	0.7
585.38635	1.1
593.34296	1.8
611.35693	1.7
623.39197	1.4
641.40143	0.9
667.38403	2.0
685.28662	1.0
685.39563	16.0
686.39276	1.2
703.40491	42.6
704.40558	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	893.4877
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05513	2.4
67.51962	0.6
68.16819	0.6
69.03426	4.5
69.07082	1.1
71.48989	0.7
73.02914	3.8
79.05503	1.9
81.03434	1.8
81.07058	4.1
83.08607	1.0
85.02899	6.7
91.03957	2.7
91.05505	1.3
93.07045	2.7
95.04900	0.7
95.08624	3.1
97.02892	4.6
101.02407	2.3
102.52305	0.7
107.08609	1.7
108.34017	0.7
109.02883	1.6
110.10640	0.7
121.10152	1.3
127.03925	1.4
135.11682	1.0
136.26506	0.7
149.13249	1.0
196.06259	0.8
243.08330	1.0
335.25864	0.8
347.09717	2.7
363.09439	0.9
375.28708	0.8
405.13770	4.9
453.20993	8.7
471.25360	0.8
519.29553	2.9
602.92773	1.0
615.26276	5.6
637.46606	1.0
681.34625	1.9
893.48682	100.0
894.48981	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	888.5319
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	1.6
67.05508	51.5
69.03445	1.5
69.07073	12.2
69.18016	10.8
71.04983	2.1
73.02926	3.6
79.05495	33.9
81.03420	1.4
81.07061	61.7
83.04981	4.6
83.08622	9.8
85.02917	10.0
85.06541	3.0
91.03972	4.9
91.05481	19.2
93.07050	42.4
95.04966	3.4
95.08611	31.1
97.02901	6.9
97.06534	4.2
97.10145	1.6
98.21519	2.4
99.08084	1.6
105.04510	1.8
105.07043	10.1
107.08588	21.7
109.10164	11.7
111.08082	3.4
116.58649	1.2
117.07048	7.3
119.08585	5.3
121.10155	15.3
123.11722	4.6
127.03980	1.4
131.08574	10.6
133.10143	10.6
135.11681	11.4
143.08586	1.4
145.04988	2.6
145.10139	4.0
147.11714	3.7
149.13258	9.5
151.11220	1.8
159.11714	8.9
161.13254	2.4
163.06053	4.1
163.14874	2.1
173.13239	2.1
177.12712	3.3
183.39716	1.3
187.14850	1.5
193.86336	1.3
195.13783	6.3
201.01384	1.2
243.20982	2.1
249.46812	1.2
261.22189	9.1
269.17487	43.2
275.05063	1.5
317.24777	1.3
335.25818	75.6
336.26144	1.5
437.34225	2.6
511.37830	2.5
529.38922	100.0
530.39240	4.6
691.08875	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4977
Annotation	Unknow
Peak:m/z	Relative Intensity
62.78891	0.5
65.86307	0.6
67.05516	1.3
69.03445	3.2
71.08623	1.0
71.49045	0.9
73.02916	2.9
79.05520	0.8
81.03419	1.4
81.07059	3.2
83.08646	0.6
85.02914	4.9
85.10207	0.8
91.03941	3.7
91.05486	0.7
93.07047	0.7
95.08640	2.1
97.02899	5.5
99.04489	1.0
101.02399	2.0
109.10203	0.6
113.87442	0.6
115.31540	0.7
119.08584	1.1
121.10194	0.7
123.11787	1.2
127.03953	1.8
147.11768	2.3
165.12819	1.1
185.04251	1.6
243.08516	1.8
251.12648	0.6
269.12537	0.9
307.15253	1.0
313.27243	0.9
319.99649	0.6
347.09415	2.8
365.10773	1.7
405.13617	3.9
425.21759	0.7
469.20419	12.5
497.30975	4.8
631.25323	6.8
659.36188	4.0
725.44519	3.0
887.49750	100.0
888.50287	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	887.4973
Annotation	Unknow
Peak:m/z	Relative Intensity
66.52246	0.3
67.05501	1.2
69.03429	3.5
69.07056	0.6
71.01354	0.6
71.04999	0.6
71.08634	1.9
73.02920	3.4
73.37406	0.3
79.05502	0.5
81.03426	1.5
81.07052	2.5
83.08630	1.0
85.02907	6.9
85.03378	0.5
85.10196	1.2
87.04486	0.6
91.03953	4.0
91.05509	0.4
93.07049	0.5
94.64336	0.3
95.08614	2.2
97.02895	5.9
97.10188	0.4
99.04471	0.8
101.02402	1.2
103.03960	0.3
105.07050	0.6
109.02911	0.8
109.10193	0.7
111.62511	0.3
115.03969	0.5
119.08570	0.6
121.10176	0.6
123.11780	0.5
127.03939	1.8
138.75591	0.3
145.04962	0.5
147.11723	1.1
165.12836	0.4
185.04236	1.1
203.05362	1.1
239.23889	0.4
243.08467	1.8
251.12625	1.0
307.15234	0.3
313.27460	1.4
347.09494	2.2
365.10434	1.5
405.13684	4.4
407.39188	0.3
425.21277	0.3
434.83206	0.4
469.20419	5.5
497.30878	6.4
631.25769	3.0
659.36182	6.5
725.44684	2.0
887.49744	100.0
888.49847	6.5
894.85352	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5427
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	1.0
66.18892	0.5
67.05514	24.1
69.03400	1.8
69.07077	15.1
69.65096	0.5
70.15815	2.1
71.04981	2.4
71.08640	20.1
73.02930	2.8
73.06532	0.7
75.04457	0.6
79.05500	10.7
81.07066	64.8
82.07361	0.8
82.83202	0.5
83.04990	4.5
83.08171	0.8
83.08626	11.5
85.02454	0.6
85.02913	10.0
85.06544	3.5
85.09742	0.8
85.10195	11.8
87.04485	1.3
89.06019	1.1
91.03962	6.1
91.05492	16.2
93.07057	7.7
95.04950	1.7
95.08617	28.4
95.60877	0.5
97.02393	0.6
97.02898	6.5
97.06531	5.4
97.10188	5.2
98.21509	0.6
99.04418	0.8
99.08107	2.6
99.11698	0.6
100.77400	0.4
101.06010	1.8
103.05466	0.5
103.07547	1.2
105.07038	25.5
106.76009	0.5
107.07983	0.7
107.08606	8.9
109.06528	3.2
109.09492	0.7
109.10168	8.0
111.08075	1.1
111.11693	0.5
113.05989	0.8
119.08591	19.7
121.09354	0.7
121.10160	14.8
123.08100	3.4
123.11716	25.5
125.09663	0.5
125.13235	0.6
127.03899	1.8
127.07588	3.0
129.07002	0.9
132.55249	0.5
133.10121	2.1
137.13306	2.9
141.09056	0.9
145.04980	3.2
145.10204	0.7
147.11705	55.4
148.11943	0.8
157.10147	2.0
163.06018	3.4
165.12766	22.6
175.11191	1.8
183.13821	2.4
193.12160	0.5
229.14377	2.7
233.33406	0.6
239.23750	2.3
257.24808	2.3
267.15942	85.7
268.16312	1.7
285.16989	95.4
286.17419	1.9
313.27396	90.2
314.27786	3.0
331.28415	1.6
363.92834	0.5
473.19183	0.5
523.40009	100.0
524.40356	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	882.5421
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05510	15.6
68.04200	0.5
69.03432	1.4
69.06728	0.9
69.07066	9.1
69.93495	0.5
70.79261	1.0
70.84242	0.5
71.04992	1.2
71.08637	15.9
71.86431	0.5
73.02921	1.5
79.05496	6.3
81.03439	1.1
81.07060	36.6
83.04996	2.6
83.08621	8.4
85.02912	6.6
85.06531	1.9
85.10179	9.4
87.04490	0.9
89.06017	1.1
91.03951	4.2
91.04430	0.6
91.05486	7.6
93.07057	4.9
95.04964	0.7
95.08613	17.8
97.02896	3.7
97.06532	3.0
97.10155	3.0
99.08107	1.7
99.11755	0.6
101.06042	0.6
103.07601	0.6
105.07037	11.8
107.08598	4.6
109.06525	2.0
109.10168	5.4
113.05969	0.6
119.08592	10.7
121.10151	7.7
123.08064	2.1
123.11707	13.5
127.03936	1.4
127.07546	1.2
129.07013	1.2
131.08624	0.8
133.10178	1.3
135.21275	0.5
137.13268	1.8
145.04936	1.3
145.10176	0.7
147.11694	28.3
156.67209	0.5
157.10114	1.0
163.06024	1.6
165.12762	11.6
175.11211	1.6
183.13872	0.6
193.12245	1.7
211.13249	0.6
229.14449	1.4
239.23686	2.3
257.24753	1.7
267.15921	44.5
268.16397	0.8
285.16980	44.0
286.17197	0.7
313.27374	100.0
314.27673	2.3
523.39984	69.7
524.40179	3.2
654.26251	0.6
882.45209	0.6
883.45300	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05510	14.8
69.07064	5.7
69.16203	1.2
70.95874	7.9
71.08644	7.9
71.92984	1.9
72.93790	19.9
73.94578	1.5
79.05505	8.1
81.03416	6.2
81.07061	19.3
83.08624	3.3
85.10194	4.6
86.95351	1.8
89.94051	1.5
90.94450	1.0
90.94849	10.3
91.05484	6.7
93.07067	9.2
95.08618	16.5
97.10181	2.4
100.96925	2.0
102.94814	4.2
103.03937	1.7
104.96402	1.8
105.07044	3.6
107.08590	4.0
109.10178	7.1
113.96411	2.9
114.94788	1.9
115.95459	1.3
116.96370	3.8
118.94328	2.4
119.08567	1.4
121.10152	3.8
123.11742	2.0
126.98411	3.8
128.96338	4.3
130.97940	2.9
131.08592	1.4
131.53549	1.4
132.95853	21.5
134.97408	1.8
136.93126	3.0
140.96362	4.0
142.97871	1.3
144.95813	10.8
144.99429	3.6
146.97403	10.9
148.98940	2.2
150.96895	5.7
150.98193	1.4
151.02045	1.9
152.96338	2.3
154.94185	5.5
156.95865	4.5
158.97417	15.6
162.96870	5.3
164.98489	34.7
164.99878	1.6
165.97084	2.1
166.97987	1.6
168.95876	1.5
170.97438	9.6
172.71407	1.1
172.95294	4.5
172.99007	2.0
174.96916	3.0
176.98476	4.2
178.97945	1.7
180.95740	1.3
181.99062	2.1
182.97420	5.2
184.98981	4.6
185.04666	1.2
187.99982	2.1
188.98494	8.0
191.00111	1.5
192.97955	2.0
192.99538	1.8
196.92078	2.9
196.98946	2.7
198.96892	47.9
200.98547	5.9
202.99979	2.7
204.98006	1.6
206.99516	7.0
207.01219	1.8
210.96793	1.5
213.03693	2.2
214.93134	3.4
215.05266	2.0
216.97951	10.2
218.99472	6.4
227.05328	2.0
229.01906	1.3
230.99529	7.4
233.01067	12.4
239.23827	2.0
241.05205	2.1
244.94110	1.4
245.01215	1.9
257.24744	1.5
262.93112	30.9
270.95706	5.1
273.00546	5.7
275.02072	1.3
280.94144	15.4
280.97083	2.5
281.09824	5.6
283.11343	2.6
285.94687	2.6
294.95737	1.4
298.95221	25.5
298.98340	1.9
307.13620	2.1
309.15085	2.4
311.16623	2.2
312.96768	5.0
313.27402	57.4
314.27737	1.4
316.99469	1.8
317.17883	4.7
318.95691	2.1
321.96808	2.6
329.12070	5.0
329.17645	10.0
331.13425	11.4
332.14969	1.3
333.15118	100.0
334.15494	2.1
335.25821	31.5
336.26123	1.9
336.96762	10.5
347.18716	4.2
354.97800	16.8
363.25500	2.1
372.98889	36.5
374.18018	1.4
385.20367	4.5
397.20245	1.4
407.18793	17.2
414.01694	2.6
449.19754	4.0
501.15863	2.6
517.22223	1.7
519.17004	1.5
535.22614	1.5
537.18353	2.0
541.15765	1.5
551.19928	1.9
573.48724	5.8
575.20142	2.2
593.20819	15.6
597.18884	1.5
611.21906	61.0
612.21771	2.1
615.19293	38.6
616.19171	1.7
633.20343	52.6
634.20959	2.2
645.40997	2.1
652.24292	2.2
742.65796	1.4
871.45447	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	869.4833
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	1.2
65.03938	1.3
67.05507	16.2
68.05038	1.4
69.03443	0.9
69.07065	5.6
69.83457	4.1
70.02929	0.9
70.06596	1.2
76.02236	2.8
77.95766	0.8
79.05494	12.7
80.05032	2.8
81.07058	16.5
82.03800	0.7
82.06606	2.1
83.08637	3.4
85.01154	0.7
85.02925	0.9
85.04035	0.8
85.06582	0.8
86.00643	8.9
86.99104	0.9
88.02228	2.3
91.05493	9.5
93.07049	11.7
94.06572	3.2
95.04979	2.1
95.08616	10.4
96.08128	1.3
97.01125	12.1
97.02908	0.7
99.02700	0.7
100.02203	1.2
105.04552	0.7
105.07053	5.5
106.06578	1.1
107.08614	5.5
109.10153	3.9
111.02689	2.9
111.08102	0.9
114.05536	1.0
116.01685	3.9
117.07044	1.7
119.08598	3.1
120.08125	0.8
121.10157	4.1
123.02667	5.5
123.11745	1.3
129.07063	1.2
130.05054	0.8
131.08574	3.8
133.10136	4.4
135.02628	1.1
135.11713	2.3
137.04204	3.8
139.05785	1.0
143.02786	2.5
145.06152	1.1
145.10150	2.1
146.08139	0.8
147.02666	1.0
147.11720	2.1
149.04237	3.3
149.13303	2.8
151.05812	1.6
157.10158	1.5
159.11734	2.9
171.02177	0.7
175.11259	1.1
177.12799	2.6
178.15961	0.8
179.04909	1.6
189.03305	4.8
191.09010	1.2
194.15489	3.0
206.15491	3.2
209.10013	1.9
217.10518	2.5
218.15495	2.5
223.11537	0.9
224.16502	4.2
235.11603	2.5
236.76250	0.8
250.12659	0.9
252.14157	18.8
269.17435	0.9
270.15161	1.3
275.17401	0.9
280.13614	7.8
282.20660	1.0
310.74298	0.7
327.17294	1.7
335.25812	12.1
344.20392	1.7
355.16888	5.9
371.16269	0.9
411.19806	2.5
429.20450	3.9
447.21213	3.5
456.45255	0.7
529.38843	5.2
604.40863	2.8
689.41980	8.0
707.43018	100.0
708.42969	5.1
845.79871	0.8
869.47546	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	0.2
69.03407	0.4
69.07048	0.2
70.06594	1.4
71.04991	1.5
72.08143	0.4
79.05501	1.8
79.86868	0.2
81.03394	0.7
81.06598	0.3
81.07060	4.1
83.04948	0.3
83.08604	0.5
84.04523	0.2
84.08114	0.5
85.02451	0.3
85.02904	3.0
86.09677	0.6
91.05463	0.3
92.64725	0.2
93.03383	0.2
93.07018	0.3
94.07931	0.2
97.02850	0.4
100.11259	1.3
103.05444	0.2
106.96078	0.2
109.02863	0.2
111.04431	0.6
113.45373	0.2
119.08586	0.2
120.08073	0.4
121.02862	0.5
123.00847	0.3
123.04403	0.3
126.09111	0.2
127.03880	0.2
128.07048	0.3
129.05473	0.4
129.10184	0.2
131.04927	0.2
136.07587	0.2
137.02342	4.9
137.05957	0.2
137.57895	0.2
140.06956	0.2
141.01825	0.7
147.04408	0.3
151.03857	0.2
155.07048	0.3
161.09650	0.2
163.03868	0.9
165.01836	1.2
167.07133	0.2
175.03900	0.6
181.05035	0.2
182.15411	1.6
183.02913	0.6
187.03947	0.2
191.03375	0.8
199.03951	0.2
203.03366	0.4
203.06891	0.2
209.16490	0.4
210.14917	1.7
211.07567	0.3
213.05467	0.4
217.04942	0.3
225.05571	0.2
231.06598	0.3
239.07051	0.4
241.04922	0.5
257.08176	0.3
259.05939	0.5
267.06610	0.6
284.12921	0.2
285.07556	0.2
287.05545	0.4
295.06012	1.0
299.05487	0.5
303.04916	2.1
311.05612	0.2
313.07007	1.1
315.04977	65.8
316.05429	1.6
317.11987	0.2
327.05048	0.8
329.06528	3.2
339.05099	0.5
340.05875	0.5
341.06573	14.7
342.06937	0.4
353.06610	0.3
354.07260	0.4
365.10303	0.4
383.11246	100.0
384.06863	0.1
384.11490	3.1
425.88721	0.2
471.35364	0.2
512.90063	0.2
515.37781	0.2
545.16559	11.1
546.17065	0.4
691.22137	1.3
851.58331	1.2
869.60071	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.4584
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	9.0
67.05511	90.1
69.03438	27.1
69.07063	28.0
70.06563	5.4
71.05002	7.2
73.02905	4.9
74.15504	4.2
79.05499	78.3
80.24088	4.2
81.03426	50.7
81.07065	100.0
83.04977	19.2
83.08615	16.7
85.02901	13.4
91.05488	68.5
93.07047	84.7
95.01327	27.8
95.04993	23.4
95.08062	7.1
95.08619	77.3
97.02889	22.0
97.10153	7.1
105.04566	6.0
105.07017	51.0
107.04939	15.5
107.08596	35.0
109.02888	15.1
109.06549	8.8
109.10169	30.6
111.04436	13.1
115.05456	6.6
117.07024	28.7
119.08592	43.5
121.02861	7.9
121.06503	14.2
121.10165	33.7
123.04435	10.9
123.08128	7.6
123.11760	8.1
127.03912	10.3
128.06232	5.4
129.05508	5.9
129.07088	23.8
131.04945	5.5
131.08597	39.7
132.05472	4.4
133.06459	11.9
133.10147	28.5
135.04405	7.7
135.07991	4.4
135.11691	21.0
137.05978	7.8
137.09549	5.6
139.03893	6.4
141.07008	11.8
143.08562	17.1
145.06537	11.2
145.10138	26.2
147.04393	7.2
147.08057	17.7
147.11700	18.7
147.46257	4.5
149.05994	5.7
149.09625	5.5
149.13260	7.2
151.03894	9.6
155.08565	11.6
157.06497	10.0
157.10126	17.2
159.04475	5.1
159.07962	7.1
159.11694	20.6
161.06017	17.5
161.09631	10.0
161.13225	10.9
163.03897	18.0
163.11217	8.4
167.08592	9.9
169.10136	16.8
171.04530	4.4
171.08098	7.2
171.11697	12.9
172.88173	4.5
173.05971	8.7
173.09624	8.9
173.13272	9.7
175.04060	6.3
175.07593	5.0
175.11244	10.6
177.05473	6.4
177.12817	9.0
179.03470	7.9
181.10193	7.4
183.08102	7.1
183.11731	8.5
185.05911	6.0
185.09610	9.6
185.13306	5.9
187.07623	9.5
187.11143	4.8
187.14920	5.2
191.10727	4.8
195.11919	4.4
197.04332	5.3
197.09682	9.1
199.11263	9.4
203.10553	7.5
205.12242	5.8
213.05458	10.6
215.10661	6.5
225.09131	8.8
233.11617	5.9
235.13385	8.0
241.08786	5.1
243.10173	11.8
245.11804	6.3
249.11121	5.5
251.12779	11.8
259.20670	6.3
261.11252	8.4
261.22253	22.6
263.12750	10.2
271.09613	9.3
277.14264	5.7
287.12857	11.4
289.10736	26.5
289.14340	40.0
297.11145	9.0
303.23190	5.9
305.13867	9.2
307.11896	10.6
307.15262	62.3
315.12289	14.1
323.14966	17.0
325.12808	8.6
333.13306	64.3
335.25818	92.6
337.27386	15.4
341.16080	7.0
350.82126	6.0
351.14447	65.4
351.22873	5.0
352.15097	5.1
353.24438	5.6
369.15430	5.4
369.24158	11.1
387.24927	6.9
405.26563	7.5
425.18088	19.9
441.17383	6.1
443.19159	5.2
443.28073	6.3
527.37463	10.1
587.22937	19.4
685.38947	17.3
703.40387	30.2
811.41577	21.3
829.43921	11.1
847.44293	32.6
865.45844	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	861.4971
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	3.4
65.03927	0.4
67.05508	4.6
69.03442	2.7
69.07072	4.1
69.31817	1.4
69.32243	1.2
71.01350	0.3
73.02924	2.7
79.05500	3.9
81.03439	1.9
81.07063	4.9
83.04972	0.6
83.08620	0.6
85.02912	4.1
87.04470	0.5
91.03947	2.0
91.05496	2.6
93.07050	3.6
95.04962	1.0
95.08598	2.4
97.02903	3.1
97.06519	0.7
97.10182	1.1
98.21464	0.8
99.00873	0.4
99.04460	0.6
101.02393	1.3
102.19693	0.3
105.07040	2.4
107.04967	0.6
107.08596	2.4
109.06516	0.5
109.10180	1.0
116.24723	0.3
117.07047	1.1
119.08585	1.3
119.11753	0.4
119.40982	0.4
121.06578	0.5
121.10190	0.5
123.11716	0.6
124.80647	0.3
125.09664	0.3
127.03936	1.1
129.05524	0.4
129.07066	0.4
131.08578	1.0
133.06541	0.4
133.10153	0.9
133.15924	0.3
135.11711	0.6
136.06226	1.2
143.08496	0.4
145.10172	0.6
147.11748	0.6
149.09619	0.5
152.84193	0.3
159.11798	0.6
163.03981	0.4
177.12781	0.4
185.04280	0.7
201.03770	0.6
203.05237	0.4
207.75598	0.3
233.55014	0.4
243.08371	3.6
243.10384	0.3
259.08072	0.4
275.35895	0.3
293.24796	0.4
301.09030	0.9
304.62149	0.3
313.09381	0.4
315.10529	0.4
333.20276	2.4
334.47406	0.4
389.23056	0.9
436.82404	0.4
439.19540	0.8
453.21344	0.8
465.20975	0.5
551.28296	8.7
551.36438	0.6
552.29236	0.4
572.01453	0.4
623.30499	0.7
723.39307	0.3
861.49677	100.0
862.50153	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	858.3768
Annotation	Unknow
Peak:m/z	Relative Intensity
60.51595	0.3
67.01900	0.7
67.05543	0.3
67.26885	0.3
67.59488	0.3
68.05029	0.9
68.99764	0.4
69.03427	0.8
69.07080	1.8
70.06596	100.0
71.01357	0.7
71.06930	0.5
71.49485	0.5
72.08137	0.4
81.03430	0.6
84.08146	0.7
85.02905	2.2
85.04055	0.3
86.09708	8.6
91.05525	0.4
95.01342	1.4
97.02910	0.5
101.03510	1.3
113.07170	0.7
115.05474	0.5
125.07126	1.1
129.10277	0.7
131.04950	0.5
141.06613	3.2
141.10237	2.2
143.04948	0.5
144.67871	0.4
157.09726	3.8
165.07076	0.6
169.09805	0.4
179.08617	1.1
183.14955	2.2
187.10828	0.6
189.07082	0.5
191.08597	0.7
197.09410	0.4
202.07863	0.5
203.08682	0.6
205.06572	0.8
206.07237	0.8
207.08083	3.3
209.12949	1.3
211.07791	0.5
215.08670	1.4
218.07288	1.7
219.08080	2.2
221.05949	3.5
221.09720	1.0
223.07574	2.6
228.09061	0.4
229.15486	38.9
230.15889	0.6
231.08057	2.3
233.09689	1.5
234.06847	1.0
234.09187	1.0
235.07550	10.1
237.05432	2.1
239.13966	0.4
242.07280	0.4
243.08086	1.1
245.05992	0.9
245.09625	1.7
246.06932	0.6
247.07581	7.9
248.07651	0.3
249.09267	0.5
251.07013	0.5
252.10254	0.7
255.08163	1.4
257.09726	0.6
258.06696	0.8
259.07620	2.5
260.07114	0.8
261.05600	1.5
261.09030	2.2
262.06192	0.4
262.08752	1.2
263.07117	3.0
266.15005	2.4
271.07578	2.8
271.61435	0.4
272.08124	0.6
273.05630	1.2
273.09198	4.9
274.06332	1.6
275.07065	4.3
276.07349	0.5
277.08734	1.1
278.08127	2.4
279.06717	0.4
280.09732	2.4
283.07458	0.6
285.05817	0.5
285.09177	1.1
286.06024	0.5
286.08795	0.5
287.07062	3.5
288.07437	0.7
289.05444	0.6
289.08490	2.8
290.08218	2.0
291.06418	2.3
293.08157	2.1
294.14478	3.5
298.06067	0.7
298.09003	0.5
299.07047	1.7
300.07663	0.6
301.08600	4.8
302.05490	0.7
302.08496	0.8
303.06522	4.6
304.06387	0.6
304.09778	0.8
305.08060	3.9
306.07910	0.4
308.09445	0.7
311.07138	1.3
313.05035	0.8
313.08652	1.2
315.06439	1.8
316.07175	1.2
316.09927	1.4
317.08090	4.2
319.09637	1.8
320.09406	0.7
321.07635	1.9
326.08261	1.4
327.06461	5.5
327.09805	0.5
328.09814	1.3
329.08066	5.9
330.07983	1.2
330.11487	0.7
331.06244	0.7
331.09793	1.3
332.09204	1.0
333.07571	1.1
335.09094	4.6
336.08749	1.1
341.08429	0.5
342.07657	0.9
344.09167	4.2
345.07556	13.9
346.07333	0.6
346.11429	1.7
346.14484	0.6
347.09161	3.1
348.08759	2.0
350.10510	0.6
354.07397	0.6
356.09216	1.8
357.07590	7.6
357.11826	0.6
358.11072	0.6
359.09149	1.9
362.09894	0.4
365.10397	0.8
366.09995	0.6
368.11331	0.6
370.07132	0.5
372.08670	11.6
373.07959	0.5
374.10251	3.7
375.08652	7.4
379.23642	1.9
380.11389	1.1
384.09012	0.5
390.09750	15.8
391.09094	0.6
391.16519	2.1
392.11319	2.8
393.09702	2.4
398.12271	2.2
400.08353	0.7
402.09720	2.9
403.08606	0.5
407.22983	0.7
408.10803	5.0
410.12469	0.7
416.16379	0.7
417.14743	0.8
420.10776	9.0
425.23990	1.2
431.16351	0.5
438.11838	6.0
442.16306	0.5
454.19888	0.5
456.12869	2.9
457.17700	0.9
462.16782	0.5
473.17139	0.9
485.17133	5.0
487.14767	2.4
505.16183	1.6
512.18512	0.7
513.16577	10.3
514.18036	0.6
517.16193	1.5
528.17804	2.4
530.19482	1.1
531.18164	0.6
532.20825	0.8
535.17297	1.1
546.18945	0.9
548.20770	0.7
553.18219	4.1
558.18695	5.9
558.26642	0.5
571.19373	0.9
576.19763	14.1
577.20667	0.7
594.21161	1.4
600.24274	0.5
612.22015	2.8
615.25153	0.4
618.24689	2.1
621.23712	0.4
630.23267	4.9
636.25873	0.9
638.26660	0.7
643.23993	1.4
645.25793	0.5
648.25580	2.3
663.26245	0.5
666.26495	4.6
673.24707	1.9
681.27393	0.6
684.27637	17.2
685.28094	1.0
691.26129	0.9
709.27557	0.7
774.33282	0.5
786.33148	1.3
804.34583	2.8
822.34814	2.5
840.36615	5.4
841.37115	0.6
858.37872	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	856.5418
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02895	3.1
65.03921	6.4
67.05508	100.0
69.03413	11.6
69.06741	3.8
69.07073	54.5
71.04969	9.6
72.49113	2.6
73.74938	2.5
76.64176	2.6
76.92082	3.4
77.03954	4.0
79.05499	90.4
81.03425	16.6
81.07063	95.2
83.04986	15.0
83.08622	29.7
85.02893	6.9
85.06549	6.4
91.05487	79.1
93.06490	4.8
93.07050	71.8
95.01339	3.8
95.04971	17.0
95.08609	50.8
96.52560	2.7
97.02876	6.1
97.06551	24.6
97.10192	25.6
99.08130	5.0
99.40263	2.6
103.05472	2.9
105.07041	64.0
107.04953	15.2
107.08590	68.0
109.06480	7.8
109.10165	26.8
111.08068	7.7
113.57511	2.6
115.05452	5.2
117.07011	27.7
119.08592	42.8
119.76160	2.8
121.06473	6.2
121.10132	24.5
123.08076	6.5
123.11708	6.4
123.73766	2.9
124.49959	2.9
125.09644	25.9
127.03934	3.6
129.07002	10.0
131.08597	34.3
133.10130	37.6
135.08015	7.6
135.11693	18.9
137.09575	6.8
141.06938	4.2
142.07822	3.2
143.08537	12.7
145.10124	32.4
147.11674	22.0
149.09607	22.5
149.13237	7.9
151.11212	4.0
155.08496	6.9
157.10118	10.3
159.11687	21.9
159.49861	2.8
161.13229	10.8
163.11195	17.8
165.12720	3.2
169.10066	7.5
171.11690	9.0
173.11827	5.6
173.13258	15.3
175.11145	6.4
177.12689	6.7
179.14281	5.2
181.10210	3.3
181.12183	3.1
183.11789	4.3
185.13217	5.5
187.11201	5.6
187.14801	3.8
189.11215	17.4
195.13766	2.9
197.13219	6.5
209.13124	2.6
227.12764	42.3
229.14359	4.9
229.19383	6.1
239.17964	6.3
241.19490	3.2
245.14049	3.7
247.20537	5.7
253.17914	4.2
255.15953	6.3
257.18958	18.9
269.17514	25.9
275.20078	83.4
293.21100	5.8
293.67908	3.4
305.14059	3.4
330.97025	3.1
331.22586	3.4
349.23730	64.5
351.06613	3.1
367.24802	4.3
404.08487	2.9
423.27481	3.1
447.30472	3.2
451.31760	3.2
503.33548	4.3
519.32971	9.8
525.35394	5.5
529.35303	14.0
543.36865	35.6
623.43250	20.3
641.44250	6.5
660.26709	2.9
723.95966	3.4
762.81140	3.1
857.45294	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	856.4541
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	69.7
64.09152	2.0
67.05512	50.4
69.03439	10.2
69.07082	12.6
69.14526	9.9
69.14959	10.8
73.02922	27.6
79.05498	31.9
81.03423	3.2
81.07064	58.3
83.04987	2.2
83.08622	6.7
85.02912	95.3
91.03961	80.4
91.05487	19.4
93.07051	48.9
93.07636	2.5
95.04942	3.4
95.08617	44.4
97.02901	47.3
97.06537	2.2
99.04462	6.8
101.02404	2.3
103.03951	3.3
105.07061	14.4
107.08606	26.5
109.10163	22.3
115.03942	6.2
117.07051	8.2
119.08581	13.0
121.10156	23.7
123.11720	13.4
127.03927	33.4
131.08577	20.0
133.10152	9.2
135.11697	18.7
137.09683	2.6
137.13223	3.8
145.04970	52.2
145.10091	14.4
147.11731	10.6
149.13278	18.2
159.11720	14.0
159.12933	1.8
161.13283	8.2
163.06033	94.7
163.14821	16.1
164.06259	2.2
173.13237	11.9
175.14842	3.8
177.16402	5.5
187.14854	8.5
201.16364	2.5
233.22623	2.2
243.21109	33.6
261.22162	100.0
262.22574	2.6
263.23694	2.7
279.23257	2.9
325.11429	3.4
335.25922	16.9
353.26892	74.0
524.05566	2.5
598.26953	3.0
660.51105	2.2
822.53845	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	856.5423
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02912	3.8
65.03939	3.9
67.05509	100.0
68.05824	1.8
69.03419	3.6
69.07070	18.1
71.04981	4.5
71.22487	2.4
71.22824	2.8
73.02889	2.1
79.05500	49.0
81.03410	11.2
81.06598	3.8
81.07059	66.0
83.04967	8.1
83.08614	14.1
84.27319	1.8
85.02905	11.7
85.06536	3.8
87.04466	5.9
91.05489	29.0
93.07053	43.6
95.04944	6.3
95.08614	43.3
97.02903	3.5
97.06525	6.6
97.10189	14.0
100.91308	1.8
105.07033	19.1
107.04998	2.9
107.08607	24.2
109.06484	4.2
109.10162	48.0
111.08073	4.4
117.06994	8.5
119.08588	17.0
121.06537	1.7
121.10157	19.3
123.08031	2.1
123.11684	3.2
125.09663	16.2
129.05472	2.4
131.08546	11.6
133.10118	9.9
135.11694	14.7
137.09668	2.0
139.11133	2.2
143.10669	3.5
145.10117	8.0
147.11687	5.7
149.09636	2.4
149.13248	7.6
153.12755	3.3
155.10652	3.8
159.11667	5.2
161.13165	2.7
163.11169	4.4
163.14735	2.2
165.64851	1.9
173.11740	13.3
173.13266	5.0
181.12187	2.7
187.14742	2.4
189.11060	1.8
191.10706	2.0
199.13278	5.5
201.16399	2.1
209.11818	4.5
216.08223	1.8
227.12831	5.7
229.14381	40.3
243.21077	3.0
257.13925	2.5
261.22150	15.0
267.15945	2.4
283.01746	2.4
283.15344	2.7
301.16513	13.4
335.25824	83.4
336.26013	2.4
399.23672	11.4
459.34869	2.1
477.35706	6.7
489.35867	18.5
561.38171	4.0
579.39270	3.2
659.45197	22.4
675.24072	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4556
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	5.0
67.05498	5.9
69.03424	4.3
71.48279	0.8
73.02904	3.8
78.12423	0.7
79.05491	1.7
80.67959	0.6
81.03434	2.0
81.07053	2.5
85.02902	6.7
91.03963	3.3
91.05490	2.0
93.07030	1.7
95.08624	1.7
97.02888	5.9
99.04436	1.1
101.02402	0.9
101.64088	0.7
101.71869	0.7
105.07055	1.1
109.10159	5.5
127.03928	2.2
139.75391	0.7
158.16321	0.7
162.02324	0.6
162.83600	0.7
173.11790	1.2
185.04239	0.8
229.14455	0.9
243.08469	2.6
347.09589	3.1
365.10391	0.9
405.13843	5.6
413.17865	9.1
473.88583	0.8
519.29541	2.8
528.25128	0.8
575.23108	10.0
681.34900	3.5
691.40814	1.3
853.45526	100.0
854.45447	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	853.4556
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	5.0
67.05498	5.9
69.03424	4.3
71.48279	0.8
73.02904	3.8
78.12423	0.7
79.05491	1.7
80.67959	0.6
81.03434	2.0
81.07053	2.5
85.02902	6.7
91.03963	3.3
91.05490	2.0
93.07030	1.7
95.08624	1.7
97.02888	5.9
99.04436	1.1
101.02402	0.9
101.64088	0.7
101.71869	0.7
105.07055	1.1
109.10159	5.5
127.03928	2.2
139.75391	0.7
158.16321	0.7
162.02324	0.6
162.83600	0.7
173.11790	1.2
185.04239	0.8
229.14455	0.9
243.08469	2.6
347.09589	3.1
365.10391	0.9
405.13843	5.6
413.17865	9.1
473.88583	0.8
519.29541	2.8
528.25128	0.8
575.23108	10.0
681.34900	3.5
691.40814	1.3
853.45526	100.0
854.45447	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	852.4797
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	1.0
65.95087	0.7
67.05505	5.8
69.03423	4.9
69.07072	82.6
70.06590	2.8
71.04981	1.7
71.48276	1.0
73.02914	1.4
73.06564	4.9
79.05495	2.0
81.03424	5.2
81.07063	11.5
81.07813	0.6
82.06743	0.6
83.08624	2.1
84.08159	0.8
85.02912	10.3
86.09711	1.4
87.00821	3.8
87.04473	11.4
89.06034	100.0
91.05505	1.2
93.07049	1.9
95.04969	0.7
95.08611	11.4
97.02890	3.7
98.80803	0.7
99.04456	0.9
105.01848	1.5
105.07036	1.0
107.07087	1.3
109.02885	3.6
109.10158	3.9
111.11723	39.6
117.09168	4.3
119.08546	0.8
120.08111	0.8
121.10133	1.0
125.09662	0.7
127.03915	5.0
130.08633	0.8
131.04881	0.6
131.07077	3.7
131.08653	0.7
133.08607	63.8
134.08945	0.9
135.10172	1.0
135.11714	1.5
137.13274	5.0
145.04948	1.0
146.52261	0.7
147.11757	0.8
151.09676	1.7
155.14319	2.4
157.10136	0.8
159.02972	1.1
167.07024	0.8
175.09708	2.5
177.11237	31.7
181.03392	0.7
188.39288	0.6
190.26521	0.7
195.12363	0.9
199.15205	0.9
199.16937	4.7
219.12331	1.2
221.13832	9.7
223.15494	2.0
231.05167	0.8
239.14915	2.6
243.19585	12.0
265.16534	2.6
281.12878	0.7
283.17609	4.0
299.05865	0.8
303.23495	0.6
305.23453	1.3
309.19171	2.1
311.20779	0.9
315.13477	0.8
327.20267	2.3
349.25760	1.1
353.21771	1.3
356.37125	0.6
371.22794	1.3
393.28546	0.8
397.24472	1.2
415.25278	1.5
437.31158	1.1
459.28146	10.4
481.33902	1.9
525.36139	2.9
569.39014	46.5
570.39270	2.0
587.40021	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	848.5003
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05005	3.3
61.02930	12.3
65.03942	2.8
67.05507	100.0
68.05824	0.8
69.03430	2.9
69.07067	7.1
70.06595	0.8
71.04985	3.7
73.02895	3.9
75.47530	0.7
79.05495	19.8
81.03421	1.0
81.07060	36.7
83.04944	0.8
83.08623	9.2
84.36032	0.6
85.02908	13.1
85.06553	3.0
87.04476	0.6
87.88313	0.6
89.36157	0.6
91.03951	8.9
91.05485	12.8
93.07043	24.4
95.04984	1.4
95.08609	25.2
97.02893	7.5
97.06521	1.5
97.10159	1.5
99.04503	0.6
105.07032	7.1
107.08601	15.5
109.02856	0.7
109.06514	1.1
109.10159	80.5
110.10487	1.3
111.08089	4.1
117.07002	3.8
119.08590	11.0
121.10143	11.6
121.81012	0.6
123.11712	4.3
125.09657	1.3
127.03940	4.2
131.08568	6.5
133.10138	4.8
135.11702	8.3
137.09633	3.5
137.13261	1.0
142.94064	0.6
145.04970	5.6
145.10101	4.2
147.11699	3.9
149.13237	4.7
153.10631	0.6
153.12729	0.6
155.10658	6.8
157.10069	0.8
159.11728	3.6
161.13226	3.7
163.06035	4.9
163.14801	3.1
173.11789	21.3
173.13287	3.8
175.14862	1.7
177.16429	1.1
187.14806	1.7
189.11264	0.9
201.16385	0.9
227.12761	6.3
229.14357	96.5
230.14696	1.7
243.21123	4.4
261.22147	18.1
262.22507	0.8
290.38068	0.7
317.24832	3.2
335.25806	66.4
336.26160	2.4
373.18280	0.8
379.29813	0.8
397.30743	2.1
415.31958	1.7
433.33270	0.9
471.34494	2.1
489.35779	44.8
490.35950	2.0
507.36917	5.9
742.85468	0.7
810.37531	0.7
848.50378	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	848.5002
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05000	3.4
61.02929	11.8
64.95600	0.7
65.03933	2.9
65.23241	0.6
67.05506	100.0
69.03439	3.5
69.07071	8.2
71.04986	4.0
73.02916	3.2
77.03949	0.7
79.05496	22.8
81.03422	2.7
81.07059	38.5
83.04985	1.8
83.08627	9.6
85.02906	11.6
85.06531	2.5
85.13356	0.7
88.94323	0.7
91.03956	7.4
91.05482	17.9
91.06028	1.4
93.07046	27.7
95.05008	1.2
95.08611	29.5
96.04502	1.0
96.08968	0.8
97.02893	6.6
97.06534	2.0
97.10185	2.4
99.04494	1.2
99.08114	1.0
105.04536	0.8
105.07034	9.5
107.08599	16.5
107.09296	0.9
109.06562	1.0
109.10161	77.7
111.08085	3.9
113.95112	0.7
115.03951	1.2
117.06990	4.0
119.08590	13.2
121.10142	12.5
123.11748	3.2
125.09684	2.2
127.03919	3.9
131.08553	5.7
133.10149	5.4
135.11697	9.1
137.09657	3.0
143.08578	0.9
143.44038	0.7
145.04955	4.0
145.10114	4.6
147.11728	3.2
149.13298	4.5
155.10678	8.0
159.11700	4.9
161.13254	3.4
163.03876	0.9
163.06024	4.0
163.14870	2.9
173.11800	18.6
173.13326	4.4
175.14862	1.7
187.14915	2.4
189.11333	0.8
201.04893	0.7
227.12701	5.0
229.14355	85.6
230.14767	1.4
241.19720	0.8
243.21077	5.6
261.22131	19.0
262.22531	0.8
297.46024	0.8
314.55759	0.7
317.24985	3.6
333.13470	2.1
334.13855	1.2
335.25803	73.2
336.26385	2.3
397.31284	1.6
415.32486	1.1
471.34775	2.3
489.35767	71.2
490.36069	3.8
507.36798	7.4
590.75531	0.9
656.80975	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.5178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04999	0.3
61.02655	0.4
61.02937	4.9
67.05180	0.6
67.05509	7.0
67.06614	0.3
69.03435	3.0
69.07069	3.1
69.33478	0.6
69.33884	2.1
71.01366	0.5
71.05006	0.7
72.60099	0.3
73.02924	3.6
79.05496	4.0
81.03428	1.9
81.07064	5.8
83.04996	0.5
83.08629	1.2
85.02914	4.8
87.04468	0.5
91.03969	2.4
91.05491	2.4
93.07051	4.0
95.04980	0.4
95.08622	3.3
97.02896	4.8
97.06523	0.5
97.10199	0.8
98.20785	0.5
99.04478	1.0
101.02387	2.1
105.07046	1.7
107.08611	2.4
109.02902	1.1
109.06525	0.6
109.10159	2.5
109.80918	0.4
115.04034	0.4
116.18516	0.3
117.07082	0.6
119.08590	1.6
121.10146	1.5
123.11745	0.3
125.09654	1.0
127.03937	1.2
131.08563	0.7
133.10165	0.9
135.11739	0.8
147.11748	0.6
161.13344	0.3
173.11894	0.5
185.04279	1.2
203.05412	0.5
243.08327	2.4
259.07950	0.4
313.09189	0.5
335.26047	0.7
351.21649	2.2
407.24014	0.4
413.17908	0.6
415.17868	0.4
519.29279	4.9
569.29327	6.2
847.51794	100.0
848.51935	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	845.5019
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	5.6
67.05510	7.6
69.03427	2.6
69.07078	2.2
71.04999	0.9
71.48489	0.9
73.02924	4.1
77.91340	0.7
79.05492	5.3
81.03442	2.1
81.07056	6.0
83.04989	0.9
83.08610	1.0
85.02911	5.3
91.03976	3.3
91.05508	3.4
93.07040	4.7
95.08604	4.7
97.02894	5.6
97.06532	1.5
99.04468	1.2
101.02422	1.4
105.07060	1.6
107.08639	2.2
109.02906	0.9
109.10190	2.4
113.00053	2.3
117.07095	0.7
119.08623	2.8
121.10170	2.2
123.11741	0.9
127.03896	1.1
131.08572	1.2
133.10181	1.6
135.11687	1.2
145.04930	0.7
145.10146	1.1
149.13319	0.8
159.11763	0.8
169.02638	4.0
243.08501	2.0
315.77359	0.6
349.19858	6.2
410.07373	0.7
519.29333	7.0
567.28040	2.6
845.50208	100.0
846.50189	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	845.4806
Annotation	Unknow
Peak:m/z	Relative Intensity
65.13618	0.9
69.27687	0.9
71.49191	1.1
76.86094	1.2
77.28847	1.0
93.28461	1.2
99.27204	1.2
118.82345	1.0
138.47705	1.1
181.12103	1.1
198.26122	1.0
214.03951	1.0
250.76607	1.0
258.74954	1.0
293.88397	1.0
344.10580	1.1
463.05377	1.1
834.02563	1.2
845.48114	100.0
846.48370	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	845.502
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	4.3
65.03944	0.4
67.05508	4.7
69.03432	3.1
69.07082	2.2
69.82391	2.1
71.05003	0.6
73.02915	2.9
73.82687	0.3
73.99966	0.4
79.05492	3.9
81.03423	1.7
81.07050	4.7
83.04980	0.8
83.08598	0.5
85.02893	4.6
91.03957	2.5
91.05473	4.3
93.07044	5.2
95.08598	2.2
97.02896	3.6
97.06550	0.7
97.10167	0.4
98.20796	0.5
99.04453	1.0
101.02406	1.3
105.07025	4.0
107.08601	2.1
109.02910	0.7
109.06453	0.6
109.10175	1.1
117.07027	1.2
119.08587	2.6
121.10102	0.9
123.08071	0.5
125.09588	0.5
127.03939	1.1
129.07040	0.5
131.08572	1.5
133.10124	2.1
135.08159	0.4
135.11685	1.3
145.10129	0.9
147.11728	1.2
159.11714	0.8
173.13214	0.5
185.04286	0.9
201.03677	0.5
203.05219	0.5
243.08423	3.3
297.57303	0.4
301.09134	1.1
315.10590	0.7
333.20383	2.8
369.15292	0.5
373.11014	0.4
389.23087	0.7
431.24811	0.5
439.19485	0.6
453.21286	0.4
465.21365	0.9
469.20255	0.5
535.28925	6.0
541.22711	0.7
551.28186	6.6
623.30609	0.8
665.34753	0.6
678.64215	0.5
707.39258	0.4
845.50189	100.0
846.50500	7.7
846.65833	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.5625
Annotation	Unknow
Peak:m/z	Relative Intensity
59.02646	1.3
59.04993	3.0
65.03938	3.6
66.78046	1.5
67.05508	100.0
69.03429	2.9
69.07072	20.0
69.12903	12.5
69.13309	2.4
70.06628	1.7
71.04987	4.4
79.05499	48.7
80.04151	1.3
81.03436	1.5
81.07060	69.3
83.04986	3.5
83.08628	13.4
85.02876	2.2
85.06543	3.2
91.05483	31.6
93.07047	53.0
95.04990	6.6
95.08611	51.7
97.02892	2.3
97.06518	6.4
97.10173	7.8
99.08100	2.4
105.07037	25.5
107.04939	3.9
107.08603	38.3
109.06489	4.1
109.10162	54.2
111.08079	4.1
112.87959	1.4
117.07040	8.4
119.08588	23.1
121.06487	2.3
121.10159	21.4
123.08064	3.1
123.11707	7.0
125.09644	5.8
129.06993	1.8
131.08559	13.3
133.10161	18.7
135.07974	1.7
135.11713	11.9
137.09604	3.5
137.83226	1.3
139.11295	1.5
143.08522	3.0
145.10100	12.7
147.11682	11.3
149.09613	4.1
149.13242	10.7
151.11223	2.0
155.10736	2.8
157.10121	2.4
159.11713	7.6
161.13274	4.6
163.11189	3.5
163.14777	3.8
165.12718	1.8
169.10094	2.2
171.11641	3.4
173.11719	7.7
173.13284	6.9
175.10941	1.8
175.14819	2.4
177.12729	1.8
185.13202	2.7
187.14838	2.8
189.11246	3.5
189.68880	1.4
194.50786	1.4
195.13815	3.0
204.46791	1.3
227.12827	9.5
229.14348	43.3
239.18196	1.6
243.21106	4.1
247.20695	1.7
257.19046	3.7
261.22128	13.4
269.17490	14.1
275.20087	23.2
293.21173	4.2
317.24991	2.2
335.25821	79.1
336.26263	2.4
349.23730	12.3
359.45615	1.5
367.24878	15.8
480.72748	1.7
489.35794	28.8
507.36792	3.0
515.36926	1.7
529.38849	26.2
553.42822	1.8
569.41907	4.0
609.45105	22.3
627.46216	12.4
843.47986	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	840.547
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02953	5.9
67.05506	95.4
69.03426	8.3
69.07069	36.5
70.01733	15.7
70.02144	10.1
70.06596	9.0
71.04976	5.2
71.08669	5.8
74.58019	4.4
79.05494	79.2
81.03413	16.8
81.07059	87.2
83.04954	8.0
83.08613	22.0
85.02927	9.6
85.06551	6.7
89.22695	4.9
91.05486	100.0
93.07050	87.3
95.04952	10.1
95.08605	54.8
97.06541	11.4
97.10165	14.7
99.04460	5.0
103.05492	5.3
105.07039	90.4
107.04989	5.4
107.08590	55.1
109.10152	21.8
111.08136	5.8
116.07141	5.4
117.07009	39.1
119.08598	59.7
121.06509	7.1
121.10148	33.5
123.11671	6.6
125.09614	6.6
129.07002	20.7
131.08597	38.1
133.10162	46.4
135.08086	7.8
135.11702	23.4
141.07033	6.2
143.08589	26.7
145.10106	33.4
147.11641	27.2
149.09615	7.9
149.13274	12.7
153.06973	5.1
155.08604	9.3
157.10114	14.2
159.11729	26.2
161.13264	19.1
163.14993	5.4
167.08635	6.0
169.10092	13.5
171.11673	22.5
173.13284	12.2
173.35768	4.8
175.14862	8.2
179.08446	5.7
181.10095	6.5
183.11702	13.2
185.13231	11.1
187.14839	5.1
195.11691	10.5
197.13261	10.9
199.14922	7.8
209.13196	5.3
241.19601	6.7
259.20673	36.5
269.17383	8.1
275.20105	11.0
313.21564	6.8
333.24399	36.2
349.23648	7.5
435.32553	9.1
513.36163	23.7
527.37659	24.1
602.29016	5.2
607.43738	29.4
625.44678	28.5
633.13953	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	839.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02941	57.0
62.63418	12.3
66.14915	10.8
67.05508	74.6
69.07071	19.6
71.48351	21.1
73.02930	27.1
74.19626	11.4
79.05501	66.6
81.03449	12.2
81.07057	64.3
83.08588	10.7
85.02910	77.9
90.03672	10.0
91.03967	86.0
91.05486	24.5
93.07070	60.0
95.08607	86.8
97.02894	35.2
97.60473	11.1
105.07051	16.9
107.08604	38.0
109.10166	43.4
117.07042	11.3
121.10155	33.8
123.11698	31.3
127.03915	31.9
131.08514	21.4
135.11694	27.1
145.04944	47.3
147.11685	16.8
149.13278	19.3
159.11729	13.8
161.13216	23.5
163.05991	73.7
163.14813	15.7
193.12379	11.5
243.21117	48.0
261.22168	100.0
266.71118	10.8
335.25888	15.0
350.84860	12.9
353.26843	44.3
442.51135	11.4
648.93073	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	836.4853
Annotation	Unknow
Peak:m/z	Relative Intensity
59.61466	0.8
61.02935	1.4
65.03925	1.1
67.05509	14.0
69.03432	9.7
69.07076	15.5
70.02970	2.1
70.03354	2.2
70.06596	4.6
71.04976	2.9
71.08629	1.8
72.08147	2.7
73.02921	2.2
73.06573	5.0
79.05501	4.5
81.03434	11.4
81.07067	21.6
81.78176	1.2
83.08626	49.8
84.04498	1.8
85.02912	17.0
85.06544	1.8
86.09715	4.7
87.00824	6.8
87.04485	8.7
89.06039	100.0
91.05490	4.9
93.07053	8.6
95.08615	22.8
97.02908	6.4
97.06554	1.2
97.10179	14.8
99.04475	2.7
105.01855	3.6
105.07046	8.8
107.07036	2.1
107.08592	9.2
109.02885	7.3
109.06480	1.3
109.10161	15.4
110.07156	3.3
111.08071	1.6
117.01804	1.5
117.07011	2.3
117.09134	5.8
119.08606	6.9
120.08115	2.0
121.10142	3.8
123.04429	1.1
123.11707	3.3
125.09647	2.3
127.03938	11.8
129.06985	1.3
129.10207	1.1
130.04990	1.0
130.08690	1.6
131.07025	2.6
131.08580	3.1
133.08615	60.4
133.10075	4.8
135.11699	3.8
137.06035	1.0
137.09624	1.2
137.13251	1.9
139.14784	1.4
143.08588	1.1
145.04967	3.0
145.10141	5.8
147.07709	2.6
147.11681	3.8
149.13275	2.6
151.09631	1.1
157.10121	2.7
159.02901	2.2
159.11703	4.9
161.05933	1.1
161.11864	1.6
161.13277	2.8
163.14838	1.8
165.16368	1.8
167.07053	1.4
171.11694	1.6
173.13271	2.1
175.09669	2.5
175.14809	2.8
177.11238	29.6
183.17392	1.2
185.13333	1.1
187.14873	1.3
195.12184	1.1
199.14825	2.7
201.16379	2.1
213.03954	1.0
213.16330	2.2
221.13863	9.5
227.17979	2.0
227.20056	14.4
229.19504	1.5
231.04893	1.3
239.14876	2.0
241.19289	1.1
265.16495	4.1
269.22684	5.8
271.22650	11.9
283.17447	3.8
287.23709	2.2
309.19073	2.3
315.25165	1.3
327.20267	1.5
333.26331	1.6
353.21796	1.6
371.22638	2.5
415.25455	11.1
421.31448	1.1
465.34210	1.9
509.36710	2.6
553.39471	47.6
554.39380	2.6
571.40656	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	833.4297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.06253	0.7
61.02934	3.5
67.05511	4.1
69.03436	3.7
69.07073	1.3
69.48557	3.5
69.48962	1.3
71.06537	0.7
73.02924	3.3
79.05505	3.8
81.03420	1.3
81.07056	6.1
81.20177	0.7
83.08615	1.4
85.02914	3.8
91.03982	2.0
91.05489	2.6
93.07059	3.2
95.04948	1.2
95.08613	3.3
97.02908	4.2
97.10162	1.4
99.04480	1.4
101.02410	1.6
105.07059	1.0
107.08628	2.2
109.10163	1.3
115.04077	0.8
117.07066	1.7
119.08601	1.0
119.37170	0.7
121.10139	1.4
125.09647	1.0
127.03878	0.9
129.06993	0.7
131.08623	1.3
133.10204	1.3
135.11766	0.9
143.46724	0.7
145.10156	1.5
149.02390	2.6
155.08649	1.0
173.09608	1.2
185.04236	1.1
201.09207	1.6
210.38734	0.8
219.10240	2.1
229.08688	1.5
243.08304	0.8
247.09787	1.0
258.91827	0.8
307.11575	0.9
337.12579	13.0
393.15292	2.8
519.29639	3.0
555.20563	8.7
833.42963	100.0
834.43469	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	833.4295
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27512	0.6
61.02933	5.3
65.13967	0.6
65.23635	0.5
67.05517	6.1
69.03437	4.0
69.07086	1.5
69.71439	2.7
71.05029	0.7
73.02925	4.5
79.05496	4.0
81.03426	2.0
81.07060	4.9
83.08650	0.6
84.76440	0.5
85.02923	4.6
85.06577	0.5
89.56190	0.5
91.03977	3.5
91.05499	2.2
93.07050	3.8
95.08603	3.6
97.02907	4.9
97.10171	0.6
98.61656	0.5
99.04464	0.9
101.02403	1.1
105.07051	2.0
107.08607	2.7
109.02887	0.6
109.10196	2.0
117.07009	0.9
119.08600	1.2
121.06554	0.5
121.10176	1.9
125.09643	1.1
127.03973	1.7
131.08589	1.3
135.11685	1.0
145.10193	1.0
149.02377	1.1
159.11749	0.7
173.09749	0.7
209.51866	0.6
219.10196	0.7
243.08409	1.6
247.09650	0.7
294.33862	0.5
301.87424	0.6
335.25806	0.6
337.12613	19.9
393.15048	1.3
458.76263	0.5
519.29315	4.8
555.20569	4.0
833.42938	100.0
834.43646	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.5072
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68050	0.4
60.21824	0.5
61.02932	4.1
67.05510	4.4
69.03434	2.6
69.07099	1.5
71.01345	0.5
73.02927	2.4
79.05490	5.4
81.03448	1.4
81.07060	3.6
82.30439	0.5
83.08621	0.9
85.02903	4.0
85.06559	0.7
86.06063	0.4
87.04486	2.1
88.39411	0.5
91.03987	2.2
91.05492	3.1
93.05033	0.6
93.07047	6.6
95.04996	0.8
95.08588	2.8
97.02886	3.7
99.04496	0.6
101.02406	1.2
104.07148	2.0
105.07039	3.9
105.33372	0.5
107.08596	2.5
109.02938	0.9
109.10196	0.8
117.07048	1.5
119.08590	2.6
121.10198	1.7
123.11728	0.6
127.03938	1.1
131.08629	1.0
133.10156	2.4
135.11745	1.0
143.08621	0.7
145.10207	1.1
147.11728	2.0
159.11823	0.6
160.20607	0.5
161.13419	0.6
171.11789	0.5
185.04295	1.3
195.94110	0.5
241.19308	0.5
243.08403	4.6
259.20602	0.7
301.09122	1.8
313.08939	0.6
315.10641	1.2
317.21103	1.1
341.12280	0.8
373.23660	0.8
397.18451	0.7
456.32428	0.5
465.21317	1.1
525.23218	1.9
535.28809	14.7
536.29163	1.0
607.31335	1.4
829.50714	100.0
830.50830	7.6
858.08124	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.5571
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06604	83.4
59.06125	4.3
60.04514	1.2
61.02928	4.5
65.03941	2.2
67.05185	1.6
67.05509	23.4
69.03426	2.0
69.07063	7.9
69.40642	0.8
70.06591	3.1
70.08382	4.4
71.04974	1.5
73.02917	2.1
77.27029	0.9
79.05495	19.6
80.05007	2.6
81.03411	2.3
81.05794	1.1
81.07059	22.9
82.06593	5.0
83.08610	2.6
84.04504	4.5
84.08150	6.9
85.02898	3.7
91.03988	1.7
91.05485	17.3
93.07054	19.3
94.06576	14.5
95.04961	3.0
95.07329	1.5
95.08617	17.5
96.08135	2.9
97.02892	3.7
97.06529	1.0
97.10179	1.5
105.07027	10.8
106.06577	2.4
107.08587	9.7
107.21330	1.1
108.08117	3.4
109.06528	1.5
109.10183	4.7
110.09665	1.8
112.07599	2.4
114.09178	1.4
117.07034	5.8
119.08600	7.7
120.08093	3.0
121.10117	5.7
122.09648	2.6
123.11681	1.2
124.11226	4.2
125.09607	1.1
129.07010	2.5
131.08568	5.9
133.10109	4.9
134.09642	2.0
135.11702	3.6
136.11212	1.7
143.08517	1.9
145.10167	4.6
146.09729	1.1
147.11696	3.5
152.10721	2.6
154.18758	0.9
157.10109	1.3
159.11743	3.2
161.13304	1.5
163.14560	0.8
164.14360	2.7
171.11671	1.5
173.13272	2.2
180.13820	1.4
185.13257	1.1
187.14793	1.2
191.83575	1.1
220.16965	2.0
236.16652	1.1
259.20844	1.0
260.02008	1.0
260.20026	1.4
300.23273	2.3
301.21494	1.4
318.24265	4.0
335.25797	12.0
336.25864	1.2
390.54630	0.9
392.27850	5.0
410.29050	2.2
457.05963	1.2
532.39801	3.1
572.43054	2.4
612.46289	1.2
635.46289	2.6
652.49597	8.2
670.50415	100.0
671.50696	7.4
740.00275	1.0
814.54395	1.5
832.41107	1.3
832.55646	16.8
833.54980	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.5074
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02650	0.5
61.02932	7.1
65.03935	0.4
67.05511	7.7
69.03439	3.5
69.07069	2.1
70.65378	0.8
70.65719	0.6
71.01360	0.5
71.04987	0.7
73.02921	4.7
75.43842	0.4
79.05492	5.0
81.03429	2.3
81.07060	6.7
83.04979	0.7
83.08621	1.0
85.02914	6.2
85.06586	0.4
87.04527	0.4
91.03956	3.2
91.05503	4.2
91.54823	0.3
92.22019	0.3
93.07054	5.7
95.04963	0.7
95.08609	4.8
97.02897	6.6
97.06538	0.5
97.10224	0.5
99.04482	1.2
101.02396	1.6
103.03922	0.4
105.07052	1.9
107.08604	2.6
109.02915	1.0
109.06547	0.4
109.10157	1.6
111.08111	0.4
115.03972	0.3
117.07048	0.8
119.08598	1.9
121.10155	2.1
123.08054	0.4
123.11701	0.5
127.03929	1.4
131.08615	1.3
133.10164	0.7
135.11722	1.3
145.04997	0.6
145.10139	0.5
147.11734	0.6
159.11765	0.6
160.14870	0.3
173.13278	0.3
185.04222	0.7
203.05374	0.5
243.08394	2.7
333.20398	3.2
335.25821	0.6
413.17685	0.3
439.19360	0.4
519.29346	8.4
551.28290	3.4
656.87244	0.4
724.89392	0.4
829.50726	100.0
830.50763	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	829.5072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72965	0.3
61.02927	5.1
65.03957	0.5
66.87238	0.3
67.05507	5.3
67.47531	0.4
68.87067	0.3
69.03432	2.9
69.07075	2.4
69.42227	2.8
70.45966	0.3
71.01356	0.3
71.05000	0.4
73.02921	3.6
73.83586	0.3
76.16373	0.3
79.05494	3.3
81.03425	1.9
81.07058	4.7
83.04960	0.7
83.08609	0.6
85.02909	5.0
87.04446	0.4
91.03944	3.0
91.05495	2.0
93.07040	3.7
95.08622	3.2
97.02894	4.8
97.10172	0.4
99.04496	1.1
101.02380	1.7
105.07027	2.3
107.08601	2.8
109.02894	0.9
109.10178	1.5
112.24415	0.4
115.03961	0.4
117.07022	0.7
119.08588	1.1
121.10136	1.8
122.64542	0.4
127.03935	1.6
128.21059	0.4
131.08578	0.8
133.10136	0.7
135.11736	0.7
145.04956	0.7
145.10193	0.5
149.13275	0.5
159.11694	0.7
164.47559	0.4
173.13338	0.5
185.04250	0.6
237.26024	0.3
243.08368	2.0
301.08707	0.5
315.10364	0.5
315.54324	0.4
333.20541	2.1
335.25842	0.6
373.11255	0.6
519.29272	9.3
520.29761	0.6
551.28485	3.0
591.31226	0.6
829.50732	100.0
830.51038	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	829.5076
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02935	4.4
61.37283	0.3
65.03939	0.4
67.05506	5.1
69.03430	3.3
69.07076	2.8
70.78809	0.3
71.01358	0.6
71.05000	0.5
73.02922	3.7
73.55704	0.4
73.71152	0.3
79.05511	3.3
81.03439	1.9
81.07064	5.2
83.08657	0.7
85.02911	4.3
87.04446	0.4
91.03981	2.3
91.05456	1.8
93.07053	3.4
95.04995	0.4
95.08624	3.0
97.02905	3.9
97.06551	0.4
97.10158	0.7
99.04483	0.7
101.02380	1.9
105.04523	0.4
105.07040	1.9
107.08598	2.4
109.02911	0.6
109.10199	1.0
115.03909	0.6
117.07050	0.6
119.08608	1.2
121.10159	1.4
125.09714	0.4
127.03910	1.0
129.05504	0.4
131.08611	0.8
131.47493	0.3
132.43506	0.3
133.10159	0.7
135.11731	1.3
145.10132	0.7
147.11703	0.4
149.13310	0.6
161.13127	0.3
180.20441	0.3
185.04294	0.7
203.05460	0.3
243.08473	2.8
244.35359	0.3
288.15744	0.4
301.08990	0.6
304.15295	0.3
313.09146	0.4
315.10526	0.4
333.20490	1.5
335.26071	0.3
519.29327	8.3
551.28333	4.1
591.31177	0.6
634.72034	0.4
703.73181	0.4
829.50757	100.0
830.51086	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	829.4865
Annotation	Unknow
Peak:m/z	Relative Intensity
68.42817	1.9
71.49166	2.8
73.46070	2.1
107.37771	1.7
119.75112	2.1
128.51678	1.7
165.35321	1.8
183.87392	2.2
257.84763	2.0
551.25330	2.2
556.74005	2.5
576.33960	2.3
829.48718	100.0
830.49530	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	828.4745
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	4.9
67.05511	42.8
69.03423	3.7
69.07079	12.1
71.04996	1.8
77.54932	1.4
79.05491	32.1
79.05964	1.5
81.03394	1.8
81.06590	2.8
81.07059	44.0
83.04974	4.9
83.08622	12.5
85.06522	2.7
88.37489	1.5
91.05490	22.6
91.13847	1.5
93.03416	6.4
93.07050	33.8
95.04954	4.0
95.08611	24.6
97.06546	3.8
97.10180	21.9
98.21638	2.7
105.04537	1.6
105.07034	19.7
107.04940	9.0
107.08582	23.7
109.06523	3.2
109.10143	12.5
111.04443	3.2
111.08087	3.8
115.88456	1.6
117.07016	10.7
118.50889	1.8
119.08573	11.8
121.02900	7.2
121.06530	10.6
121.10145	14.8
125.02412	1.9
125.09646	18.1
129.07002	5.6
130.07779	2.3
131.04755	1.6
131.08601	11.3
133.06464	2.8
133.10118	6.5
135.04408	9.3
135.08058	12.2
135.11722	10.9
136.06325	1.6
136.08842	1.9
137.02371	2.2
137.09637	1.9
139.03958	2.5
141.07004	1.9
143.08557	2.2
145.06516	2.4
145.10135	22.9
147.04408	1.8
147.11685	7.9
149.02350	51.3
149.05942	3.4
149.09645	2.1
151.03827	2.2
153.09103	3.8
155.08591	10.9
157.06516	2.2
157.10091	2.3
159.11690	2.6
161.13319	2.2
163.03961	2.9
163.11211	6.6
171.10194	1.8
173.09644	21.5
173.13286	2.3
175.11191	2.9
177.05525	2.2
183.08066	9.3
185.09666	4.1
187.07579	1.7
189.11276	9.1
191.10678	8.0
198.82356	1.7
201.09122	23.4
211.07549	5.9
219.10167	35.6
229.08600	16.0
237.11234	2.9
243.21053	4.2
247.09692	16.9
251.12885	2.2
255.12302	12.8
261.11221	5.8
261.22144	11.6
265.10767	15.1
279.12286	13.5
283.11734	5.1
297.10135	3.4
297.13345	51.3
317.13419	1.7
317.24695	3.6
317.90927	1.7
335.25812	100.0
336.26129	3.2
371.17026	96.4
562.59723	1.6
631.38367	87.6
632.38721	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	828.4742
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03953	5.3
67.05506	42.5
68.99790	1.2
69.03425	2.3
69.07070	9.0
69.59406	6.4
70.44676	0.9
71.05008	1.1
78.58881	1.1
79.05495	30.4
81.03425	1.6
81.07057	37.0
83.01328	1.1
83.04979	2.6
83.08617	9.3
83.26167	0.9
85.02902	1.4
85.06525	1.0
85.61752	0.9
91.05485	18.9
93.03393	3.3
93.07050	30.8
95.04970	3.8
95.08608	27.7
97.06528	2.6
97.10167	13.5
103.05444	1.4
105.07028	15.0
107.04945	6.5
107.08602	19.6
109.06551	3.1
109.10159	12.4
110.01215	1.2
111.04440	1.3
111.08085	1.9
115.05428	1.7
117.06998	8.8
119.08587	11.7
121.02849	5.4
121.06502	8.2
121.10154	10.4
123.00802	2.3
123.04446	1.5
123.08106	1.1
123.11708	3.0
125.02345	1.1
125.09630	9.9
127.03907	1.3
129.06993	4.6
130.07779	1.0
131.08565	10.4
133.10138	6.0
135.04446	4.5
135.08070	7.6
135.11682	9.4
137.02342	1.1
137.13211	1.1
139.03915	2.3
142.07846	1.1
143.08560	1.3
145.06487	1.4
145.10130	16.0
147.08040	1.4
147.11716	5.4
149.02350	38.0
149.05969	2.2
149.09592	2.1
149.13269	3.0
150.02664	1.5
151.03922	1.9
153.06976	1.1
153.09132	2.2
155.08551	7.9
157.10103	2.8
159.04405	1.3
159.08043	1.6
159.11661	2.8
161.13315	2.6
163.03935	2.5
163.07553	1.2
163.11191	4.4
163.14833	1.9
171.11708	1.0
173.09628	16.9
173.13300	2.5
175.11201	2.0
177.05458	1.9
183.08095	5.8
185.09628	2.2
187.07608	2.4
189.11212	5.8
191.10655	7.0
193.04973	1.6
201.09119	17.1
211.07570	3.2
219.10162	24.9
229.08606	13.8
237.11191	2.2
243.10252	2.0
243.21165	2.9
247.09674	11.1
255.12245	8.2
261.11316	1.9
261.22131	11.4
265.10709	8.7
279.12357	6.7
283.11789	2.3
297.13361	27.8
317.24731	2.6
335.25818	100.0
336.26114	3.1
353.16037	1.2
371.17001	56.3
372.16953	1.3
557.34485	1.8
631.38428	78.9
632.38971	5.2
686.73010	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4916
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	5.0
67.05513	6.5
69.03433	3.9
69.07068	2.5
69.54577	3.7
71.04968	0.7
73.02934	3.5
79.05501	4.6
81.03437	1.6
81.07054	5.9
82.16133	0.5
83.04968	0.8
85.02917	4.7
91.03963	3.1
91.05476	2.8
93.07050	4.3
95.05002	0.6
95.08612	4.6
97.02908	4.4
97.06568	0.7
99.04463	0.8
101.02401	1.4
101.05471	0.5
105.07043	2.3
107.08624	2.3
109.02922	0.8
109.10178	2.0
115.26316	0.6
117.07024	0.6
119.08623	1.0
121.10153	1.5
127.03902	1.4
131.08597	1.2
133.10152	1.1
145.10155	0.8
165.12759	0.6
186.50215	0.5
227.12930	0.9
228.97983	0.6
243.08517	2.2
272.32507	0.6
280.92230	0.6
291.19601	0.6
331.18973	1.1
335.25742	1.1
519.29205	9.5
526.63641	0.7
549.26965	2.2
827.49200	100.0
828.49353	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	8.7
67.05495	4.4
69.03430	4.4
69.07056	1.0
69.79307	2.6
69.79723	3.0
70.06591	2.2
71.01382	1.2
71.04956	1.4
72.08170	1.2
73.02917	5.1
79.05510	3.7
81.03433	1.8
81.07073	7.3
85.02914	6.9
91.03972	4.9
91.05474	2.9
93.07047	5.1
95.08636	1.8
97.02917	6.6
97.03432	1.1
97.06526	1.5
99.04500	2.2
101.02378	2.9
105.07043	1.8
107.08588	2.2
107.48353	1.0
109.02878	1.7
119.08631	1.3
121.10204	0.9
127.03953	4.0
130.39531	0.9
131.08572	1.7
133.10141	1.2
135.11766	1.3
141.75955	1.1
149.13289	2.4
159.11708	1.4
185.04245	1.0
195.13911	1.4
224.04718	1.0
235.13132	2.2
243.08539	2.1
269.17563	1.6
292.93430	1.0
297.06140	1.0
340.13803	1.0
347.09442	5.3
404.28482	1.0
405.13602	7.6
453.20929	18.7
453.26605	1.3
615.26410	18.2
624.37970	1.0
635.88190	1.1
665.35242	4.0
727.84558	1.1
827.40369	100.0
828.40369	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	826.5672
Annotation	Unknow
Peak:m/z	Relative Intensity
61.56154	4.0
65.34473	4.8
67.05180	7.3
67.05509	94.7
69.03418	9.4
69.07072	42.8
71.47985	5.6
71.48453	5.4
79.05498	54.1
81.03426	6.1
81.06599	7.7
81.07060	100.0
83.04976	9.6
83.08601	13.7
85.02877	5.3
85.06544	7.2
85.54089	4.7
91.05485	38.5
93.07066	40.0
95.04974	9.7
95.08613	58.1
97.02890	9.6
97.06512	6.3
97.10153	11.7
105.07018	29.9
107.08590	25.4
109.10162	26.1
117.07030	12.4
119.08598	23.4
121.10159	21.3
123.08096	7.4
123.11752	12.1
125.09673	4.4
131.08592	17.1
133.10109	21.2
134.32565	4.6
135.11687	17.3
145.10085	14.1
147.11691	13.9
149.09595	6.2
149.13257	12.4
149.84558	5.2
157.10158	6.5
159.11664	6.5
161.64264	4.2
163.11223	5.4
189.16689	4.7
194.36206	4.5
195.13892	6.6
218.72406	4.6
255.15924	12.5
269.17520	29.2
275.20038	20.0
337.27399	92.6
349.23767	13.2
517.38916	16.7
531.40479	70.5
557.05261	5.7
571.44122	6.3
611.46539	20.9
612.45618	6.4
627.99670	5.7
629.47858	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	826.5677
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	96.9
69.03418	9.2
69.07076	38.8
69.14703	22.4
69.15133	13.6
71.04974	8.7
71.08614	3.9
75.98689	3.1
77.03893	3.2
79.05074	4.8
79.05492	56.4
81.03402	11.2
81.07060	100.0
82.93530	3.3
83.04974	7.9
83.08623	28.0
85.02901	6.0
85.06525	4.7
91.05482	45.3
93.07050	57.5
95.04979	8.1
95.08613	59.4
96.08924	3.7
97.06516	10.8
97.10162	19.7
99.04440	5.4
99.08096	5.6
105.07040	38.0
105.07700	5.1
107.04954	5.2
107.08595	43.8
109.02863	3.1
109.06520	3.9
109.10152	33.2
111.08051	4.2
117.06995	9.9
119.08594	24.7
121.10167	17.6
123.11703	9.6
124.79408	3.7
125.09684	8.6
129.07019	6.0
131.08560	15.8
133.10120	28.3
133.76443	3.4
135.08038	4.3
135.11703	15.9
145.10100	19.3
147.11655	14.1
149.09615	9.8
149.13206	10.2
151.11171	4.7
157.10149	5.5
159.11711	16.9
161.13219	11.8
163.11186	7.1
171.11783	4.5
173.13290	6.1
175.14809	8.4
177.12692	4.5
179.14281	4.4
189.11221	8.3
192.96675	3.3
195.13789	4.5
214.23210	4.7
227.12770	25.9
229.14192	5.8
257.19043	6.9
261.22217	5.7
263.23828	5.8
269.17499	21.6
275.20050	28.7
277.21548	4.6
290.42154	3.8
293.21017	4.5
335.25827	32.2
337.27356	63.2
349.23801	25.3
351.25085	5.8
354.58716	3.3
434.10315	3.9
489.35852	4.7
491.36838	4.3
497.28583	3.7
507.37030	6.2
529.38757	35.1
530.39197	4.2
531.39777	6.4
611.46692	48.1
629.47961	6.4
827.48358	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	826.5155
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62792	0.8
59.04991	2.7
61.02935	9.4
65.03947	1.1
67.05508	58.9
69.03421	2.8
69.07075	5.5
69.23294	8.7
71.04999	2.0
71.08638	16.4
73.02896	2.9
77.45177	0.9
79.05470	1.2
81.03413	1.3
81.07059	14.7
83.08620	8.8
85.02907	11.3
85.06545	1.7
85.10187	9.4
91.03448	1.2
91.03952	7.4
91.05479	2.6
93.07030	2.1
95.08611	13.3
97.02896	5.5
97.10162	3.3
107.08595	2.4
109.10159	62.8
111.08067	1.5
115.03902	1.0
119.08575	3.6
123.11691	2.1
123.85609	0.9
127.03918	2.5
137.09593	2.1
142.51515	0.8
145.04944	3.3
155.10617	5.4
163.06041	3.2
173.11736	15.9
192.74509	0.8
229.14359	100.0
230.14638	1.3
239.23674	2.0
257.24664	2.0
313.27377	80.3
314.27664	2.2
441.89484	0.9
467.37350	64.2
468.37604	3.6
478.17792	1.0
571.26099	1.0
636.15344	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5515
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	2.4
65.03928	5.1
67.05508	74.9
69.03434	6.4
69.07072	25.9
70.08412	1.2
70.60858	3.3
71.04981	5.5
72.40601	1.2
73.02924	2.0
79.05493	61.0
81.03423	7.5
81.07057	77.0
83.04977	8.5
83.08621	10.2
85.02897	4.4
85.06530	2.6
91.05485	43.1
93.03302	1.2
93.07045	65.7
95.04971	9.6
95.08611	50.3
96.40207	1.3
97.02856	3.8
97.06523	10.8
97.10136	6.0
99.04443	1.9
99.08081	3.5
103.05503	1.2
105.04494	2.5
105.07043	29.8
107.04953	3.2
107.08592	36.1
107.38077	1.4
109.02839	2.2
109.06522	5.1
109.10153	16.2
111.04456	1.3
111.08055	4.7
115.05442	1.6
117.06334	1.6
117.07030	15.2
119.08576	19.7
121.06491	3.2
121.10135	20.4
122.70785	1.2
123.08054	3.5
123.11683	6.6
125.09615	3.7
127.03912	2.9
128.06201	1.8
129.05510	1.4
129.06985	3.2
131.08566	17.3
133.10124	16.8
135.08031	3.5
135.11690	17.8
137.09618	2.0
139.11241	1.5
141.06979	1.6
143.08546	5.2
145.10127	13.6
147.11690	10.7
149.09642	6.7
149.13249	7.6
155.08566	3.0
157.10143	2.9
159.11673	13.4
161.13243	5.5
163.11174	5.9
163.14838	2.6
169.10168	2.9
171.11679	3.3
173.04486	2.9
173.11845	2.1
173.13248	6.7
177.12726	2.2
179.14259	1.6
181.12210	1.3
183.11705	2.4
185.13222	2.7
187.14771	3.2
195.11835	1.5
195.13785	5.0
199.14774	2.7
201.16415	1.6
227.12721	3.4
229.14319	3.1
241.19754	1.4
243.21078	2.6
255.15930	5.5
257.18948	4.1
259.20499	2.3
261.22171	10.5
267.16016	1.8
269.17465	19.2
275.20044	22.2
293.21097	2.2
309.20718	1.5
317.24832	2.3
331.22812	1.7
333.24423	1.6
335.25806	100.0
336.26044	2.2
349.23779	19.7
367.24945	2.9
413.21396	1.6
423.32855	1.7
430.33804	1.6
447.89737	1.2
489.35757	3.7
505.35110	1.7
515.37415	19.3
529.38928	56.8
530.38983	2.9
569.41840	4.2
609.36536	1.0
609.45129	24.0
627.46112	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	822.5364
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	10.0
59.04990	1.6
62.75859	0.9
65.03934	2.8
67.05511	64.7
69.03445	9.5
69.07075	36.7
69.63075	6.1
70.06585	1.7
71.04984	2.9
75.38522	1.1
79.05499	54.7
81.03432	6.4
81.07064	58.1
83.04964	4.6
83.08632	13.4
85.02922	2.0
85.06561	1.4
91.03876	1.1
91.05490	29.3
91.80492	0.9
93.07054	43.6
93.07644	2.1
93.34968	0.9
95.01351	1.0
95.04964	8.1
95.08617	38.0
97.02896	10.1
97.06525	3.9
97.10181	13.5
98.21586	1.7
103.05473	1.1
104.80180	0.9
105.04520	2.4
105.07037	24.9
106.79527	1.1
107.04955	7.7
107.08607	26.0
109.02923	1.4
109.06527	4.4
109.10162	20.3
111.08070	2.7
115.05449	2.2
115.83266	1.0
117.07037	10.1
119.04974	1.3
119.07810	1.6
119.08587	17.8
121.06509	3.1
121.10145	15.0
123.08049	4.0
123.11709	4.1
125.09637	9.4
128.06216	1.0
129.07008	4.9
131.08583	12.0
133.06487	3.6
133.10158	10.5
134.07259	1.6
135.08023	4.7
135.11697	8.1
137.09593	3.4
143.08568	2.6
145.10136	9.1
147.08080	6.5
147.11700	6.2
149.09665	2.3
149.13283	5.0
153.09178	1.1
157.10069	2.5
159.11626	4.8
161.09642	2.9
161.13298	2.5
163.11154	1.9
163.14934	2.3
165.09128	1.8
169.10207	1.2
171.10118	1.5
171.11710	1.6
173.13301	2.7
175.11148	1.9
175.14771	1.4
176.42473	1.1
177.12863	1.4
189.11218	3.2
190.52510	1.2
191.77983	1.0
193.12297	1.3
195.13760	1.4
205.12190	2.6
211.13336	1.0
223.13309	21.4
227.12880	2.5
233.23033	1.1
243.21077	2.9
249.14958	3.1
255.17447	1.3
261.22128	8.4
267.15985	1.2
273.18497	13.0
291.19571	100.0
292.19806	2.3
317.24759	4.0
335.25836	85.2
336.26337	2.6
347.22073	2.1
365.23251	43.3
366.23398	1.5
395.75311	1.3
545.38306	3.9
607.43549	2.0
625.44690	80.1
626.44635	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	822.4485
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.1
57.07063	0.5
57.93243	0.4
61.02932	4.9
64.65412	0.5
65.03946	0.9
67.05508	21.2
69.03420	1.8
69.07072	6.3
69.83730	2.7
71.04984	1.7
71.32331	0.4
73.02913	1.6
79.05497	13.5
81.03419	2.2
81.07061	29.5
82.07397	0.7
83.04981	2.2
83.08626	6.4
85.02906	5.8
85.06536	1.5
91.03973	3.2
91.05481	9.8
93.07048	21.7
95.04956	1.7
95.08616	8.5
97.02895	3.5
97.06544	4.0
97.10193	1.1
99.08112	0.8
105.07037	5.1
107.04957	0.7
107.08611	13.5
109.06518	1.2
109.10161	1.9
111.08092	3.1
117.07036	4.0
118.15757	0.4
119.08593	3.0
121.06503	1.0
121.10153	7.1
123.11703	2.6
125.09634	0.5
127.03914	1.3
129.07022	1.5
131.08565	6.7
133.10133	6.5
135.08078	1.3
135.11714	5.4
143.08563	1.0
145.04956	1.1
145.10136	1.4
147.11691	1.2
149.09592	0.7
149.13272	9.9
151.11191	0.8
155.08594	0.6
157.10135	1.0
159.11661	5.4
163.06049	2.0
169.10130	0.7
171.11732	0.7
173.55379	0.5
177.12773	2.1
183.11810	0.9
195.11905	0.8
195.13826	5.6
199.14793	0.6
211.14851	0.5
213.14951	1.0
251.16496	1.5
269.17487	21.9
335.23856	0.7
353.24811	1.2
371.25778	1.8
389.26892	1.1
413.21933	0.9
427.28604	0.8
433.85016	0.5
445.29532	13.7
446.29688	0.6
463.30573	100.0
464.30762	4.7
481.31543	1.1
589.34302	0.6
599.80475	0.6
607.34619	6.2
841.28864	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03203	1.3
57.03445	18.3
61.02930	71.1
65.03930	1.7
66.44051	1.1
67.05508	30.6
69.03096	1.6
69.03434	26.9
69.07078	6.7
70.06586	1.6
71.01334	2.8
71.04984	4.7
73.02927	21.6
74.03167	1.2
75.04426	1.2
76.58140	1.1
79.05499	22.6
81.02991	1.9
81.03425	24.7
81.06595	1.7
81.07060	29.7
83.01317	2.1
83.04963	4.4
83.08613	5.0
85.02910	100.0
87.04449	4.0
88.07629	1.1
91.03960	56.3
91.05485	15.6
93.07043	23.1
95.04964	3.4
95.08067	1.9
95.08611	25.1
97.02895	73.5
97.06529	2.2
98.03208	1.1
99.04462	12.4
100.91692	1.1
101.02354	4.1
103.03956	10.0
105.04514	1.4
105.07032	12.2
107.04943	1.3
107.08593	12.4
109.02883	12.6
109.06528	1.2
109.10156	10.7
111.04431	4.1
113.04180	1.1
115.03912	7.7
117.05489	3.1
117.07005	4.1
119.08592	6.8
121.10158	13.3
123.04458	1.2
123.11721	6.6
127.03928	37.4
128.04201	1.5
129.05475	4.8
129.07014	1.8
131.08598	8.2
133.10104	8.2
135.11710	8.7
141.05479	1.5
143.08568	2.0
145.04968	29.4
145.10121	7.8
146.08142	1.4
147.11681	5.3
149.02318	2.4
149.13252	7.0
155.07123	1.3
157.10143	1.9
159.06529	2.7
159.11699	6.4
161.13196	3.5
163.06032	19.5
163.14871	2.6
167.08534	1.5
171.06497	1.5
171.11681	2.4
173.13264	5.9
175.14822	2.6
175.20923	1.2
177.16391	2.0
183.06557	8.5
183.08002	1.9
183.11665	1.3
185.13297	1.6
187.14737	2.7
193.04893	1.7
195.11688	1.4
199.14851	2.6
201.07605	6.0
201.16374	1.4
228.90979	1.3
243.21141	5.2
259.20563	2.5
261.22156	15.7
285.22070	2.2
303.23236	3.4
315.23123	2.1
317.24875	1.4
335.25827	54.9
345.23962	2.4
351.23114	2.4
353.26746	1.7
363.25204	3.8
369.24188	3.9
377.26654	3.4
405.26474	1.8
419.27753	1.9
443.28125	5.9
461.28952	5.4
479.30023	8.5
497.30960	3.5
530.58478	1.3
729.38818	1.4
771.51385	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5928
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05510	41.6
69.07063	7.3
79.05490	24.6
81.07071	48.7
83.08578	8.5
91.05453	19.9
93.07040	22.9
95.08607	35.9
105.07056	11.1
107.08625	8.8
109.10152	10.0
119.08602	12.8
119.93544	5.9
121.10169	13.1
131.08600	7.5
133.10144	14.2
135.11694	12.7
147.11671	11.3
261.22208	10.9
335.25845	100.0
336.26016	20.7
337.26794	11.6
595.47015	8.3
611.41315	7.2
613.48022	8.8
828.35413	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	820.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	4.8
61.02919	9.4
65.02072	2.6
67.05508	16.0
69.03435	7.0
69.07059	9.1
69.26352	18.4
69.26755	5.9
70.06597	29.5
71.05016	4.0
72.08141	4.8
79.05472	14.3
81.07074	20.8
83.04969	3.3
83.08614	8.5
85.02892	11.9
86.06063	8.1
86.09704	28.2
91.03957	5.5
91.05502	21.7
91.48264	3.5
93.07050	20.6
95.04968	5.8
95.08608	12.5
97.02889	4.6
97.06564	5.8
97.10155	3.3
105.07041	20.7
107.04993	4.0
107.08599	2.7
109.06515	3.6
109.10160	9.0
114.05540	4.0
117.07017	13.7
119.08587	9.7
120.08064	4.0
121.10145	5.9
125.09599	6.9
127.03840	5.2
129.07010	16.8
131.08591	20.6
133.06505	4.8
133.10147	6.3
135.07996	3.3
135.11673	4.1
141.06981	6.0
142.04988	3.1
143.08571	9.3
145.06516	3.3
145.10153	10.3
155.08540	8.7
157.10118	10.4
159.11697	5.8
167.08635	3.5
169.10107	8.6
171.11717	5.6
173.13298	4.7
181.10107	6.0
183.11667	3.8
185.13176	4.6
193.10175	4.5
195.11591	3.6
199.14716	7.2
209.13281	4.8
211.10947	4.6
211.14523	3.5
215.61957	2.9
221.13306	3.1
271.16946	4.2
324.19269	4.0
341.24976	5.8
351.23181	8.3
369.24194	12.2
387.25391	6.1
443.27951	100.0
444.28531	6.5
461.28955	84.2
821.33441	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	818.5775
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	4.5
67.05507	29.4
69.07067	7.1
71.19961	2.7
73.36489	3.0
79.05491	15.7
80.27017	2.3
81.07060	31.2
83.05006	2.9
83.08610	7.0
91.05467	7.2
93.07048	19.8
95.08617	29.2
97.10172	3.9
98.58639	2.7
105.07027	10.8
107.08597	13.7
109.10166	12.5
117.07038	3.6
119.08582	7.5
121.10154	17.8
123.11687	4.5
131.08574	5.8
133.10170	6.2
135.11700	10.4
137.13249	2.5
145.10101	4.1
147.11710	5.2
149.13275	5.4
159.11697	7.6
161.13239	6.7
163.14832	6.2
163.18086	2.5
173.13307	6.3
175.06140	2.8
175.14871	3.5
187.14871	3.1
201.16281	3.0
241.19296	2.7
243.20981	5.8
259.20755	4.9
261.22214	18.5
317.24612	5.0
333.24185	4.0
335.25818	100.0
337.27368	10.5
367.78479	2.4
377.06326	2.5
474.97202	2.8
521.43091	3.1
595.47369	15.4
613.48273	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	813.4913
Annotation	Unknow
Peak:m/z	Relative Intensity
71.26365	3.1
78.93294	1.7
147.08313	1.7
154.40897	1.9
173.59944	1.7
259.90079	1.9
266.17203	1.9
271.19485	2.0
315.33722	1.8
813.49170	100.0
814.49084	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	810.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84676	0.4
63.85767	0.4
69.65105	1.6
69.65539	1.5
94.63754	0.4
128.03423	0.5
130.31783	0.4
133.51122	0.4
134.60889	0.5
147.38654	0.5
182.00809	0.6
197.10889	0.6
209.10762	0.8
249.10243	0.8
310.13467	0.5
312.14685	0.6
340.14401	0.8
363.16040	1.7
364.17026	1.5
376.17108	0.6
377.17621	3.4
378.18445	2.7
379.19092	4.6
386.14462	0.5
387.15964	0.6
388.16171	0.5
389.17856	0.6
390.18216	1.0
391.19260	3.9
392.20166	2.9
393.20798	10.5
394.20963	0.6
401.17639	1.1
402.18607	0.9
403.19284	0.5
404.20166	0.7
405.20996	2.9
406.21667	1.4
407.22366	11.3
408.16019	0.6
408.22400	0.6
410.18683	0.8
414.18463	0.8
415.19308	1.2
416.19476	0.8
417.21243	1.2
419.18619	2.0
419.23080	1.1
420.18851	0.7
422.17758	1.2
423.18460	2.7
428.20004	0.6
429.21341	0.7
433.20328	2.1
434.21204	2.2
435.21750	2.8
437.19717	9.5
447.21790	1.8
448.22992	0.8
449.19788	0.6
451.21313	3.0
456.18658	0.6
457.19247	0.5
458.19495	0.6
459.17874	0.6
460.21725	1.3
462.24686	0.6
463.19574	0.6
463.25192	9.1
465.19293	1.8
473.19922	1.4
474.20627	1.5
475.21317	0.9
476.21210	0.5
479.24625	1.3
486.19714	0.7
487.20651	0.9
488.21411	1.1
489.23465	4.1
491.25220	2.1
495.27582	5.4
499.20911	0.7
500.21194	0.7
501.19446	0.9
503.20535	0.6
504.20352	1.0
505.18280	1.1
510.23328	0.8
514.21405	0.5
515.20929	3.5
516.21088	1.8
517.22540	7.5
518.22076	1.1
519.23633	0.9
520.24463	0.6
521.25751	5.7
523.27051	2.1
535.19812	0.6
537.25317	0.6
539.26605	15.2
540.27386	0.9
547.23596	2.0
549.25024	16.3
550.22089	2.3
559.23340	1.2
560.24158	0.8
565.24463	4.4
566.24908	0.9
567.26062	100.0
568.26489	5.8
574.24347	2.8
575.22845	2.3
603.22583	0.7
604.23083	1.6
607.25616	1.2
635.25061	19.1
636.25696	10.1
637.26422	1.7
650.25055	0.7
690.25507	0.6
706.28357	1.7
732.25739	0.6
733.26593	1.3
734.27997	2.0
750.27783	2.1
760.26318	0.7
778.27539	2.6
792.28894	8.7
810.29352	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03160	1.0
57.03440	17.7
57.07080	1.9
61.02917	3.2
63.09740	1.0
65.03941	3.8
67.05508	80.5
69.03424	2.4
69.07072	20.6
69.72446	1.4
69.72858	3.8
71.04992	3.1
71.08620	1.1
73.02867	0.9
79.05498	60.4
81.03413	3.8
81.07059	71.7
83.04964	3.1
83.08626	9.2
85.02899	3.3
85.06532	3.6
91.05486	50.9
93.07049	67.8
95.04967	5.5
95.08610	56.2
97.02897	3.9
97.06541	4.6
97.10190	3.9
99.08081	2.1
103.05445	1.1
105.04527	2.3
105.07037	38.6
107.00194	0.9
107.08604	37.4
109.06522	4.2
109.10161	20.5
111.08104	3.5
113.09661	1.1
115.05437	1.5
117.07030	13.2
119.08590	29.8
121.10155	30.1
123.08064	3.1
123.11730	7.2
125.09635	1.9
128.06232	1.2
129.07013	4.8
131.08577	22.0
133.06471	0.9
133.10139	23.3
135.11699	17.7
137.09596	1.5
139.11087	1.5
143.08595	6.0
145.10135	15.9
147.11707	18.1
149.09578	1.2
149.13272	9.4
150.34456	0.9
151.11244	1.4
157.10124	4.3
159.11690	13.5
161.13295	8.5
163.11208	1.7
163.14847	3.2
171.11745	5.0
173.13263	8.6
175.14832	4.3
177.12801	1.0
177.16481	1.2
185.13237	5.1
187.14865	7.1
191.14291	1.3
199.14832	3.0
201.16348	2.2
205.15886	2.5
213.16464	1.5
214.14714	0.9
221.18936	1.0
231.21011	1.3
235.37308	1.0
241.19563	7.0
243.21118	2.0
257.19107	1.6
259.20581	17.7
261.22159	6.8
277.21637	12.1
293.21097	2.3
313.21246	1.0
315.23172	2.2
333.24252	12.9
335.25821	100.0
336.26044	2.7
337.27411	2.1
351.25305	24.8
352.25925	1.1
529.38678	3.7
553.72076	0.9
593.45624	1.8
611.46790	27.1
612.46930	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5567
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34552	4.2
56.35238	4.4
57.03429	18.3
65.03934	7.8
67.05509	100.0
69.07080	27.3
72.93330	4.6
79.04533	4.4
79.05502	75.6
81.06599	5.5
81.07062	85.4
83.05000	6.7
83.08617	11.4
85.02847	4.6
85.06532	5.0
91.05489	83.2
93.07044	91.0
93.07576	8.6
95.04988	7.9
95.08607	63.8
98.21529	10.8
105.07040	74.2
107.08598	50.1
109.10136	27.9
117.07024	28.1
119.07833	6.1
119.08597	64.9
121.10160	40.3
129.06975	8.6
131.08543	32.9
133.10127	56.8
135.11658	31.3
137.70813	4.6
143.08549	13.0
145.10126	29.2
146.98050	4.5
147.11697	36.1
149.13266	18.8
157.10136	11.1
159.11697	35.6
161.13243	29.4
163.14798	10.4
171.11728	10.8
173.13278	18.7
175.14816	12.0
177.12827	5.5
185.13290	12.3
187.14758	7.3
199.14883	8.0
205.76195	5.1
231.21075	7.1
241.19511	21.6
243.20967	7.9
257.19046	11.3
259.20587	66.5
261.22144	10.5
275.19788	4.9
307.74954	5.2
315.23227	7.7
317.09204	4.7
333.24258	59.2
335.25778	79.7
593.45551	10.8
611.39374	4.6
611.46851	46.8
737.51007	6.2
808.30408	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	808.4539
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82822	0.5
57.03438	0.9
57.07084	1.0
59.04999	1.5
61.02923	0.9
67.05507	5.9
68.99800	0.9
69.03439	6.2
69.07073	89.5
69.71024	4.0
70.06601	1.2
71.05006	1.6
73.02919	1.1
73.06556	4.4
79.05510	1.2
81.03427	6.6
81.07059	10.1
83.04995	0.6
83.08647	1.6
84.08185	0.9
85.02914	9.8
85.06533	0.9
86.09729	0.7
87.00848	3.4
87.04479	9.8
89.06038	100.0
90.06390	0.8
93.07063	1.1
94.94856	0.6
95.08612	8.9
97.02885	3.0
99.04458	2.1
105.01853	1.8
107.07097	1.9
107.08592	1.0
109.02877	4.1
109.10150	2.3
111.11730	38.3
117.09138	4.8
120.08094	0.6
121.06477	1.9
127.03944	4.1
129.01857	0.9
131.07040	2.4
133.08614	59.1
135.11696	1.4
137.05980	1.1
137.13222	4.0
151.09621	1.3
153.12782	0.7
155.14305	2.3
159.02872	1.4
161.11751	1.5
175.09630	0.9
177.11244	30.4
181.04893	0.7
195.12286	0.8
199.16969	6.3
221.13876	9.2
223.15350	1.0
239.14839	1.6
243.19569	11.7
265.16498	3.9
283.17551	3.5
287.22141	1.0
309.18906	2.8
315.05026	5.5
327.19980	2.1
349.25955	0.7
351.67154	0.7
353.97931	0.7
364.24673	1.3
371.22610	2.4
383.11166	5.6
393.28259	1.1
397.24051	0.7
415.25391	11.8
437.30835	1.8
481.33350	2.8
525.36389	49.1
526.35962	1.9
543.37366	4.9
564.51080	0.7
580.94861	0.8
631.71600	0.7
705.50665	0.8
808.42694	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.5778
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	6.2
61.02924	2.8
66.32227	1.7
67.05506	32.9
69.07069	10.6
69.38628	7.0
69.39048	4.5
73.02904	1.6
76.89433	1.4
79.05492	20.5
81.07059	33.6
83.04986	1.6
83.08627	4.5
85.02895	4.6
91.03959	2.1
91.05483	11.8
93.07044	24.9
95.08611	27.3
97.02898	2.0
104.18369	1.7
104.73297	1.6
105.04525	1.7
105.07033	10.6
107.08604	14.1
109.10153	14.3
117.06994	3.1
119.08586	7.2
121.10133	9.7
123.11684	2.7
131.08575	6.3
133.10147	7.8
135.11685	8.5
137.09682	1.6
137.13307	2.1
145.10149	5.3
147.11684	7.1
149.13231	4.6
159.11731	5.9
161.13278	6.5
163.14825	3.6
173.13347	3.4
175.14806	2.4
187.14893	3.4
212.43430	1.5
243.21112	3.4
259.20624	2.7
260.02750	1.6
261.22134	15.1
317.24799	3.4
333.24265	3.5
335.25815	100.0
336.26379	2.7
337.27237	3.3
595.47107	13.2
607.92035	1.9
613.48108	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5097
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	17.6
64.99936	2.8
65.03939	5.0
67.05508	66.8
69.07062	11.0
71.48254	3.3
71.48629	4.4
79.05500	41.5
81.07061	50.7
82.34676	3.1
83.08615	6.3
85.06526	11.2
89.06018	5.0
91.05492	35.7
93.07047	40.0
95.04966	47.3
95.08620	27.2
97.06497	5.4
105.07053	20.1
107.04949	9.8
107.08619	20.4
109.06520	56.8
109.10162	8.8
111.07998	3.7
113.06023	25.6
117.07027	13.4
119.08562	14.1
121.10146	11.9
123.11652	4.0
129.06989	9.0
131.08563	12.0
133.08600	4.3
133.10097	11.7
135.08072	34.3
135.11684	8.1
143.08571	6.1
145.10104	9.8
147.08057	4.9
149.09639	4.6
157.10109	5.9
159.08061	4.3
159.11674	7.7
161.09633	9.9
163.11227	5.8
175.11177	3.7
185.81253	3.5
187.70059	3.0
217.15868	9.4
268.24783	4.1
273.18457	34.9
275.19861	3.6
288.10822	3.5
291.19559	100.0
335.25839	45.5
347.22070	9.7
365.23190	19.0
581.24371	3.2
607.43628	15.0
625.44519	51.6
626.44641	6.1
825.25513	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	799.5336
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.1
61.02699	0.5
61.02942	5.8
67.05515	6.3
69.03442	4.1
69.07068	2.4
69.79661	2.4
73.02933	5.3
79.05504	3.3
81.03432	1.2
81.07066	7.2
83.08630	1.4
83.39758	0.5
85.02916	5.4
87.04460	0.8
91.03959	3.8
91.05487	2.3
93.07053	2.7
95.04971	0.6
95.08618	3.8
97.02911	4.4
99.04475	0.9
101.02412	1.2
105.07047	1.3
107.08632	1.6
109.02867	1.0
109.10186	2.2
119.08567	1.1
121.10168	2.2
127.03972	1.3
133.10089	0.8
135.11792	0.9
147.11681	0.8
185.04231	0.6
203.05492	0.5
228.08229	0.6
243.08485	2.0
286.26926	0.6
301.96796	0.7
334.53201	0.7
335.25964	0.7
347.26428	0.7
481.83957	0.6
519.29456	6.9
521.30829	4.6
761.75775	0.6
799.53375	100.0
800.53833	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.517
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.0
59.38925	0.3
61.02928	7.0
65.66475	0.3
67.05505	7.2
69.03429	4.4
69.07077	1.5
69.16819	4.1
71.04987	0.7
73.02915	5.1
73.04227	0.4
74.30763	0.4
79.05491	4.5
81.03420	1.7
81.07058	6.9
83.08616	0.5
85.02901	6.0
91.03967	3.9
91.05486	2.5
93.07041	5.5
95.05039	0.5
95.08607	4.3
97.02890	6.3
99.04460	0.7
101.02402	1.6
103.03956	0.6
105.07018	2.0
107.08626	2.1
109.02916	1.2
109.10192	1.6
117.07008	0.6
119.08618	1.0
121.10134	2.0
123.11683	0.6
127.03945	1.6
131.08606	0.8
133.10199	1.0
135.11720	1.1
147.11687	0.6
149.13261	0.7
173.13237	0.4
185.04314	0.9
227.96371	0.5
243.08472	1.3
249.21263	0.4
288.74405	0.4
332.26529	0.4
495.97116	0.5
519.29297	13.2
797.51715	100.0
798.52179	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	797.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
86.76418	1.0
156.22710	1.1
363.16312	1.9
377.17624	2.3
378.18668	1.8
390.18512	1.5
391.19241	3.4
392.19974	3.1
393.20834	2.2
404.19949	2.1
405.20609	3.2
406.21964	1.8
407.22351	13.2
408.23068	1.3
419.22363	4.6
420.23468	1.6
421.23953	5.0
422.24585	2.2
434.17136	5.3
434.24509	1.6
435.21878	8.4
436.22522	1.7
437.23309	1.3
447.21805	13.8
448.18927	3.7
449.19458	38.4
461.18890	1.8
461.23962	2.2
462.24384	3.6
463.21280	81.1
464.21518	6.9
475.21451	5.3
476.21970	3.3
477.22958	8.7
478.23569	3.4
489.23056	4.6
491.20731	4.1
505.22101	12.3
506.23251	12.8
523.27222	9.6
533.25830	1.5
535.23218	5.1
537.24969	2.5
538.25598	4.8
548.27936	2.4
549.25006	8.4
550.25739	8.1
564.27264	4.3
591.25836	4.6
592.26910	37.5
593.26825	2.2
605.27606	2.2
607.29041	1.7
623.28058	2.5
624.29492	100.0
625.29913	6.7
776.05151	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.283
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05490	1.0
70.41927	1.0
70.42260	2.1
84.04497	0.8
84.08172	0.9
93.07059	1.0
124.03991	0.8
212.59462	0.8
281.46344	0.8
322.13217	0.9
377.17801	2.1
378.18295	1.1
379.19290	4.7
384.13162	1.0
391.19186	3.5
392.19669	1.0
393.20697	10.2
401.17508	1.4
405.21011	1.3
407.22290	6.7
415.18689	1.1
419.18442	1.2
422.17511	1.0
423.18066	4.7
437.19696	12.1
448.22537	0.9
451.21201	2.5
463.25174	7.2
465.19025	1.9
466.20175	1.5
473.19116	1.5
481.25961	4.8
488.20911	1.2
489.22452	1.6
490.20221	1.0
491.24588	2.5
496.21552	1.1
501.19162	1.1
504.19992	1.1
507.23767	4.0
509.25488	2.3
515.20679	1.7
516.20410	1.1
517.22498	5.2
518.22455	1.4
525.24982	21.5
526.25403	1.1
533.21606	1.1
535.23560	12.0
546.21851	0.9
550.22125	1.2
551.22778	3.1
553.24487	100.0
554.24548	3.9
560.22906	2.2
561.21094	1.9
590.21283	1.5
621.23456	15.4
622.24377	6.9
623.24628	1.5
718.25055	2.5
719.25531	1.5
720.26563	2.2
736.25116	1.3
764.25543	3.8
778.26947	10.4
796.28009	1.9
796.43939	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	1.2
71.49037	0.8
73.80590	0.5
79.05513	0.9
81.07046	1.0
91.05506	0.6
93.07064	0.6
95.08585	0.9
105.07021	0.6
118.06576	0.7
146.39151	0.6
197.10719	0.8
200.14253	0.6
210.11577	0.8
211.08727	0.8
212.13052	0.7
222.11517	0.6
223.08760	1.3
223.12329	1.9
224.12932	1.0
225.10272	1.0
225.13885	3.1
226.14600	0.7
232.06291	0.6
237.10255	0.7
237.13930	2.7
238.14633	0.8
239.15596	0.9
249.13966	1.5
251.08167	2.7
275.15652	0.7
280.11905	0.6
300.11417	0.6
309.08926	0.8
316.14395	0.8
338.12958	0.8
352.14243	0.9
389.17798	0.8
402.15192	0.7
403.15536	1.9
404.16422	1.0
405.21024	1.0
412.16922	0.8
417.16888	4.4
418.17880	2.6
419.18347	1.2
419.23203	0.6
420.20590	0.6
429.17200	0.7
431.18863	2.5
432.19391	4.1
433.20175	5.2
434.20517	0.9
443.18845	1.1
443.26291	0.6
445.15854	2.6
446.21201	1.1
447.16577	0.9
447.21982	13.0
448.22455	1.4
459.22189	1.2
460.18713	0.8
461.19415	1.5
463.22348	0.7
473.19623	1.1
474.20480	1.6
475.21304	24.8
476.21918	4.9
489.22934	1.7
493.21930	0.9
502.23038	0.6
503.20230	3.8
507.23755	0.7
519.24042	1.4
533.21588	0.7
534.26691	0.8
535.23364	17.6
536.24103	0.8
547.23157	2.8
549.25061	2.2
561.25037	5.8
562.25891	6.9
563.26776	3.5
579.25604	0.9
589.23755	0.9
590.25378	2.8
591.14990	0.5
607.25366	1.0
621.27197	11.2
622.27869	100.0
623.28143	5.1
697.38672	0.6
795.44531	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	794.5778
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01375	1.1
56.51837	1.1
57.03443	15.6
57.07077	8.9
61.02930	4.8
65.03928	4.7
67.05511	100.0
69.03430	1.9
69.07072	32.5
71.04981	2.0
71.08622	1.3
73.50607	1.1
79.05501	49.9
79.82679	1.0
81.03427	1.4
81.07063	98.9
83.04974	2.1
83.08621	19.0
85.02900	4.6
85.06541	3.5
85.10199	1.5
87.04471	2.4
91.03955	1.7
91.05495	30.8
93.07053	59.2
93.07648	3.0
95.04982	3.9
95.08615	75.3
97.02899	2.0
97.06535	3.2
97.10198	7.8
98.20744	3.0
98.70101	1.4
99.08073	3.2
101.12109	1.2
105.04490	1.4
105.07047	20.7
107.08608	28.2
109.06502	1.3
109.10168	29.8
111.08082	2.8
116.10750	5.9
117.07026	6.9
119.08595	21.2
121.10151	25.0
123.08105	2.3
123.11694	11.8
131.08580	10.4
132.83371	1.2
133.10153	15.0
135.11699	18.1
137.09596	2.0
137.13239	5.4
143.08678	1.4
145.10112	9.0
147.11708	13.6
149.13271	10.2
151.14803	1.6
157.10129	1.5
159.11700	8.1
161.13287	10.4
163.14847	6.5
165.16341	1.9
173.13278	5.7
175.14777	4.8
177.16434	2.6
187.14795	4.8
201.16382	2.5
241.19456	2.3
243.21111	7.3
245.22704	3.6
259.20645	4.5
261.22159	21.5
263.23743	3.4
279.23264	1.5
317.24716	3.7
333.24191	3.0
335.25827	71.9
336.26196	2.5
337.27393	78.2
338.27686	3.4
339.29153	5.9
523.45166	2.7
597.38959	1.6
597.48792	28.7
615.49945	18.1
616.51306	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	1.1
55.05516	14.8
57.03195	1.1
57.03444	10.8
57.07076	2.8
61.02903	1.8
65.03937	2.5
67.05508	64.7
67.36109	1.0
69.07072	15.7
71.04983	2.2
71.08643	1.2
71.19930	1.1
74.09728	1.5
75.59450	1.0
77.92203	1.1
79.05496	41.4
81.07057	65.1
83.08615	8.3
85.02901	2.6
85.06510	1.3
91.03959	1.3
91.05478	26.7
93.07048	47.3
95.04967	3.3
95.08611	47.8
97.02882	1.2
97.06514	2.9
97.10176	3.4
100.32182	1.1
105.06393	1.8
105.07031	19.5
107.08596	27.3
109.06498	2.1
109.10165	20.6
111.08067	2.2
117.07025	6.2
119.08580	15.1
121.10143	20.6
123.08088	1.2
123.11731	10.0
129.06993	2.5
131.08557	14.3
133.10123	14.2
135.11691	14.7
137.13258	3.9
143.08658	1.5
145.10104	11.1
147.11690	10.1
149.13286	8.1
157.10158	2.3
159.11665	7.9
161.13283	9.0
163.14857	5.2
171.11777	1.8
171.53136	1.2
173.13286	6.2
175.14839	4.9
177.16365	1.8
185.13263	2.7
187.14801	4.3
199.14867	2.2
201.16426	1.7
203.17899	1.0
213.16425	1.2
214.53415	1.3
215.17934	1.9
241.19543	4.3
243.21033	5.0
259.20642	7.7
261.22177	21.0
263.23730	1.9
317.24734	4.4
333.24310	6.8
335.25806	100.0
336.26227	3.2
337.27417	8.9
403.38593	1.3
521.43652	2.4
595.39844	1.4
595.47314	13.5
596.46429	1.4
605.41064	1.2
613.48315	11.6
637.01471	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.4592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.6
55.05516	26.0
57.03420	1.2
57.07083	8.4
61.02919	1.6
67.05511	8.4
68.99789	0.6
69.03428	7.9
69.07075	14.7
70.06579	1.7
70.88399	1.3
70.88752	1.1
71.04993	1.4
71.08636	1.0
72.08166	0.8
73.02901	1.2
73.06566	4.1
78.04781	0.7
79.05488	1.3
81.03425	7.4
81.07059	10.9
83.08624	51.0
85.02911	16.3
85.06554	1.0
86.09704	1.0
87.00835	6.4
87.04475	7.0
88.40741	0.6
88.41422	0.7
89.06037	100.0
91.05488	1.4
93.07015	1.8
93.96999	0.7
95.08617	13.3
97.02870	3.7
97.10172	16.3
97.10786	1.0
99.04463	2.6
105.01889	3.1
105.07065	1.2
107.07093	2.6
107.08570	0.8
109.02895	4.6
109.10165	10.0
111.08105	0.8
117.09155	4.5
119.08611	0.9
123.11724	1.7
125.09641	1.3
127.03916	7.0
129.01865	0.8
130.08673	1.5
131.04906	0.7
131.07092	2.1
133.08612	59.4
135.10162	0.9
135.11674	0.7
137.06013	1.0
137.13263	1.4
139.14853	1.3
145.05013	1.9
151.09673	1.6
159.02922	1.9
161.11754	1.1
163.14912	1.0
165.16434	2.3
167.07019	0.9
175.09776	0.9
177.11232	31.6
183.17465	1.0
195.12349	0.9
201.32599	0.7
221.13857	8.4
227.20059	16.4
231.04980	1.2
235.10588	0.6
239.14934	2.9
239.39099	0.7
261.22144	0.6
265.13794	0.7
265.16583	3.0
271.22684	11.8
277.22678	0.7
283.17508	4.5
306.40430	0.6
309.19128	2.3
315.25320	0.7
327.20175	3.9
333.26236	1.0
353.21841	0.8
370.18497	0.7
371.22806	17.3
377.28986	1.8
421.31662	3.2
465.34222	3.5
509.36899	68.0
510.37244	3.4
527.37939	7.8
792.46735	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.4596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.0
55.05514	26.3
57.03438	1.4
57.07080	8.4
58.79704	0.5
59.05006	0.9
67.05508	8.8
68.99787	1.3
69.03432	8.6
69.07072	14.9
70.06599	4.0
70.67870	1.1
70.68243	1.2
71.04984	1.8
71.08643	2.1
72.08151	0.9
73.02911	0.8
73.06563	4.5
79.05487	1.9
81.03415	6.0
81.07060	12.5
81.50369	0.5
83.01336	0.7
83.05013	0.8
83.08624	52.9
84.04502	0.6
84.08150	0.9
84.08973	0.7
85.02911	14.3
85.06566	0.7
86.09716	1.8
87.00832	5.9
87.04468	6.3
89.06034	100.0
90.06361	0.9
91.05467	1.3
91.07606	1.1
93.07055	2.3
95.04987	1.2
95.08613	14.2
97.02897	5.7
97.10173	16.8
99.04475	2.5
105.01884	2.4
105.07052	1.4
107.07066	2.8
107.08590	1.8
109.02883	5.8
109.06575	1.3
109.10165	10.8
110.07197	0.7
111.08072	0.9
117.01888	0.7
117.09132	4.7
119.08612	0.7
120.08106	0.5
121.06454	0.8
121.97994	0.5
123.11713	3.2
125.09583	1.1
127.03934	7.7
129.01764	0.7
130.08675	1.4
131.05005	0.6
131.07066	2.3
131.08615	0.6
133.08607	60.5
133.10226	1.6
134.08934	0.6
135.10121	0.6
135.11752	1.2
137.05956	0.7
137.13258	0.6
139.14832	2.0
145.04962	1.6
145.10118	0.9
147.11652	0.8
151.07579	0.9
151.09703	1.0
159.02916	2.1
161.11755	1.5
163.14798	0.7
165.16397	2.6
167.07141	1.1
173.13290	0.8
175.09698	0.8
177.11230	31.2
183.17589	1.2
184.93739	0.6
187.14793	0.9
189.12686	0.8
195.12268	0.9
203.17842	0.6
221.13838	8.9
227.20079	13.6
229.15755	0.8
231.05014	1.3
239.14967	2.5
243.21161	0.8
245.21121	0.9
261.22318	0.9
265.16406	2.8
271.22708	11.4
283.17538	4.6
289.23941	1.1
309.19153	1.5
315.25406	1.4
327.20154	3.2
333.26627	0.7
359.27835	0.7
371.22791	15.9
371.27237	1.1
377.28772	1.1
419.87543	0.6
421.31683	3.0
465.34070	2.6
509.36887	62.5
510.37589	3.2
527.37988	5.2
550.50916	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.4
55.05493	0.6
57.03418	1.2
58.87599	0.3
59.05007	0.3
61.02901	0.3
62.18217	0.3
62.65593	0.3
69.03425	3.4
70.06596	1.7
71.01330	0.3
71.05000	2.5
71.12987	0.6
72.08131	0.7
73.02887	0.5
79.05481	0.7
81.03388	1.0
83.04969	0.6
84.04526	0.3
84.08151	0.7
85.02914	3.6
86.09693	0.7
89.03894	0.5
91.05451	0.6
93.03416	0.4
95.04983	0.4
97.02865	0.5
98.20819	0.3
99.03854	0.3
99.04459	4.4
103.03951	1.5
103.05469	0.4
105.07040	2.3
107.04958	9.8
109.02887	0.3
111.04444	1.2
115.05457	4.9
117.05487	1.6
120.08098	0.9
127.03925	2.6
129.05479	0.7
129.10225	0.5
131.04936	5.4
132.06824	0.7
133.06506	2.8
135.04420	6.7
136.07516	0.5
137.05974	0.7
139.03937	1.8
143.04924	4.2
145.03923	0.6
146.08371	0.6
147.09174	49.5
148.09500	0.9
153.01833	0.6
159.04430	2.2
159.09149	1.2
160.09920	1.1
161.05984	5.5
161.10730	0.9
163.03905	44.3
164.04236	0.7
181.04887	0.5
187.03915	18.9
188.04190	0.4
189.10228	4.3
203.11874	0.3
205.04973	11.6
217.04990	0.3
219.11377	0.6
229.05109	0.4
245.12959	1.4
247.14455	0.4
257.04526	0.3
263.13947	1.5
271.02454	0.3
281.14975	6.7
301.03363	0.4
302.04224	0.9
303.04904	1.4
305.15027	0.7
323.16037	4.7
363.19147	9.0
364.19635	0.4
365.17114	15.0
366.17566	0.5
377.66122	0.3
389.17139	1.0
407.18152	1.4
421.05563	2.4
422.05869	3.0
423.06140	3.4
425.19183	100.0
426.19601	4.1
481.07721	0.6
482.07898	0.8
483.09171	6.2
484.09137	0.4
791.28662	19.9
792.28687	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05476	0.5
57.03383	1.3
61.02879	0.4
65.03894	0.7
66.82463	0.3
69.03429	2.8
70.06543	1.4
70.44118	0.9
71.01324	0.5
71.04998	2.8
73.02859	0.5
79.05459	0.4
81.03348	1.2
83.04933	0.7
83.23193	0.4
85.02905	3.5
85.06383	0.5
86.03179	0.4
86.09653	1.1
87.20566	0.3
89.03853	0.4
91.05424	0.5
93.03333	0.7
97.02856	0.6
98.20862	0.4
99.04468	4.5
103.03886	1.1
103.05444	0.5
105.07033	2.4
107.04964	9.3
109.02830	0.8
111.04371	1.5
115.05473	4.6
117.05425	1.7
120.08060	0.7
127.03883	2.3
131.04086	0.4
131.04947	5.3
131.05934	0.4
133.06500	3.7
135.04420	7.6
139.03886	2.6
143.04933	4.7
145.03915	0.6
146.08339	1.0
147.09180	48.6
148.09515	0.7
153.01764	0.6
159.04433	2.6
159.09096	1.3
160.09926	0.7
161.04825	0.5
161.05994	5.4
161.10692	0.9
163.03911	47.3
164.04179	0.7
187.03909	20.5
189.10210	4.1
205.04967	12.4
213.89493	0.4
215.03273	0.4
216.50198	0.4
219.11299	0.7
245.12897	1.2
257.04340	0.5
263.13879	1.6
281.14966	7.0
301.03525	0.7
302.04187	1.4
303.05032	3.5
305.15045	0.8
323.16046	6.6
327.05206	0.9
363.19110	10.2
365.17114	15.7
366.17307	0.6
389.16983	0.8
407.18243	1.5
421.05597	2.2
422.05850	3.0
423.06143	3.0
425.19208	100.0
425.81143	0.4
426.19656	3.9
482.07794	0.7
483.09180	9.7
484.09711	0.5
685.72498	0.4
767.97003	0.4
791.28680	21.1
792.28796	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.5153
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	32.2
55.05274	2.9
55.05516	41.1
57.03441	14.6
57.07070	3.0
59.04999	2.7
60.87449	1.9
61.02934	15.1
65.03941	6.9
66.47548	1.7
67.05512	100.0
69.03454	10.2
69.07078	35.6
69.18451	16.8
71.04985	7.8
73.02904	5.7
79.05502	88.3
81.03427	9.6
81.07063	85.3
83.04984	11.0
83.08630	18.2
84.43240	1.7
85.02911	14.5
85.06540	4.1
91.03971	6.4
91.05488	65.2
93.07050	78.5
95.01389	2.2
95.04993	14.1
95.08614	63.0
97.02893	11.1
97.06544	44.6
97.10182	17.1
99.04433	2.6
101.92427	1.9
105.07037	57.7
107.04961	19.4
107.08607	51.5
109.02921	4.5
109.06514	7.7
109.10169	31.7
111.08065	5.1
115.05461	2.4
117.07033	24.7
117.85995	1.7
119.08590	35.3
120.08995	1.8
121.06501	6.2
121.10152	33.5
123.08091	4.4
123.11684	10.2
125.09645	17.2
127.03904	5.0
128.06252	3.0
129.07021	7.6
130.07835	2.2
131.08577	28.0
133.06526	3.5
133.10138	33.3
135.08096	7.6
135.11676	16.1
137.09621	5.1
139.93028	1.8
141.06976	2.6
142.60571	1.7
143.08577	9.5
145.10143	27.0
147.11725	20.1
149.09630	29.5
149.13271	5.2
151.11230	3.1
155.08537	3.1
157.10132	9.6
159.08104	2.3
159.11707	20.1
161.09634	3.1
161.13252	9.5
163.11130	8.6
163.14838	2.6
165.09160	2.1
167.08595	2.4
169.10155	6.1
171.10223	2.5
171.11664	6.0
173.09720	2.1
173.11795	3.2
173.13286	9.8
175.11244	3.0
175.14835	3.1
177.12776	4.6
183.11716	4.7
185.13272	4.4
187.11163	3.7
187.14882	4.2
189.11209	13.6
189.12654	2.5
197.13290	3.9
199.14845	2.1
201.12692	1.8
201.16309	2.7
211.14903	2.9
227.12778	27.9
229.14276	4.9
229.19534	2.9
239.17967	3.3
241.19595	1.9
243.21117	4.4
247.20570	3.6
256.98190	1.7
257.18994	8.8
259.20673	3.3
261.19812	1.7
261.22147	11.0
267.16074	2.3
275.20084	61.3
293.20865	4.3
296.38736	1.8
297.22134	1.9
317.24835	2.0
326.09305	2.1
331.22729	1.9
333.24213	3.8
335.25836	71.4
335.29962	3.4
336.26398	3.9
342.43530	2.0
349.23755	43.3
351.25403	1.9
367.25021	2.1
431.31540	5.9
443.73196	1.9
459.91034	1.8
489.35373	2.9
505.35364	9.0
505.41696	1.9
513.39313	7.5
515.37280	4.7
563.38995	2.9
609.45209	49.7
610.45178	3.1
627.46307	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	789.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	4.6
55.05521	15.8
57.03437	12.3
65.03931	3.3
67.05187	4.8
67.05511	60.4
69.07053	13.5
69.29330	24.1
71.04986	2.7
71.08606	3.4
79.05497	43.0
81.03423	3.5
81.07063	54.6
83.04997	5.3
83.08623	7.6
85.06542	5.5
91.05491	46.7
93.07050	52.8
95.01328	3.0
95.04942	6.3
95.08607	40.7
95.36690	2.4
97.06523	10.3
97.10117	3.2
102.55499	2.5
103.05477	3.1
105.07034	48.7
107.04958	9.2
107.08609	25.3
109.06557	3.1
109.10148	11.8
115.78656	2.8
117.07027	19.1
119.08598	29.5
121.06516	3.1
121.10168	21.2
123.08017	3.3
131.08563	23.5
133.10141	24.0
135.11690	9.6
145.10141	11.1
147.11635	13.6
149.09679	3.4
159.11656	8.1
161.13261	6.6
171.11635	4.1
173.13216	5.2
179.14317	3.4
185.13303	2.4
203.14398	3.6
219.17458	100.0
220.17802	3.8
275.20068	42.9
276.20261	3.7
288.20120	3.0
293.21127	3.6
335.22061	5.2
335.25833	71.6
349.23767	20.0
563.39441	28.5
609.45148	99.8
610.45612	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	789.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01838	0.5
55.05478	0.4
56.46836	0.3
56.93771	0.3
57.03432	2.6
59.04951	0.3
61.02903	0.6
61.03302	0.3
68.54129	0.3
69.03438	1.5
69.36940	1.0
69.37363	1.2
70.06572	0.6
71.04996	13.1
72.08089	0.3
73.02881	0.8
81.03394	0.9
83.04920	0.8
84.08141	0.4
84.28413	0.2
85.02908	18.7
85.35249	0.2
86.09714	0.5
87.04426	0.6
91.03947	0.3
92.71229	0.3
97.02911	2.1
98.04929	0.3
109.02847	0.7
111.04414	0.4
112.38693	0.3
123.04429	0.5
127.03867	1.2
129.05476	3.9
129.10217	0.3
137.02379	1.3
137.03253	0.3
145.04906	0.9
147.06490	1.1
203.03333	1.3
227.03264	0.5
243.02678	0.3
244.03758	1.4
255.03102	0.3
257.04416	0.7
259.02420	0.5
271.02386	13.3
285.03851	0.5
289.03448	0.6
294.01620	0.5
294.04990	0.3
302.05673	0.5
303.06528	1.7
309.07608	0.4
319.06168	1.6
320.06522	0.4
331.18781	0.3
337.06992	0.7
347.05563	1.5
348.06290	0.7
349.07288	0.4
359.05618	0.5
365.06598	3.2
375.05008	0.6
375.77225	0.3
376.05771	1.9
377.06790	0.6
393.05820	0.4
403.04465	0.3
404.05246	0.3
405.06213	0.4
420.93857	0.7
421.05554	99.4
422.06171	10.5
481.07672	100.0
482.07858	3.8
747.03735	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.9
58.43311	0.3
59.51611	0.2
61.02884	0.7
67.05499	0.4
69.03436	2.4
69.07053	0.2
70.06554	0.9
71.04996	14.2
72.08162	1.1
73.02883	0.8
75.04468	0.5
78.01257	0.2
79.87501	0.2
81.03381	0.9
81.07052	0.2
83.04946	0.9
84.08095	0.8
85.02908	18.7
86.09668	0.8
87.04431	0.6
91.05424	0.4
97.02904	1.7
98.20824	0.7
99.04450	0.5
101.71670	0.2
109.02853	0.7
111.04386	0.4
112.68241	0.2
123.04423	0.3
127.03912	1.2
129.04671	0.3
129.05496	4.0
129.10175	0.4
135.21556	0.2
137.02361	1.8
137.05902	0.3
143.11763	0.4
145.04933	0.9
146.05994	0.6
147.06488	1.0
159.09138	0.3
175.03873	0.4
203.03389	1.5
215.03304	0.3
216.04111	0.4
227.03467	0.5
228.04260	0.4
233.70024	0.2
243.02989	0.6
244.03635	1.2
245.04456	0.7
255.02922	0.4
257.04462	0.9
259.02362	0.6
271.02383	15.5
272.02713	0.4
274.06168	0.3
285.03857	0.9
289.03473	0.5
291.06595	0.4
294.01425	0.3
302.05551	0.3
303.06631	2.0
304.26401	0.2
309.07669	0.4
312.02634	0.3
319.06030	3.0
320.06760	0.7
321.07706	0.4
331.06012	0.3
337.07150	1.2
347.05530	1.7
348.06100	0.5
359.05457	0.4
365.06610	3.5
375.05206	0.3
376.05743	1.9
377.06528	0.2
393.06021	1.0
405.06149	0.4
421.05554	97.2
422.06183	10.9
463.06573	0.4
481.07672	100.0
482.08026	3.6
546.12390	0.3
789.37665	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05479	1.6
56.82389	0.4
57.03424	0.8
61.02909	0.8
65.03910	0.8
67.05516	2.4
68.33836	0.4
69.03394	1.2
69.07031	1.0
70.47469	0.4
70.64872	0.8
70.65225	0.6
79.05447	1.4
79.05871	0.4
79.39848	0.4
80.04968	0.5
81.03389	0.6
81.07027	1.7
83.08611	0.5
85.02892	1.8
85.85473	0.4
91.03927	0.9
91.05484	3.3
92.04510	0.5
92.05008	6.2
93.05781	1.0
93.07023	1.2
94.06557	1.1
95.08573	1.1
97.02869	1.4
101.02371	0.4
106.06575	2.0
107.08577	0.7
109.10117	0.5
111.14697	0.4
117.05726	1.5
118.06553	19.6
119.07276	1.4
119.40030	0.4
120.08118	2.2
130.06487	1.9
132.08087	2.3
133.08815	0.5
134.09665	0.9
144.08070	0.8
146.09605	1.0
146.21170	0.5
161.13274	0.4
162.09148	21.6
163.09947	5.1
164.10666	1.2
176.10669	1.4
198.87822	0.4
202.15915	5.3
212.81215	0.5
218.15477	0.6
230.15419	36.8
231.15683	0.7
247.36896	0.4
248.16533	1.7
262.18079	2.1
274.18103	0.9
292.19092	85.9
293.19424	2.4
304.19257	2.7
322.20032	0.9
332.22174	1.0
348.21683	3.5
510.26984	9.5
526.10352	0.5
626.44299	3.9
629.83081	0.4
643.35437	0.4
788.49438	100.0
789.49945	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	787.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	11.9
55.05515	37.9
57.03429	8.1
57.07066	3.9
61.02931	15.2
65.03934	5.8
67.05505	53.5
69.03438	14.6
69.07079	21.9
70.78801	9.3
71.04974	8.1
73.02908	7.5
79.05493	46.8
79.21444	3.0
81.03404	11.9
81.07058	47.8
83.05014	4.2
83.08611	13.8
85.02913	15.4
91.03952	5.9
91.05489	43.1
93.07043	36.6
95.04967	6.5
95.08605	38.5
97.02878	10.4
97.06527	16.9
97.10157	8.9
105.04518	3.2
105.07025	44.3
107.04956	6.2
107.08578	28.9
107.29195	3.0
109.02895	5.0
109.06545	4.5
109.10150	24.6
115.05475	3.6
117.06992	13.3
119.08578	30.7
121.06461	3.9
121.10130	18.1
123.08076	4.4
123.11690	5.6
125.09626	7.8
127.03948	5.2
128.06174	4.4
129.07047	16.8
131.07819	2.4
131.08563	23.3
133.06497	3.3
133.10107	16.4
135.08044	4.2
135.11707	7.5
141.07018	5.0
142.07762	4.2
143.08575	18.8
145.10143	23.2
147.08139	3.3
147.11671	13.3
149.02325	4.9
149.09647	7.6
149.13284	4.0
155.08539	15.7
157.10146	23.1
159.11716	19.1
161.13252	8.6
163.11171	4.0
167.08562	6.3
169.10094	14.1
171.11696	18.6
173.11880	3.2
173.13292	12.3
175.14752	4.4
181.10147	5.0
183.11722	17.5
185.13290	10.5
187.14859	4.5
189.12761	3.5
193.04936	9.4
195.11688	9.2
197.13309	10.0
199.14816	7.3
209.13248	8.4
211.14735	3.7
213.16451	4.9
221.13197	5.9
223.14818	5.1
225.16461	5.7
227.12808	4.9
233.15265	3.1
249.16473	3.9
257.18982	3.5
258.52832	2.8
259.20523	9.6
267.15854	3.6
273.18600	4.3
275.20041	10.9
291.19522	4.7
297.21698	2.8
333.24203	8.3
335.25842	4.5
349.23767	8.3
365.28317	5.3
379.29965	3.9
495.34250	4.4
508.27621	3.1
513.35883	27.2
533.39417	6.7
551.40466	3.6
607.43622	48.8
625.44623	100.0
626.44855	6.6
745.03046	3.3
769.48499	8.6
770.16089	3.8
787.49634	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	787.4995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	4.8
55.05516	28.5
55.07420	2.8
57.03430	8.0
61.02921	7.8
61.30631	2.4
65.03925	5.4
67.05511	67.8
67.14816	2.3
69.03428	7.4
69.07073	18.1
71.04993	4.0
73.02919	2.6
77.81584	2.7
79.05075	4.9
79.05499	64.1
81.03401	5.9
81.06586	5.2
81.07060	70.9
83.04977	6.3
83.08620	13.2
85.02917	7.4
85.06523	5.0
91.03938	3.3
91.05486	74.6
93.07048	50.6
95.04980	4.5
95.08610	43.8
97.02879	5.0
97.06559	5.2
97.10174	5.5
98.21505	6.8
99.08062	2.6
103.05491	3.8
105.07040	49.8
107.04961	7.6
107.08597	27.9
109.06521	7.5
109.10159	13.6
111.04398	2.7
111.08073	6.6
115.05476	8.1
117.07031	41.8
119.08588	35.9
121.06492	6.2
121.10139	25.0
123.08104	5.2
123.11729	3.2
128.06207	17.1
129.07027	20.0
130.07758	5.0
131.08574	53.2
133.06465	11.0
133.10139	16.7
135.08041	9.1
135.11662	7.3
137.09639	4.1
139.47485	2.8
141.06982	5.6
142.07779	7.4
143.07498	4.2
143.08580	43.8
144.09328	2.8
145.06485	3.7
145.10121	55.1
147.08046	9.1
147.11694	9.5
149.09608	4.3
149.13257	9.3
155.08553	8.3
157.10132	22.6
159.11687	18.7
161.09656	12.9
161.13184	4.2
163.11180	8.4
165.09193	2.6
167.08556	5.8
169.10138	11.7
171.11693	18.2
173.13278	8.3
175.11203	9.5
177.12727	3.9
181.10098	7.3
183.11629	5.2
185.09637	3.4
185.13274	5.9
187.11183	4.1
189.12782	3.4
195.11647	5.5
197.13226	5.1
199.11163	3.7
201.12721	3.7
211.14900	3.3
213.12741	3.5
227.17982	8.6
237.16383	12.0
245.19022	7.1
255.17429	15.2
261.21909	4.9
273.18500	76.9
299.63226	2.3
335.25824	100.0
336.26099	6.3
347.22205	35.8
419.04318	2.8
517.51770	3.2
534.19604	2.7
575.84528	2.6
607.35486	3.5
607.43695	37.4
625.44391	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.1
55.05515	12.8
57.03430	4.3
57.07063	1.6
60.50944	1.1
61.02931	25.0
63.96499	1.3
65.03945	1.8
67.05507	25.7
69.03429	7.9
69.07073	9.8
69.39022	9.0
70.06568	1.7
71.05005	3.1
73.02921	8.2
79.05500	25.7
81.03425	3.4
81.07057	25.5
83.04972	2.7
83.08630	8.1
85.02909	28.2
85.06545	2.2
91.03967	14.5
91.05481	31.1
93.07048	22.5
95.04984	4.9
95.08616	15.3
97.02896	15.1
97.06532	4.1
97.10158	4.1
99.04430	1.9
103.05510	2.0
103.49162	1.5
105.07034	23.7
107.04959	5.2
107.08580	8.9
109.02876	1.9
109.06522	4.3
109.10161	6.6
111.08096	2.8
115.05473	4.0
116.06254	1.8
117.07029	18.5
119.04970	1.9
119.08580	13.9
121.06514	4.4
121.10175	4.9
122.04172	1.5
123.08069	2.9
123.11742	1.9
125.09636	2.1
127.03926	7.1
128.06244	6.0
129.07005	25.9
131.08582	28.1
133.06511	3.0
133.10155	12.4
135.08078	2.5
135.11703	3.5
137.09619	1.3
141.07005	10.5
142.07771	3.4
143.08575	19.8
145.04982	5.1
145.06511	6.3
145.10165	12.7
147.08064	5.4
147.11716	5.9
149.09618	5.1
151.11203	1.6
153.06976	2.8
155.08549	17.2
157.06493	2.7
157.10101	11.3
159.08107	3.7
159.11743	10.1
161.09673	3.0
161.13344	2.4
163.06038	3.4
165.07048	2.9
167.08554	9.6
169.10124	12.9
169.37343	1.4
171.08081	2.5
171.11696	6.1
173.09590	2.3
173.13300	3.2
175.11205	2.7
177.12842	2.9
179.08598	3.9
180.09344	2.3
181.10098	7.1
183.08133	2.2
183.11725	8.2
185.09615	2.4
185.11809	1.3
185.13298	4.7
187.11229	3.6
193.10135	4.6
195.11684	9.9
197.09750	1.9
197.13242	5.4
199.11150	1.4
199.14854	2.2
201.12706	1.3
207.11688	3.1
209.13316	6.1
211.11317	1.3
211.14813	4.5
213.12813	2.7
214.26219	1.4
215.14296	3.8
221.13333	6.6
223.14850	5.7
225.12755	2.9
225.16487	2.7
227.14433	1.9
229.15875	1.9
231.17424	2.3
233.13257	2.3
235.14890	4.1
239.14301	5.5
241.16005	1.6
243.13884	1.7
243.17322	1.8
245.15463	2.0
253.15919	2.6
257.15485	3.4
271.16931	2.8
275.16080	1.3
293.43341	1.4
315.21243	2.0
323.23761	3.4
333.18326	1.4
333.22107	9.0
341.24762	5.9
351.23212	29.3
369.24307	22.3
387.25409	14.9
425.26849	7.9
443.27960	100.0
444.28229	4.9
461.29001	67.9
462.29330	3.5
485.29086	4.1
503.29922	1.6
551.29407	1.7
569.30695	2.0
605.33368	2.0
657.63019	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.6
57.03440	3.0
61.02917	1.4
69.03433	1.9
70.06598	0.9
70.37251	1.0
71.05000	11.6
73.02907	0.6
75.04498	0.4
81.03441	1.2
83.04996	0.7
84.08131	0.6
85.02911	18.8
87.04479	0.7
87.85009	0.4
97.02894	2.0
98.20911	0.3
99.04485	0.5
109.02854	0.8
111.04438	0.6
121.02885	0.5
121.58880	0.3
127.03921	1.0
129.05492	2.4
131.04979	0.4
137.02353	5.3
137.03426	0.4
139.64545	0.3
145.04964	1.1
147.06491	0.5
155.15962	0.3
158.36087	0.3
161.02373	0.5
162.07002	0.3
163.03918	0.7
175.04013	0.3
177.01874	0.6
187.03929	0.6
191.03474	0.4
205.01376	0.7
239.03418	0.4
241.04982	0.5
255.03015	0.4
257.04520	2.2
259.05911	0.4
267.03012	0.7
269.04523	1.6
272.27383	0.3
273.03958	0.3
281.04395	0.3
283.02484	0.6
285.03958	7.1
286.04556	0.8
287.05447	0.4
293.00723	0.4
295.02441	1.4
295.06070	0.8
297.03964	4.3
299.05508	0.5
301.03528	0.6
303.05029	1.6
311.01862	1.1
311.05612	0.9
312.02789	0.7
313.03455	7.3
313.06970	0.7
314.04092	0.6
315.04990	5.7
323.02087	0.7
323.05533	1.0
325.03436	5.3
326.04190	0.5
327.04984	1.1
329.02939	21.2
330.03415	0.9
339.01422	6.1
339.05130	1.6
341.02905	6.8
341.06689	7.6
342.03604	0.8
343.04535	4.3
347.03827	0.4
351.05075	0.9
353.02896	1.4
355.04703	1.3
357.02402	0.9
359.03937	0.7
367.04395	1.5
369.02399	5.3
369.06250	4.1
370.02747	0.4
371.04004	10.0
372.04239	0.6
385.05533	1.3
387.03473	23.2
388.03986	0.9
395.04022	2.7
397.05487	4.7
413.05069	8.9
431.06131	15.6
432.06445	0.8
441.04980	0.3
459.05618	11.6
460.06171	0.6
477.06686	100.0
478.07022	3.5
639.11957	0.8
644.46930	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.0
55.05510	0.8
57.03437	4.0
61.02928	1.9
69.03423	2.9
69.50742	0.4
70.06577	1.5
70.55655	0.5
70.55997	1.0
71.01331	0.6
71.04996	20.0
72.05291	0.4
73.02911	1.0
75.04493	1.0
77.53522	0.3
81.03414	0.8
83.04990	1.7
84.08141	0.7
85.02908	29.2
87.04464	0.8
91.03925	0.4
95.04942	0.4
97.02898	2.9
99.95975	0.3
109.02907	1.1
111.04451	1.2
117.03395	0.5
123.04441	0.5
127.03922	1.2
129.05481	6.3
137.02348	7.8
145.02844	0.7
145.04974	1.2
147.06499	2.1
163.00276	0.5
163.03983	0.6
177.05482	0.8
187.03960	0.7
193.01398	0.7
211.03934	1.0
213.05498	0.4
217.01396	0.4
229.05017	0.9
231.02759	0.4
239.03441	0.5
257.04547	1.1
259.02277	0.4
267.02884	0.6
273.03906	0.7
273.57904	0.4
274.04709	1.2
283.02435	1.1
285.03952	3.0
287.05487	0.5
302.04169	2.9
303.05008	3.2
305.02841	0.5
311.01855	0.5
313.03601	2.3
313.06772	0.7
315.05017	8.0
315.08633	0.7
316.05530	0.5
317.03046	0.9
327.05145	1.0
329.02911	6.3
329.06610	0.6
331.04517	0.6
339.01358	0.5
341.02966	8.3
341.06644	2.0
342.03870	0.8
343.00305	0.6
343.04422	8.3
343.08243	0.5
344.60773	0.4
347.04010	1.5
355.04587	0.5
357.02420	6.6
358.03122	3.4
359.03928	2.5
360.26407	0.4
367.04410	0.7
369.02332	12.8
369.06284	1.8
370.02881	0.5
371.03983	14.3
372.04456	0.8
379.04681	0.4
383.03680	0.4
385.05585	1.1
387.03519	1.4
397.05606	1.8
399.03525	1.0
412.79474	0.4
413.05222	1.1
415.06674	1.0
431.06152	12.0
459.05609	14.2
477.06671	100.0
478.06821	2.7
516.64307	0.4
680.34601	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.7
55.05513	12.4
57.03444	12.0
57.07078	40.4
65.03938	3.3
67.05505	49.7
69.07067	14.3
69.85780	1.4
71.01350	1.4
71.08287	2.5
71.08634	23.3
71.49153	2.5
73.02887	2.8
73.41592	1.3
77.42780	1.6
79.05489	24.5
81.07060	45.5
83.08613	14.3
85.02898	6.2
85.06592	1.5
85.10174	14.0
91.05478	17.9
93.07048	30.8
95.01335	2.7
95.04961	2.1
95.08611	43.6
97.02904	2.1
97.10169	6.2
97.13097	2.1
99.08079	3.5
103.07597	2.1
104.10757	3.4
105.07036	12.8
107.08591	11.9
109.10163	21.7
113.02292	2.1
117.07022	3.7
119.08605	8.7
121.10152	14.7
123.11705	8.5
125.13248	1.4
131.08580	7.9
133.10132	5.9
135.11726	11.1
137.13232	3.7
141.01819	2.5
145.10101	6.3
147.11696	5.1
149.13277	7.3
159.11607	3.9
163.14830	2.6
170.05281	1.5
173.13214	4.0
175.14633	1.6
187.14862	3.1
239.23663	6.5
243.21022	6.0
257.24924	1.8
261.22144	28.1
313.27368	100.0
314.27713	2.7
314.41531	1.7
317.24762	5.8
335.25812	78.1
336.26193	2.6
573.48798	32.6
591.49164	3.6
794.89954	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.5017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.2
57.03423	2.0
61.02928	6.2
62.71776	1.1
67.05509	4.5
69.03421	3.4
71.49353	1.8
72.27111	0.9
73.02920	3.9
79.05493	4.0
80.61420	1.0
81.03390	1.1
81.07043	6.2
85.02914	4.5
91.03960	4.6
91.05479	2.2
93.07064	4.9
95.08616	5.3
97.02891	5.7
99.04465	1.6
101.02404	1.9
104.10763	8.7
105.07061	2.4
107.08614	3.8
109.10209	2.3
119.08581	1.3
121.10121	2.3
127.03975	1.2
131.08549	1.2
149.13246	1.3
149.18314	1.2
185.66931	1.2
201.55103	1.2
331.26236	1.3
399.07697	1.2
419.69528	1.4
505.27753	5.5
519.29541	8.2
520.54480	1.1
654.24200	1.1
748.94086	1.1
783.50159	100.0
784.50476	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	784.4512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.9
55.05515	15.0
57.03438	13.7
57.07082	36.0
59.92129	1.2
60.87482	1.3
61.32173	1.2
65.03938	1.6
67.05509	37.4
69.03419	4.3
69.07076	20.3
69.54487	8.0
71.04982	5.1
71.08639	28.8
73.02915	2.6
79.05495	16.7
81.03416	3.1
81.07060	96.1
83.04987	6.6
83.08627	18.5
85.02927	2.1
85.06544	6.8
85.10183	18.2
86.57828	1.3
89.06048	1.9
91.05491	26.8
93.07043	12.9
95.04966	3.6
95.08610	37.6
97.06538	7.8
97.10204	6.1
98.20721	1.3
99.04478	2.4
99.08095	4.2
101.06033	1.3
104.10744	3.0
105.07040	37.7
107.08611	12.4
109.02866	4.8
109.06519	5.1
109.10155	9.4
110.03651	2.7
111.04449	3.6
111.08080	2.4
119.08583	27.0
121.10156	19.7
123.08063	4.8
123.10830	2.2
123.11710	33.0
125.09653	1.5
127.03916	1.9
127.07584	1.7
129.06996	1.3
133.10143	2.8
134.85553	1.1
137.13258	4.7
141.09123	2.0
147.11699	68.3
157.10144	2.7
165.12773	30.8
175.11214	2.6
183.13789	4.1
191.00108	4.4
193.12294	2.8
209.01099	1.5
211.13397	1.9
229.14403	15.1
239.23735	9.0
257.24704	2.2
267.15939	95.5
268.16275	2.9
285.16989	89.2
286.17331	2.3
313.27390	100.0
314.27573	2.8
331.28503	7.2
419.13718	3.3
465.25266	1.3
493.17453	9.0
511.18597	6.1
523.39972	78.3
524.40161	4.8
539.28748	8.9
646.85046	1.3
731.40729	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	0.5
70.49039	0.4
71.48648	0.5
93.07080	0.6
97.96933	0.4
103.21356	0.4
118.06570	0.5
120.08157	0.8
195.09041	0.5
196.10007	0.5
197.10738	0.7
204.06541	0.5
209.10747	1.1
210.11525	1.1
211.08759	0.4
211.12341	0.8
212.13031	0.5
221.10910	0.5
222.11632	0.4
223.08853	0.9
223.12296	1.7
224.13135	0.9
225.10283	1.1
225.13863	2.9
226.14745	0.9
235.08755	0.5
235.12344	1.1
237.10318	0.8
237.13872	1.9
238.14633	0.8
239.11815	0.4
239.15512	0.7
249.14006	1.6
251.08148	1.9
251.11977	0.5
256.92322	0.4
263.08188	0.5
266.40546	0.4
269.12943	0.6
270.13519	0.5
275.15405	0.4
276.16406	0.5
287.10449	0.4
288.11542	0.4
309.08615	0.6
326.12994	0.9
338.12683	0.7
339.13757	0.5
340.14600	0.9
389.17990	0.9
395.80719	0.4
401.14670	0.5
402.14777	0.8
403.15479	1.3
403.19803	0.8
404.20349	0.9
405.21066	0.5
412.16193	0.5
415.16287	0.6
416.16904	0.6
417.16974	4.2
418.17639	2.9
419.18201	0.6
419.22974	0.6
427.19241	0.6
431.18765	1.7
432.19403	2.3
433.20142	4.9
445.16525	1.6
446.21713	0.7
447.21997	11.1
448.22485	1.3
458.17203	0.7
460.18954	1.2
461.19434	0.9
462.20328	0.9
474.20694	0.9
475.21301	24.0
476.21948	4.6
489.22916	1.2
503.20703	3.6
505.22668	1.0
507.24313	1.1
520.24756	0.6
521.21869	1.2
533.21875	1.9
535.23425	14.3
536.23798	1.4
547.23193	1.6
548.24164	4.1
549.24945	5.8
565.24536	0.9
575.23370	1.1
576.23724	0.7
593.24133	0.8
607.25500	14.7
608.26331	100.0
609.26636	7.3
781.29034	0.6
781.42462	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08394	1.1
61.02942	1.1
67.05499	1.3
67.85126	0.8
71.48827	1.1
74.41454	0.8
77.27309	0.8
82.04898	0.9
97.02926	1.0
109.36314	1.0
120.08067	0.9
132.87292	0.8
147.11629	0.9
149.88338	0.8
196.09660	1.1
209.10745	1.8
210.11507	1.3
221.10779	1.1
223.08719	1.7
223.12219	1.3
225.10132	1.7
225.13873	3.0
226.14525	1.3
235.08571	1.1
237.13850	2.0
249.13812	1.5
251.08173	2.5
292.71689	1.0
314.13135	1.4
338.12912	1.7
403.15152	1.6
404.19812	0.9
417.17044	5.6
418.18021	2.5
431.19006	2.5
432.19345	2.0
433.20496	4.4
434.37787	1.3
445.16116	2.3
447.21957	10.8
448.22415	1.6
457.20529	1.4
460.18729	1.9
474.20047	1.2
475.21326	27.5
476.22122	8.9
489.22510	1.9
503.20789	4.0
507.23813	1.3
521.21210	1.2
533.21936	1.2
535.23383	12.4
547.23102	2.4
548.24048	8.1
549.25067	7.4
607.25665	19.4
608.26361	100.0
609.26416	5.7
780.42188	1.4
781.43036	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	779.455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.5
55.05508	1.1
57.03436	1.5
59.94516	0.5
61.02930	4.2
67.05518	3.9
69.03436	3.0
69.07065	1.0
69.72760	2.6
69.73136	0.8
70.46749	0.4
71.05000	0.6
72.35144	0.5
73.02935	2.8
77.32721	0.5
78.49499	0.5
79.05494	3.3
79.97871	0.5
81.03001	0.6
81.03441	2.2
81.07053	4.1
82.79601	0.5
83.04945	0.6
85.02926	3.6
85.06525	0.6
87.04506	0.7
91.03967	2.0
91.05499	2.1
92.07549	0.5
93.07027	3.6
94.79707	0.5
95.04979	0.6
95.08617	3.3
97.02893	3.3
101.02398	1.4
105.07034	1.9
107.08627	1.6
109.02858	0.7
109.10170	1.1
119.08601	1.1
121.10170	2.0
123.11753	0.5
127.03951	1.1
131.08588	1.5
133.10165	1.0
135.11682	0.6
147.11766	1.1
149.09666	1.4
159.11710	0.6
162.28558	0.5
193.12334	0.9
243.08479	2.2
283.15192	3.5
339.17825	0.7
501.23148	6.2
504.02341	0.5
519.29279	6.6
576.71106	0.5
779.45551	100.0
780.45776	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.9
55.05508	1.3
57.03449	0.7
61.02935	4.4
67.05512	5.2
69.03427	2.3
69.07056	0.9
70.35551	1.5
71.04990	3.2
72.96516	0.6
73.02929	2.7
74.48744	0.5
76.36767	0.6
79.05499	3.7
79.76070	0.6
81.03427	1.5
81.07065	5.0
83.08642	0.8
85.02914	3.9
88.66784	0.5
89.31905	0.5
91.03967	2.4
91.05471	3.9
93.07058	4.1
95.08614	2.0
97.02898	4.3
97.06556	0.7
98.21454	0.6
99.04475	0.6
101.02406	1.8
104.80599	0.5
105.07065	3.1
107.08622	3.0
119.08633	1.9
121.10153	1.3
122.35652	0.5
123.11720	0.6
127.03951	1.0
129.05455	0.8
131.08600	1.0
133.10135	3.1
135.11784	0.6
138.26291	0.5
145.05090	0.7
147.11713	1.2
159.11722	1.4
161.13232	0.9
183.13815	0.6
185.04254	0.6
195.55568	0.6
221.36168	0.5
243.08546	2.4
244.81773	0.5
267.15781	1.5
301.09009	0.8
485.23572	8.6
535.28729	4.7
557.25458	1.0
678.37921	0.8
779.45563	100.0
780.45892	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	779.4193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.7
57.03442	1.8
61.02928	4.5
67.05515	2.8
69.03436	2.4
69.07071	1.0
70.06605	1.1
71.01354	0.6
71.05014	0.9
71.48645	0.9
72.71996	0.4
73.02933	2.5
79.05492	3.2
81.03416	1.5
81.07059	7.6
83.08609	0.6
84.16597	0.5
85.02908	3.8
86.68826	0.4
91.03973	2.6
91.05488	3.1
93.07085	2.4
95.08622	2.2
97.02903	2.5
97.06541	0.9
99.04445	0.8
101.02391	1.2
105.07034	3.2
107.05034	0.6
107.08624	1.9
109.02930	0.7
109.06556	0.8
109.10123	0.6
119.08582	2.6
121.10188	2.0
123.11716	1.8
127.03933	1.1
133.10147	0.7
141.88948	0.5
147.11696	4.0
149.02411	1.4
159.11972	0.4
165.12793	1.6
193.05002	0.7
203.05330	0.8
228.23174	0.5
243.08456	1.8
251.12755	1.1
252.80197	0.5
254.24992	0.4
275.20349	0.5
333.20242	0.9
340.23468	0.5
453.21155	0.8
469.20438	10.5
486.07004	0.5
495.68518	0.6
508.05933	0.5
551.28491	3.9
608.62537	0.6
681.34558	1.7
735.43109	0.8
761.40692	0.8
779.41907	100.0
780.28589	1.0
780.41992	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	779.4197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.4
57.03440	1.4
57.07067	0.3
59.32765	0.3
61.02934	3.7
65.03946	0.6
67.05518	3.1
69.03441	3.2
69.07077	2.6
70.00295	1.3
70.06606	0.6
71.01355	0.3
71.04981	0.7
73.02927	3.1
79.05501	2.9
81.03422	1.1
81.07059	6.1
83.04993	0.5
83.08631	0.8
85.02908	4.1
85.06560	0.4
86.09732	0.4
88.07631	0.5
91.03946	2.1
91.05482	2.9
93.07037	2.1
95.04987	0.6
95.08613	1.5
97.02904	3.7
97.06531	0.6
97.10146	0.4
99.04482	0.5
100.10222	0.3
101.02397	1.2
103.03914	0.4
105.07041	2.8
107.08575	1.5
109.02839	0.4
109.06512	0.4
115.03938	0.3
117.07037	0.5
119.08584	2.4
121.10167	1.8
123.11742	1.2
125.09648	0.6
127.03922	0.9
127.07574	0.4
131.08594	0.5
133.10123	0.4
135.11717	0.3
145.10172	0.5
147.11673	3.5
147.12634	0.3
149.02361	1.7
150.02689	0.4
159.11749	0.5
165.12764	1.5
185.04205	0.7
193.05138	0.8
203.05254	0.5
228.23335	0.9
229.23615	0.3
243.08443	2.4
251.12642	1.3
267.16022	0.5
269.12375	0.4
301.09021	0.5
307.15216	0.5
333.20505	1.3
341.23627	0.3
377.96252	0.3
439.20160	0.3
453.21100	0.3
469.20441	9.7
470.20816	0.3
535.44336	0.3
541.23218	0.6
551.28363	3.8
599.98364	0.3
617.36707	0.5
643.54919	0.3
681.34723	0.6
735.43335	0.4
761.40802	0.7
779.41980	100.0
780.42175	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	778.5465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05274	2.1
55.05518	26.4
57.03440	18.1
57.07074	5.4
60.88568	1.3
61.02930	4.1
65.03922	4.3
67.05511	95.0
69.03437	1.4
69.07076	22.9
70.06588	3.3
70.72491	2.6
70.72840	1.5
71.04980	2.0
71.08617	1.8
77.03903	1.6
79.05501	67.8
81.07066	100.0
82.07378	1.5
83.04985	2.9
83.08625	11.6
85.02916	3.3
85.06567	2.7
88.35189	1.3
91.03928	2.0
91.04916	2.1
91.05487	39.2
93.07053	70.9
95.05000	6.5
95.08616	78.6
97.02907	3.2
97.06534	4.7
97.10171	4.9
99.08090	2.0
101.83870	1.4
105.04497	1.7
105.07040	32.6
107.08602	44.6
109.06519	5.0
109.09477	2.6
109.10169	36.8
111.08107	1.5
113.00043	1.9
116.07114	2.2
117.07032	11.8
119.08596	27.4
121.10154	31.5
123.08085	2.9
123.11714	15.6
125.09617	2.2
129.07025	3.2
131.08594	21.8
133.10139	21.7
135.11697	22.0
137.09621	2.1
137.13228	4.0
143.08566	3.0
145.10143	19.0
147.11702	17.3
149.13252	15.4
157.10162	4.2
159.11702	12.7
161.09602	1.4
161.13264	11.0
163.11206	1.4
163.14864	6.4
164.04054	1.3
169.10115	1.6
171.11665	5.3
173.13283	14.3
175.14822	4.3
177.12735	1.7
184.07317	3.0
185.13239	4.3
187.14832	6.1
189.16472	2.8
199.14763	2.5
201.16360	2.2
215.17947	1.6
227.17906	4.2
229.19508	6.0
233.23018	1.6
241.19606	2.5
243.21107	4.6
245.18898	3.6
247.20607	14.7
249.22287	1.7
259.20615	5.8
261.22177	15.4
263.23856	1.5
273.05981	1.2
279.23090	1.7
303.23196	2.9
303.26694	1.6
317.24844	3.1
319.22772	3.0
321.24268	82.5
322.24420	2.4
323.25934	6.5
331.26251	3.0
333.24164	4.7
335.25824	78.5
336.26083	3.2
337.27417	7.7
387.28958	1.7
491.06598	1.6
507.41946	2.8
581.45636	23.8
582.45624	1.4
599.46490	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.5354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	6.8
55.05521	21.7
57.03435	9.6
57.07077	4.9
62.76501	4.6
64.81525	3.4
65.03944	6.5
67.05511	91.5
69.03427	9.6
69.07065	24.4
69.18729	27.5
69.19138	12.1
70.07239	4.4
79.05498	53.8
81.03400	8.4
81.07065	100.0
83.04988	9.2
83.08620	12.5
85.02888	4.3
91.05486	53.1
93.07050	75.7
95.08059	8.2
95.08614	80.2
97.02900	6.8
97.06512	8.4
97.10160	5.9
105.04479	4.4
105.07024	44.5
107.08602	35.0
109.06555	4.7
109.10163	29.4
117.07027	19.8
119.08598	28.0
121.06498	5.7
121.10148	32.8
123.11727	12.4
129.07018	10.2
131.08548	33.3
133.10152	26.1
135.11702	19.2
137.38806	4.1
143.08580	7.1
145.06496	5.0
145.10153	19.8
147.11714	18.5
149.13258	12.3
157.10167	7.9
159.11702	20.4
161.13252	10.8
163.11290	5.4
171.11707	4.8
173.13266	12.1
175.14864	5.1
178.61626	4.1
178.76781	4.1
185.13301	5.7
187.14810	7.2
194.69138	3.8
197.13213	5.4
199.62637	5.0
241.19684	4.0
259.20630	5.7
261.22144	18.4
299.23480	4.8
315.22867	5.5
317.24509	5.6
335.25772	84.0
337.27386	11.7
345.24277	6.0
351.23123	4.7
369.24420	7.6
387.24979	6.5
405.26202	8.1
534.74658	4.5
613.47821	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	775.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24601	0.3
61.02911	0.5
61.86824	0.3
66.04843	0.3
69.03442	1.7
70.06590	1.0
71.48787	0.3
72.08186	0.3
73.02892	0.3
78.04698	0.3
81.03414	1.0
84.08128	0.5
85.02911	2.7
86.09709	0.7
91.05468	1.2
97.02879	0.8
98.19407	0.3
103.05434	0.4
104.48798	0.3
105.07008	0.4
109.02888	0.4
115.05461	5.5
117.07022	1.7
123.04446	0.5
125.73263	0.3
127.03943	0.7
131.04979	1.5
133.06464	0.4
137.06049	0.6
138.59315	0.3
143.04912	0.4
145.04922	0.5
145.06483	1.1
147.04434	0.4
155.06068	0.4
158.03651	1.0
159.09097	0.3
161.05998	2.0
167.07024	3.7
171.05548	0.7
173.04617	0.5
173.05988	5.7
173.07382	0.5
174.03137	5.1
181.04939	2.6
189.05527	0.6
202.02621	30.9
203.03000	0.6
205.08745	0.3
217.04971	100.0
218.05322	2.3
221.00554	0.3
259.06024	0.8
274.30130	0.3
335.31955	0.3
361.09030	1.0
378.37460	0.3
379.10156	2.5
385.12640	1.4
385.20535	0.3
417.15317	0.8
613.22632	0.7
621.73041	0.4
775.27814	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.1
55.05515	21.5
57.03439	21.9
57.07081	2.3
65.03936	3.0
67.05511	65.5
69.03418	5.8
69.07085	15.6
71.04988	4.2
71.08636	1.8
71.48662	3.9
77.58000	1.8
79.05074	3.6
79.05499	46.8
81.03425	92.1
81.06595	4.1
81.07057	66.8
83.04987	7.0
83.08153	2.9
83.08618	25.2
85.02897	2.3
85.06528	2.7
91.05489	39.5
93.07043	50.9
95.04387	2.0
95.04980	31.4
95.08615	53.7
97.02889	3.9
97.06511	3.9
97.10162	7.7
105.07033	30.8
107.04949	7.4
107.08604	25.0
109.06500	6.8
109.10162	19.7
111.08123	10.4
115.05469	2.4
117.06995	8.4
119.08598	23.7
121.06532	4.9
121.10141	25.2
123.08049	4.9
123.11672	7.0
125.09622	5.2
129.07002	12.9
131.08577	22.4
133.06477	3.8
133.10146	16.7
135.11716	14.4
137.09682	2.9
142.07784	3.9
143.08519	3.7
145.10130	16.4
147.08041	4.1
147.11728	14.4
149.09598	5.5
149.13300	9.4
157.10172	9.7
159.11734	10.5
161.13229	7.4
163.14804	5.2
165.12819	2.1
171.11649	3.5
173.13316	10.1
174.20911	2.0
175.11183	9.4
175.14812	2.7
177.16432	2.3
187.14853	2.9
189.11223	4.6
193.12263	22.4
211.13278	2.8
227.12833	7.2
239.08000	1.8
243.21088	7.9
249.14766	2.8
259.13278	2.2
261.22101	20.7
267.15930	100.0
268.16147	3.0
301.25238	6.1
309.16995	2.4
317.24692	4.3
335.25821	93.6
336.26053	3.5
390.86288	2.1
421.25641	2.5
435.32831	4.9
453.33499	9.5
471.34689	4.1
527.37366	62.0
528.38348	2.5
545.38428	45.8
546.38873	3.8
569.37872	2.8
607.24994	6.8
608.23517	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	6.9
55.05513	23.5
55.20488	1.2
57.03444	10.4
57.07059	1.6
59.05006	1.9
61.02914	3.0
65.03947	1.9
67.05508	57.3
69.03420	5.3
69.07072	31.7
70.06609	2.0
71.04974	4.6
72.08153	3.2
77.03907	1.3
77.64225	1.3
79.05018	1.5
79.05495	45.1
81.03432	6.9
81.07060	100.0
83.04974	10.1
83.08620	17.5
85.02896	5.0
85.06557	6.6
86.09728	1.3
86.82646	1.5
91.04911	2.3
91.05483	45.9
93.06485	2.6
93.07047	40.1
95.04971	6.3
95.08613	32.9
97.02911	3.8
97.06522	14.0
97.10175	9.4
99.04421	1.4
99.08107	4.2
101.06052	1.4
103.05463	1.4
105.04494	1.5
105.07035	53.4
107.04984	6.5
107.08601	36.3
109.02868	1.9
109.06535	8.1
109.10153	8.8
111.08097	4.2
113.06026	1.3
117.07025	9.7
117.07716	1.6
119.06557	1.1
119.08580	41.5
121.06501	3.2
121.10145	24.6
123.08044	6.6
123.11715	26.2
125.09658	8.9
127.03922	5.6
127.07529	3.4
129.06990	4.0
130.19084	1.2
131.08583	13.2
133.06503	1.7
133.10146	16.6
135.08061	3.1
135.11693	5.8
137.09579	2.0
137.13214	2.5
141.07010	2.1
142.07835	1.6
143.08565	3.0
145.10118	13.7
147.11691	68.4
149.09642	13.2
149.13246	4.5
155.08543	2.4
157.10117	5.2
159.11719	9.8
161.13237	2.6
163.11197	5.9
165.12776	24.8
169.10155	2.1
171.11665	1.9
173.13271	3.2
175.11253	1.7
177.12801	2.6
179.14258	3.2
183.13776	2.9
185.13258	1.9
189.11206	3.6
193.12230	2.6
195.13831	2.2
197.13187	1.7
227.12793	14.2
229.14302	7.1
229.19539	2.9
239.17981	3.8
245.14041	1.4
247.20740	2.2
255.15878	3.9
257.18967	10.6
257.46011	1.4
267.15924	79.4
268.16312	1.5
269.17545	10.2
275.20062	43.3
276.20511	1.5
285.16980	60.1
286.17596	1.5
293.21140	4.7
331.22711	1.4
349.23785	38.5
367.25180	1.5
380.80197	1.3
419.24771	1.4
437.25116	4.7
439.26837	2.7
455.26453	3.8
461.28806	1.6
465.28665	11.8
479.30130	38.0
481.30832	1.4
496.31921	1.5
541.35114	1.4
559.36334	51.0
560.36316	1.9
577.37262	7.4
597.99634	1.4
610.41046	1.5
627.85071	1.5
671.27008	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	8.0
55.05513	23.2
57.03445	12.5
61.02908	4.5
65.03955	3.8
67.05182	4.1
67.05510	58.9
69.03422	4.8
69.07076	29.6
70.06593	2.7
70.09771	9.5
71.05009	5.8
72.08150	5.6
73.02957	2.6
73.29954	2.4
79.05064	4.6
79.05496	44.9
81.03420	11.1
81.06591	5.3
81.07063	100.0
83.04997	12.1
83.08629	13.7
84.75407	2.5
85.02895	4.0
85.06551	8.6
86.09698	4.6
89.32544	2.6
91.05479	46.2
91.74988	2.4
93.07052	48.2
95.04974	7.6
95.08612	36.6
97.02876	4.0
97.06526	13.4
97.10178	3.8
99.04442	3.8
99.08097	4.3
105.06330	2.8
105.07046	47.9
107.04945	5.7
107.08603	34.1
109.06498	7.1
109.10146	8.6
111.08107	3.5
117.07016	10.4
119.08591	42.7
121.06490	3.5
121.10144	26.0
123.08060	8.1
123.11703	26.1
127.07510	3.3
129.07025	4.5
131.08545	8.7
133.10150	13.0
135.08026	3.7
135.11736	13.4
137.61833	2.8
145.10130	9.1
147.11700	59.5
148.08528	2.5
149.09579	5.6
149.13269	10.3
151.11035	2.6
157.10153	3.4
159.11684	8.5
163.11206	3.0
165.12744	21.1
173.13367	2.7
177.12769	4.3
183.13818	4.1
195.13692	3.8
229.14366	4.8
245.48366	2.5
255.15936	7.1
257.18997	3.3
267.15933	78.9
269.17459	29.0
275.20084	16.0
279.47379	2.8
285.16986	53.5
349.23633	17.1
367.24716	5.4
410.16095	2.6
465.28580	19.2
479.30063	96.9
480.30643	7.3
559.36353	20.5
577.36890	6.4
623.34271	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	773.5198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76309	2.6
55.01871	4.4
55.05518	31.9
57.03439	16.2
57.07078	5.8
61.02934	21.6
63.69793	2.5
65.03954	5.7
67.05511	100.0
69.03432	11.1
69.07073	25.2
71.01330	3.3
71.04982	5.8
73.02921	6.5
74.56013	2.5
77.03925	2.8
77.53671	2.8
79.05498	81.5
81.03430	6.7
81.07067	88.9
83.05001	4.0
83.08652	14.5
85.02901	17.2
85.06540	3.1
91.03948	10.1
91.05487	72.1
93.06489	4.9
93.07052	75.2
95.04961	8.8
95.08611	70.1
97.02892	9.8
97.06528	3.9
97.10173	5.3
99.08034	3.5
103.05540	3.3
105.07037	61.0
107.08605	42.4
109.06510	5.6
109.10172	24.9
111.04458	2.7
117.07018	22.5
119.08587	58.6
121.10147	34.3
121.65480	2.6
123.08137	4.3
123.11708	10.8
125.09568	2.9
128.06203	5.4
129.05455	2.6
129.07004	18.9
130.07803	2.7
131.08578	45.1
133.10149	40.8
135.11713	24.9
137.09644	4.1
141.06978	3.0
143.08582	24.1
143.09660	4.2
145.10139	41.9
147.11697	40.1
149.13261	14.3
155.08578	4.6
157.10126	20.4
159.11713	35.6
161.13243	27.1
163.14799	7.8
167.08536	4.3
169.10129	13.0
171.11729	22.4
173.13275	25.5
175.14847	14.7
181.10165	4.1
183.11690	9.7
183.50002	3.1
184.15681	2.7
185.09593	3.8
185.13257	14.3
187.11133	3.6
187.14828	9.7
189.16357	5.5
195.11646	3.3
197.13187	5.9
199.14873	8.9
201.16429	6.2
211.14854	6.5
213.16458	7.8
214.37277	2.6
215.18074	4.1
221.13255	3.1
225.12732	3.2
229.19359	2.9
229.22844	3.6
239.17902	3.5
241.19624	19.3
243.21217	4.8
257.19052	6.0
259.20590	44.4
261.22104	9.5
275.20038	3.2
301.21518	4.5
333.24301	33.1
335.25803	72.0
337.27197	3.0
363.25223	2.8
367.22766	3.7
385.23560	4.0
403.24283	4.4
519.42096	3.6
593.45166	10.0
611.46753	97.5
612.46472	6.6
701.47961	4.1
719.47418	3.5
737.49213	4.7
755.50537	4.4
773.51239	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.5198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88770	2.1
55.01867	5.8
55.05512	34.5
56.82340	1.9
57.03444	14.0
57.07081	4.7
61.02923	13.4
65.03929	3.5
67.05508	100.0
68.90700	2.0
69.03436	10.9
69.07076	27.0
70.73653	3.8
70.73963	2.9
71.04990	5.2
73.02905	8.3
79.05501	83.4
81.03425	10.2
81.07059	90.8
83.04991	5.4
83.08625	15.5
85.02912	16.1
85.06551	4.9
88.54188	2.2
91.03965	6.6
91.05478	67.9
93.07047	77.4
94.07386	2.5
95.04980	10.3
95.08614	72.1
97.02893	12.0
97.06533	7.3
97.10175	5.5
99.08112	4.3
105.04505	4.1
105.07037	61.8
107.04969	3.0
107.08598	44.3
109.06512	4.9
109.10168	29.0
111.04474	2.2
111.08079	2.9
111.13578	2.1
115.05470	3.0
117.07011	25.1
119.08595	58.0
120.08873	2.5
121.06516	3.0
121.10152	41.1
123.08048	4.9
123.11723	9.1
125.09573	2.7
128.06219	6.0
129.07004	15.4
131.08574	42.8
132.00723	2.9
133.10147	41.0
135.08104	4.0
135.11710	27.5
137.13260	2.6
139.11194	2.7
141.07025	5.7
143.08563	19.5
145.10127	37.1
147.08025	4.5
147.11705	30.9
149.09634	4.2
149.13277	15.2
155.08572	8.7
157.10146	18.0
159.11726	35.0
161.13260	27.6
163.11224	4.7
163.14833	6.2
167.08490	2.5
169.10146	10.0
171.08134	2.9
171.11690	21.2
173.13255	23.6
175.11240	2.6
175.14818	19.1
181.10104	8.3
183.11708	6.1
185.13277	15.3
187.14853	8.9
189.12749	2.8
189.16380	2.9
191.97853	2.0
195.11661	3.6
197.13283	6.8
199.14795	8.6
209.13289	6.2
211.14761	3.2
213.16380	5.0
225.16437	4.0
229.19568	2.7
231.21098	4.2
235.14775	2.5
239.18080	6.2
241.19553	25.5
243.21152	4.7
257.19040	8.6
259.20596	47.7
261.22186	8.4
275.20007	6.0
277.21786	2.5
297.22244	2.6
301.21591	6.2
313.21539	3.9
314.95386	2.5
315.23270	4.1
333.24268	34.5
335.25818	72.2
335.29910	3.4
336.26254	5.8
337.27371	3.6
343.22772	3.3
353.28622	3.6
357.24225	3.0
367.22534	5.2
385.23849	3.5
403.24814	3.2
407.28259	2.1
501.41476	3.1
519.42017	7.7
529.38721	3.2
537.43280	3.6
541.39124	2.9
593.45770	12.4
609.44891	4.2
611.46643	97.2
612.46729	7.7
623.46759	3.6
701.46960	5.1
719.48389	4.2
751.33435	2.2
755.50909	3.2
773.51813	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	773.5173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.9
55.08847	1.0
57.03440	2.1
57.07069	1.0
61.02931	7.1
67.05503	5.9
68.39178	1.1
69.03427	3.4
69.07078	2.6
69.93137	3.6
73.02918	5.9
79.05489	3.0
81.03419	2.8
81.07055	5.5
83.08619	1.9
85.02900	5.0
89.54368	1.0
91.03973	3.8
91.05499	1.6
93.07057	4.3
95.08620	4.0
97.02904	6.4
101.02400	2.1
105.07043	1.1
107.08630	1.6
109.10181	1.9
119.08584	1.0
121.10151	2.5
124.19961	0.9
135.11732	1.2
169.14117	1.1
183.55249	1.0
212.28786	1.1
237.33350	1.0
243.08554	1.4
256.43631	1.1
292.03177	1.1
376.04663	1.0
419.90033	1.1
495.29327	3.5
519.29242	9.8
536.85651	1.0
556.57458	1.1
672.09125	1.1
773.51740	100.0
774.52173	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.5197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	4.2
55.05519	36.5
57.03445	18.2
57.07072	8.3
61.02932	19.0
64.14671	2.7
65.03934	7.3
67.05510	96.0
67.28288	2.8
69.03435	8.2
69.07078	24.6
71.05006	5.5
73.02914	7.7
79.05500	82.8
81.03423	5.8
81.07065	100.0
83.08630	11.6
85.02913	17.9
85.06546	4.0
91.03956	5.9
91.05491	81.9
93.07053	84.8
95.04974	11.9
95.08618	81.8
97.02893	13.6
97.06544	3.0
97.10191	6.0
98.25711	3.2
105.07043	75.8
107.08610	51.7
109.06569	4.9
109.10168	27.9
111.08120	3.3
117.07020	30.7
119.08594	59.5
121.10163	36.4
123.08070	3.6
123.11732	8.9
127.03934	3.3
128.06233	4.4
129.06990	16.8
131.08575	42.4
133.10153	45.4
135.08081	4.1
135.11697	27.2
137.13260	5.0
141.07045	4.9
142.07750	5.0
143.08574	25.3
145.10129	41.8
147.11694	42.5
149.09627	3.9
149.13243	16.0
155.08582	8.5
157.10146	21.4
159.11713	34.9
161.13258	26.8
163.14870	6.2
167.08656	3.3
169.10191	10.3
171.11713	25.7
173.13297	23.7
175.11212	3.7
175.14868	16.1
181.10135	5.8
183.11705	7.5
185.13264	19.4
187.14870	10.7
189.16425	3.2
195.11830	3.5
197.13310	8.7
199.14879	12.0
201.12862	4.3
201.16447	8.3
204.21783	3.5
209.13284	3.4
211.14807	6.0
213.16490	5.5
215.14484	3.4
215.17950	4.0
217.16000	3.5
223.14873	3.4
225.16473	5.2
231.21152	5.6
239.17877	4.2
241.19476	26.3
243.21222	5.5
259.20593	47.3
261.22150	10.6
301.21872	4.3
331.22195	3.3
333.24243	34.8
335.22052	5.3
335.25812	71.0
337.27438	5.2
367.22559	5.2
385.23761	5.2
519.41858	4.6
558.65417	3.4
578.42499	3.1
593.45563	10.6
609.45428	4.8
611.46747	97.3
612.46393	4.1
701.47705	4.7
737.49622	6.2
755.49976	4.0
773.51337	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	773.2138
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.01846	0.2
55.05491	0.1
57.03441	1.7
57.90023	0.1
61.02927	0.5
62.58482	0.1
65.03912	0.2
68.99767	0.4
69.03433	1.3
69.95084	0.5
71.01345	0.1
71.04997	8.2
73.02878	0.3
75.04446	0.4
81.03426	0.7
83.04951	0.5
85.02910	11.6
87.04434	0.3
91.03905	0.1
93.03365	0.2
97.02909	1.1
99.04430	0.2
102.71701	0.1
107.10188	0.1
109.02884	0.6
111.00793	0.7
111.04408	0.4
111.13559	0.1
118.70431	0.1
121.02864	0.8
123.04425	0.2
127.03931	0.9
129.05484	2.6
135.04388	0.2
137.01379	0.2
137.02348	2.5
137.03395	0.1
145.04970	0.6
147.06520	0.7
149.02324	0.4
153.00580	0.2
153.01825	2.4
161.05983	0.2
163.03899	0.6
163.06032	0.1
165.01846	1.8
166.02632	0.2
173.05940	0.3
183.02893	0.5
187.03879	0.2
188.09740	0.1
191.03311	0.1
195.02870	0.3
201.05513	1.2
219.02910	0.1
219.06543	0.4
229.05000	3.5
230.05289	0.1
239.03467	0.2
247.05992	0.6
257.04492	2.6
274.04849	0.8
275.05334	0.1
285.04007	1.3
303.05002	100.0
304.05325	3.1
315.04883	0.2
318.03729	0.1
345.05984	0.5
369.06000	0.2
449.10767	0.2
465.10333	20.6
466.10516	0.9
656.77594	0.1
695.45026	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	772.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04516	5.0
67.38514	2.2
70.02946	3.0
71.48710	3.6
76.99605	2.2
105.94111	2.6
112.11085	2.3
119.07323	15.9
134.06009	7.8
135.06813	14.9
146.06000	2.7
159.06799	3.9
163.03966	3.1
237.09047	5.3
241.08588	7.0
252.10233	3.2
254.11697	4.7
269.12878	11.8
270.11252	14.3
278.11810	2.4
280.09601	3.7
293.12762	4.8
294.11072	3.4
298.10751	5.3
303.05057	3.1
311.13873	5.6
315.13428	24.3
327.08350	2.3
339.13297	11.2
357.14557	3.0
367.12906	9.4
385.13947	58.2
412.14740	12.7
413.13333	3.7
430.16125	100.0
463.56836	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	771.5043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.4
55.05276	0.9
55.05517	12.1
57.03450	4.5
57.03667	0.7
57.07073	1.6
58.91682	0.7
60.02050	0.7
61.02934	17.7
62.36583	0.6
65.03944	1.7
67.05508	21.9
69.03437	8.4
69.07072	7.9
69.16240	3.4
69.16663	4.5
71.01364	1.3
71.04987	2.4
73.02913	7.5
74.99625	0.7
79.05499	14.7
81.03436	4.3
81.07066	21.8
83.04977	2.2
83.08632	5.3
85.02910	14.1
85.06557	1.3
91.03963	7.8
91.05490	14.1
93.07053	16.8
95.04954	2.1
95.08615	16.5
97.02896	11.6
97.06552	1.7
97.10168	2.5
101.02402	2.0
103.05495	0.8
105.07034	13.7
107.05002	1.0
107.08606	10.2
109.02838	1.1
109.06496	1.2
109.10169	6.5
111.08098	1.0
115.05483	1.0
117.07031	8.6
119.08589	11.5
121.10162	8.0
121.19675	0.7
123.11744	2.0
125.09617	0.9
127.03960	2.3
128.06248	2.7
129.05495	1.1
129.07022	8.6
130.07846	1.1
131.08580	11.5
133.10158	9.0
135.08012	1.1
135.11717	4.9
137.09619	0.8
141.07007	5.0
142.07777	2.2
143.08566	12.3
145.04980	1.0
145.10127	12.2
147.11731	5.3
149.13234	1.7
153.07018	1.2
154.07755	1.3
155.08577	8.6
156.09416	2.3
157.10143	10.1
159.11736	8.7
161.13289	3.1
163.14845	1.3
165.07126	1.3
167.08594	5.2
168.09273	2.0
169.10147	11.7
171.11687	9.4
173.13251	4.8
175.14902	1.1
177.16484	0.8
179.08574	1.3
180.09364	1.5
181.10164	7.1
182.11037	1.2
183.11708	12.0
185.13280	7.9
187.14861	2.9
189.16383	1.1
193.10205	2.2
195.11713	7.6
197.13269	8.2
198.14188	0.7
199.13278	1.0
199.14911	4.9
201.12662	0.9
201.16492	1.7
205.10146	0.9
207.11777	3.1
209.13283	5.3
211.14821	5.5
213.16463	3.3
219.11697	1.4
221.13295	1.6
223.14844	4.3
225.16344	4.1
227.18002	2.2
233.13136	1.1
235.14948	1.7
237.16454	2.6
239.14241	0.9
239.17993	2.9
249.16484	1.0
251.18005	1.5
253.19627	1.8
263.17865	1.2
265.19565	1.6
277.19595	1.0
295.20920	1.1
297.18616	0.9
297.22141	1.0
313.21802	1.0
323.23776	1.6
337.25354	0.8
339.23196	0.8
351.26974	1.8
379.26358	1.0
391.30432	1.0
407.29202	0.8
447.32370	1.5
499.39474	0.9
501.35501	1.6
517.40692	5.9
519.84241	1.0
525.35297	0.8
527.37225	1.1
535.41864	2.0
539.37659	1.7
540.37848	1.2
541.39288	1.2
553.39948	1.0
573.42926	1.2
591.43964	6.5
592.25751	0.9
607.44104	2.1
609.45172	100.0
610.45660	7.3
621.45258	1.6
651.46246	1.2
717.47070	1.1
735.47455	1.4
745.96899	1.0
753.49133	2.3
771.38049	1.3
771.50641	17.3
772.50586	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.5778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	12.1
57.03430	8.9
57.06829	2.6
57.07079	29.5
60.80053	1.8
63.16371	2.0
65.03938	2.1
65.58968	1.8
67.05506	45.5
69.07068	16.0
71.08628	21.4
71.49239	3.5
78.56651	2.0
79.05499	20.1
81.07059	47.3
82.07384	2.0
83.08617	9.9
85.06528	2.2
85.07655	3.2
85.10175	13.8
89.05986	2.2
91.03958	2.7
91.05479	13.5
93.07041	29.5
95.08610	43.2
97.10174	6.1
105.07009	10.4
107.08578	11.9
109.10148	20.0
117.07011	2.7
119.08572	7.8
121.10142	13.0
123.11713	5.3
131.08583	8.2
133.10147	6.3
135.11687	8.1
137.13200	2.6
141.17996	2.2
145.10146	5.4
147.11664	3.9
149.13271	7.9
159.11717	5.3
161.13261	4.0
163.14822	4.1
173.13158	2.7
173.23598	1.9
179.47958	2.2
180.06543	1.9
239.23665	3.2
243.21098	8.8
257.24585	2.3
261.22180	32.1
313.27359	100.0
314.27661	4.4
317.24722	7.1
335.25793	78.3
336.26208	3.5
573.48822	32.0
591.49768	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	768.5622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05269	2.5
55.05512	25.9
57.03443	15.3
57.07078	9.9
60.15035	1.5
61.02911	4.0
65.03929	2.3
67.05509	57.1
69.06740	2.9
69.07077	32.2
69.17176	17.2
71.04989	1.8
71.08633	3.7
78.35084	1.5
78.71980	1.5
79.05495	34.9
79.05931	3.7
81.07061	67.2
83.04989	2.3
83.08228	1.9
83.08632	19.1
85.02905	2.7
91.05482	12.3
93.07048	40.5
95.05029	2.4
95.08611	45.8
97.06561	2.5
97.10173	12.6
105.07024	7.5
107.08597	27.4
109.00511	1.7
109.10172	19.8
111.08082	2.8
111.11730	3.6
117.07032	2.5
119.08617	9.7
120.23313	1.6
121.10149	24.7
123.11686	6.9
131.08559	6.9
133.10118	8.0
135.11705	16.2
137.13287	2.1
145.10150	4.6
147.11710	2.7
149.13255	7.5
159.11679	5.3
161.13272	5.1
163.14828	5.4
173.13193	2.5
175.14883	2.5
187.14833	2.8
195.00418	2.9
219.21220	3.0
237.22115	3.0
243.21118	8.4
257.68723	1.7
261.22141	28.2
311.25806	100.0
312.26010	2.8
317.24881	8.4
335.25815	76.3
336.26248	2.2
337.27383	2.8
476.75610	1.8
497.43027	2.2
571.47278	39.5
589.47980	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	764.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.5
55.05513	9.0
57.03429	1.2
57.07076	1.7
59.04993	0.6
61.02923	1.1
67.05510	6.7
68.99799	0.8
69.03432	7.6
69.07071	90.6
70.06601	1.8
70.07401	0.6
70.64548	0.8
71.04988	1.9
72.08131	0.4
73.02909	0.9
73.06559	4.4
79.05490	1.3
81.03423	5.1
81.06590	0.6
81.07061	10.0
83.08615	1.6
84.08158	0.7
85.02907	12.9
85.06522	0.8
86.09705	0.9
87.00838	4.5
87.04480	8.3
89.06035	100.0
90.06358	0.6
91.05485	0.8
91.07599	0.6
93.07066	0.9
95.07996	0.6
95.08612	10.6
97.02891	4.1
97.10169	0.5
99.04457	2.4
103.05470	1.3
105.01880	2.3
105.07023	0.6
107.07076	1.5
107.08538	0.5
107.21294	0.4
109.02883	4.8
109.10153	3.2
111.04409	0.4
111.11726	37.9
112.12032	0.5
114.54530	0.4
117.01852	0.7
117.09151	3.5
118.12286	0.3
119.04945	0.5
120.08108	0.4
127.03922	7.1
129.01825	0.7
130.08708	0.6
131.04951	2.1
131.07050	2.5
132.29974	0.4
133.08606	61.0
134.08966	0.4
135.10175	0.7
135.11697	0.9
137.05975	3.8
137.13258	4.0
145.04987	1.5
147.04440	0.5
148.05138	0.4
151.03923	4.1
151.09679	1.3
153.05417	0.7
155.14325	1.9
159.02943	1.8
159.04178	0.4
161.11777	0.8
163.07584	1.4
167.06984	0.8
175.07529	0.5
175.09673	1.1
177.01537	0.4
177.11229	29.8
179.12773	0.4
181.04953	1.5
191.07062	5.4
195.12250	1.2
199.16946	5.3
203.07149	0.4
213.04053	0.5
217.18102	0.5
221.13849	7.3
223.15337	0.5
227.94350	0.4
231.05020	0.5
233.08235	0.5
239.14944	1.7
243.19580	11.6
263.09195	1.5
265.16470	2.7
283.17453	3.3
287.22205	1.2
305.23132	0.9
309.19138	1.7
327.20035	3.5
349.26044	1.2
353.21722	1.2
355.11923	0.7
369.13510	0.6
371.22772	18.1
372.23093	0.5
381.60577	0.4
387.14435	2.9
393.28384	1.9
437.30954	2.4
481.33737	72.3
482.34058	2.2
499.27448	0.4
499.34778	8.0
584.24878	0.4
605.42596	0.4
671.33014	0.5
762.85004	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.1
55.05507	1.2
57.03445	2.0
61.02931	5.6
67.05506	5.6
69.03433	3.2
69.07082	1.6
70.65640	1.0
71.01345	0.4
71.04993	3.4
73.02921	4.1
74.54717	0.3
79.05498	2.9
81.03447	1.7
81.07066	6.5
83.08640	0.6
85.02915	5.4
85.06554	0.4
87.04516	0.5
91.03975	3.9
91.05489	2.8
93.07051	4.6
95.04946	0.4
95.08604	3.2
97.02895	4.6
97.06524	0.8
99.04471	0.9
101.02400	2.2
101.23108	0.3
103.03899	0.4
105.07058	1.5
107.08580	2.1
109.02917	0.8
109.10180	0.8
111.08107	0.4
115.03902	0.7
117.07033	0.6
119.08617	1.1
121.10162	1.5
123.11726	1.2
127.03908	1.7
129.05434	0.4
131.08607	1.3
133.10143	2.4
134.10439	0.4
135.11752	1.3
145.10097	0.5
149.13295	0.8
151.11214	1.0
159.11710	0.7
161.13290	0.4
185.04199	0.5
212.09256	0.4
221.74289	0.3
227.20049	0.4
243.08388	1.9
257.17484	0.5
267.15814	1.4
335.25909	0.5
441.20657	0.4
453.21237	0.4
485.23486	6.4
485.29819	0.6
519.29272	6.8
728.43958	0.4
751.56342	0.4
763.46069	100.0
764.46338	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	763.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
55.05522	1.1
55.88708	0.8
57.03437	1.4
58.75087	0.7
60.45449	0.6
61.02939	4.5
67.05511	5.8
68.16590	0.7
69.03427	3.0
69.07076	1.4
70.06586	0.7
70.78645	1.5
71.05002	0.8
73.02912	4.4
79.05496	3.6
81.03431	2.1
81.07063	5.5
83.05035	0.8
84.97236	0.7
85.02903	4.2
91.03968	3.9
91.05489	2.5
93.07063	4.1
95.08615	3.2
97.02917	3.4
99.04457	0.8
101.02376	1.5
105.03415	1.7
105.07034	1.6
107.08572	1.8
109.10162	1.3
117.06991	0.8
119.08587	0.9
121.10163	2.0
127.03945	1.2
131.08542	1.1
135.11758	1.3
145.10172	1.4
149.06009	0.8
161.17052	0.7
163.11218	1.0
242.35649	0.8
243.08443	1.4
244.34732	0.7
256.26312	0.9
467.39569	0.8
474.60944	0.8
485.19815	3.0
519.29181	6.7
763.42206	100.0
764.42767	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	763.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.6
55.01874	0.6
55.05516	1.3
57.03443	2.0
60.08317	0.4
61.02934	5.2
65.03944	0.6
67.05508	4.3
69.03444	2.6
69.07072	2.0
69.67000	2.1
71.01372	0.5
71.04985	0.8
72.08165	0.6
73.02916	4.1
77.66022	0.4
79.05507	4.2
79.18069	0.4
80.50097	0.4
81.03420	1.6
81.07060	4.9
83.04996	0.8
83.08636	1.0
85.02918	5.9
91.03960	3.1
91.05482	3.8
93.07052	3.7
95.05004	0.7
95.08614	3.1
96.45884	0.4
97.02896	5.3
99.04433	1.0
99.55264	0.4
101.02372	1.7
105.07052	3.6
107.08595	2.1
109.02898	0.6
109.10172	0.8
117.07030	1.1
119.08579	2.3
121.10165	1.8
123.11723	0.6
127.03941	1.6
129.05495	0.5
129.07022	0.6
131.08623	0.9
132.59143	0.4
133.10158	2.0
135.11716	1.2
141.53580	0.4
145.10156	1.0
147.11700	3.4
157.10313	0.5
159.11670	0.6
165.12804	1.7
171.11740	0.8
185.04167	1.1
203.05351	0.7
226.27870	0.4
243.06386	0.7
243.08354	2.9
251.12598	1.5
279.66290	0.4
301.09030	1.4
351.19241	0.5
363.17999	0.5
373.10947	0.6
425.22073	0.4
429.17426	0.6
463.27917	0.4
469.20383	8.2
517.27661	1.1
535.28906	6.0
541.22449	1.0
665.34369	0.6
745.41339	11.9
746.41858	0.6
763.42383	100.0
764.42932	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	763.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05530	0.9
56.96568	1.7
61.02890	1.0
69.91361	4.0
77.38371	0.9
79.05494	1.1
80.75787	0.9
81.07056	1.6
82.49221	0.8
91.05508	1.2
95.08623	1.0
97.02917	0.8
99.28941	1.0
241.11201	1.2
259.12262	1.2
285.10141	1.1
304.12207	1.0
313.81866	0.9
347.69229	0.9
485.17148	5.9
634.28070	1.1
763.40222	100.0
764.40698	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	760.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04982	1.4
67.05502	3.1
69.03432	2.1
69.07072	2.3
71.48302	1.8
74.32401	1.0
79.05521	2.5
81.07053	4.6
82.07426	1.6
83.08611	1.4
85.03825	1.1
87.04473	100.0
91.05456	2.0
93.07040	3.4
95.08607	2.1
96.08884	1.2
105.07013	2.2
107.08591	2.2
117.06966	1.0
130.04985	3.4
133.10094	1.3
173.15668	1.2
251.91219	1.2
252.43306	1.1
269.17554	1.8
270.17828	1.1
276.20459	1.3
328.13141	1.3
364.87161	1.1
385.12909	5.0
386.13843	6.5
387.14420	1.1
398.13986	1.8
399.14484	8.2
400.15384	25.6
401.15933	9.4
410.13171	1.4
411.13879	2.6
412.15347	2.8
413.16086	7.8
414.16901	8.7
415.17700	2.5
424.14505	2.9
425.15036	4.2
426.16519	1.8
427.17517	4.7
428.18512	6.1
429.19302	23.9
430.19693	2.9
437.16113	1.5
438.16827	1.4
439.16858	1.8
441.19254	3.3
454.18802	2.2
455.17496	1.3
456.17944	2.2
457.18503	2.2
464.30753	2.6
466.18835	3.3
469.18985	2.4
480.17264	2.2
481.17334	1.4
483.15875	1.2
488.20670	8.1
494.18591	1.8
502.22128	1.8
512.20135	1.2
514.22174	1.4
515.22742	2.4
516.23700	10.3
517.24530	8.8
531.22388	3.4
539.18866	1.7
542.23480	2.5
543.22498	6.1
544.23322	12.0
544.36420	1.4
545.23816	13.6
553.21008	1.6
554.21692	2.5
555.22308	1.6
561.23480	1.7
571.21649	4.2
585.22943	4.9
587.24115	4.1
589.22845	4.6
603.23755	1.8
613.22839	2.0
629.28943	1.8
656.26984	2.5
657.20868	2.0
684.26453	1.4
688.29810	17.1
689.29291	1.7
714.72205	1.3
716.29309	80.9
717.29114	5.5
742.26978	2.4
759.06610	1.2
760.27905	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	759.4289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
55.05510	2.2
57.03428	1.6
61.02928	4.1
65.03949	0.6
67.05506	8.4
68.05805	0.5
69.03424	3.2
69.07063	1.5
69.32774	0.9
69.33192	2.3
71.04990	2.0
73.02922	3.1
79.05492	4.7
81.03416	2.0
81.07056	9.2
82.07373	0.8
83.08628	0.8
83.99740	0.4
85.02909	4.3
85.06549	0.7
87.04468	0.5
91.03978	2.6
91.05470	4.4
93.07047	5.8
94.07371	0.6
95.01276	0.4
95.04980	1.1
95.08606	4.7
97.02887	4.6
98.21470	0.7
99.04407	1.0
101.02385	2.0
105.07040	1.8
107.04967	1.3
107.08622	2.4
109.10168	1.3
117.07058	1.2
119.03471	0.4
119.08578	1.4
121.10168	2.6
123.08133	0.5
123.11716	1.0
127.03914	1.2
131.08592	1.6
133.10135	1.9
135.11716	1.6
141.07051	0.4
145.06488	0.7
145.10136	0.6
149.13272	1.1
151.07530	0.4
156.03372	0.4
159.11710	1.2
177.12810	0.7
185.04202	0.6
187.11224	0.9
203.05333	0.6
243.08372	0.9
263.12656	1.7
301.20178	0.8
335.25952	1.7
336.26163	0.7
419.06870	0.4
472.03195	0.4
481.20496	8.5
503.37494	0.9
504.37494	4.1
519.29376	4.1
530.39740	0.5
561.42316	0.7
562.41895	3.8
643.37054	0.4
759.42963	100.0
760.43176	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	758.5049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.3
55.01874	1.4
55.05516	12.8
55.06710	0.8
57.03445	4.9
57.07063	2.2
59.05006	0.9
61.02924	1.9
63.73290	0.8
65.03948	3.9
67.05508	67.8
69.03407	2.0
69.07073	10.6
71.04999	18.4
71.14088	1.9
77.06416	0.8
79.05498	34.2
81.03413	1.9
81.07063	94.3
83.05012	3.9
83.08621	9.2
85.02908	2.7
85.06552	7.5
91.03994	1.4
91.04920	1.0
91.05490	26.3
93.07050	38.9
95.04960	3.4
95.08614	26.8
97.02872	1.0
97.06508	4.1
97.10173	1.4
99.08054	1.9
105.07032	19.6
107.08603	20.2
108.15731	0.8
109.06549	1.9
109.10167	12.3
111.08071	1.1
117.07027	4.4
119.08595	8.2
121.10156	16.8
123.08073	1.4
123.11711	12.7
125.09644	0.8
127.03911	0.9
131.08569	7.6
133.10146	18.1
135.11691	8.7
145.10139	6.0
147.11702	4.1
149.13252	5.8
149.82730	0.8
151.11203	6.8
157.10141	1.0
159.11725	6.0
161.13266	3.3
169.12213	0.9
173.13272	2.8
175.14766	1.4
177.12782	2.1
183.11571	0.9
183.13937	1.7
185.13341	0.9
187.13297	2.6
187.14813	1.4
195.13762	1.7
201.14606	0.7
227.16521	1.3
243.15872	0.8
257.17520	1.1
261.22131	2.9
263.88022	0.8
269.17505	6.0
301.20117	15.3
317.24872	1.7
335.25839	31.3
335.29904	1.5
336.25967	1.0
380.60559	1.0
411.32910	1.1
437.33841	1.3
485.36194	2.7
503.37350	98.0
504.37732	3.8
509.75150	0.9
517.39319	4.0
529.39020	13.6
561.41547	100.0
562.41943	4.8
721.64325	1.0
758.44415	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4716
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76742	2.5
53.03950	8.3
55.01871	11.6
55.05507	21.0
57.03447	17.5
57.07065	2.7
60.64505	2.9
65.03945	6.9
67.05510	85.8
69.03426	4.0
69.07075	20.6
71.04996	6.0
71.48884	4.8
72.77216	2.7
79.05495	81.2
81.03432	13.5
81.07059	83.4
83.04987	21.4
83.08617	9.4
85.02901	7.9
85.06551	7.9
91.05485	50.4
93.07051	75.7
95.04974	19.3
95.08607	52.1
97.02873	3.4
97.06532	19.4
99.04445	4.4
105.07036	26.2
107.04960	36.9
107.08591	40.5
109.06521	7.0
109.10168	20.9
111.04434	29.3
111.08080	15.0
112.14990	3.4
114.56927	3.0
117.07022	23.3
119.08591	32.7
121.06558	4.5
121.10151	55.9
123.08064	5.6
123.11684	6.1
129.07016	9.5
131.08586	24.0
133.06482	2.9
133.10132	12.3
135.11697	36.9
143.08574	5.1
145.06479	8.6
145.10126	49.0
147.08063	4.4
147.11710	12.3
149.09610	5.7
149.13269	5.0
153.12764	10.5
155.08554	11.2
157.10164	7.0
159.11726	6.9
161.13216	3.5
163.11189	38.7
171.11659	4.2
173.09636	32.4
173.13284	6.8
174.05498	3.1
181.12256	19.0
183.11626	2.7
191.10695	25.9
198.12582	2.8
209.11678	18.1
227.12733	24.4
238.96802	3.3
243.20999	4.4
261.22205	19.0
265.14359	49.5
267.16022	4.0
268.13422	3.5
283.15430	95.8
284.15735	3.6
286.14594	4.3
301.16483	100.0
302.17059	3.5
317.24857	5.0
335.25824	79.2
402.71948	3.2
403.17590	2.9
423.32718	3.6
451.32202	5.4
469.33414	4.5
487.34329	3.1
515.37213	9.8
525.35547	15.2
540.19427	2.9
543.36835	51.5
544.37097	3.3
561.37903	55.6
699.40656	3.7
758.44641	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	9.7
55.01867	10.5
55.05512	19.7
57.03448	15.8
57.07065	4.7
61.02930	4.8
65.03934	6.4
66.46662	2.4
67.05506	100.0
69.03412	3.6
69.07070	24.1
69.83672	4.7
69.84090	9.3
71.04987	6.1
72.55318	2.7
79.05496	84.8
81.03416	12.7
81.07059	84.4
82.07372	2.6
82.54063	2.4
83.04971	22.0
83.08642	11.7
85.02902	7.8
85.06523	6.0
91.05479	43.1
93.03350	2.5
93.06490	5.1
93.07053	85.1
95.04994	19.3
95.08615	55.6
96.44724	2.3
97.02877	5.3
97.06547	14.1
97.10154	2.8
99.04488	3.9
99.08073	4.0
105.07035	29.8
107.04968	32.9
107.08600	42.6
109.06514	6.8
109.10165	24.1
109.75256	2.3
111.04433	24.5
111.08070	10.1
117.07021	20.2
119.08582	28.9
121.06525	5.3
121.09329	4.7
121.10147	51.9
123.04488	2.5
123.11702	6.9
125.09792	2.3
129.07031	12.2
130.07823	2.4
131.08578	26.2
133.10152	14.2
135.08063	3.8
135.11690	51.7
143.08623	4.1
145.06477	8.6
145.10118	44.3
147.08098	2.9
147.11690	10.3
149.09624	8.9
149.13255	6.4
153.12753	14.7
155.08578	13.6
157.10237	4.4
159.11685	9.1
161.13258	6.5
163.11189	42.2
163.14815	4.0
169.10204	4.2
173.09628	29.6
173.13287	8.0
181.12254	15.3
191.10655	22.8
204.62067	2.8
209.11781	12.0
227.12819	14.2
243.21141	7.0
259.20578	4.2
261.22186	17.9
265.14359	38.2
267.15781	2.4
275.96747	2.5
279.23355	3.4
283.15387	93.7
301.16467	60.8
317.24765	5.8
327.63730	3.2
335.25806	93.7
423.32181	4.5
433.30988	3.7
451.32361	4.8
507.34232	3.7
515.37256	9.6
525.35895	14.0
543.36786	67.2
544.37152	4.3
561.37872	80.7
562.38086	5.2
608.87817	2.8
699.40668	3.3
758.43872	8.9
759.42957	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	758.4691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.3
55.01857	2.5
55.05509	20.6
57.03436	10.3
57.07068	2.6
59.10006	2.0
61.02925	3.8
65.03933	4.7
67.05510	51.9
69.07079	19.9
69.43487	16.5
71.05000	4.2
79.05501	47.0
80.57919	2.4
81.03397	3.1
81.07063	100.0
83.04982	6.3
83.08605	8.6
85.02924	3.4
85.06537	5.5
91.05478	59.6
93.07054	38.7
95.04955	4.7
95.08617	29.6
97.06528	7.9
98.21525	4.5
99.08090	5.8
105.07040	69.9
107.08610	29.8
109.06557	4.1
109.10152	7.2
117.07016	9.4
119.08589	61.2
121.10143	30.2
123.08078	6.6
123.11707	25.9
127.07543	2.5
129.06999	9.6
131.08557	17.6
133.10136	29.7
135.11703	13.2
137.13330	2.6
143.08524	4.7
145.10149	13.5
147.11703	83.0
149.13248	7.6
157.10185	6.0
159.11708	13.5
161.13277	19.6
165.12741	22.8
169.10138	2.7
171.11700	8.2
173.13235	6.0
174.05360	2.6
175.14813	8.4
183.13916	3.2
185.13292	4.0
229.14436	7.2
231.21118	5.1
241.19496	22.0
259.20587	59.5
260.21002	4.0
267.15933	42.6
269.17459	5.1
277.21661	7.9
285.16974	70.1
315.23187	5.5
333.24243	60.0
334.24701	2.8
351.25113	8.0
463.30505	6.2
525.35657	7.3
543.36804	29.4
561.38080	17.7
721.77759	2.8
739.74890	2.5
758.43616	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	757.5252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.9
55.01868	5.5
55.05515	29.8
57.03434	11.9
57.07062	7.3
65.03947	7.1
67.05510	100.0
68.11752	2.9
69.03440	25.2
69.07078	25.0
71.04996	5.7
71.21703	6.6
72.08140	4.1
79.05499	77.9
81.03405	15.1
81.06599	6.3
81.07061	94.6
83.04971	7.6
83.08617	12.4
85.02888	7.2
91.05492	64.2
93.07059	71.0
95.04955	15.8
95.08611	63.0
97.02901	8.6
97.06529	4.9
97.10161	5.8
99.08118	5.6
102.90134	3.1
105.07031	46.8
107.04975	7.6
107.08600	40.1
109.02892	7.9
109.06516	8.8
109.10155	30.7
111.04434	8.1
111.08088	7.2
113.00028	8.9
115.05468	4.8
117.07016	27.9
119.08591	36.3
121.10146	32.5
123.08039	5.4
123.11709	8.2
129.05455	3.3
129.06998	14.4
131.08585	31.9
133.10129	27.2
135.08070	9.7
135.11699	18.1
137.05998	3.8
137.09636	4.0
141.06966	7.0
143.08568	10.1
145.10162	22.8
147.05577	3.1
147.07993	6.0
147.11673	23.8
149.09650	7.2
149.13246	12.0
151.07521	3.6
151.11140	3.9
155.08665	5.0
157.10146	9.5
159.11691	20.9
160.30585	3.2
161.13254	11.2
163.14740	5.1
167.08632	4.4
169.10133	3.7
171.11656	4.9
173.09587	4.9
173.13268	14.6
183.11700	6.2
185.09618	3.5
185.13246	4.8
187.11195	4.1
187.14886	5.1
199.14809	5.2
225.16409	3.4
253.19630	3.2
259.20529	6.3
261.22144	14.5
277.21512	5.5
289.21628	6.0
301.21747	5.2
319.22757	3.8
331.26224	4.3
332.26697	7.9
335.25867	37.8
341.24792	4.9
351.23019	4.4
353.62698	3.4
369.24240	13.5
387.25253	12.7
393.26166	4.1
432.77429	3.8
443.27560	4.6
461.28876	4.8
479.30240	7.5
645.53735	11.9
679.48767	3.9
757.51843	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	757.2188
Annotation	Kaempferol 3-glucosyl-(1->4)-rhamnosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
53.03928	0.3
55.01846	0.3
55.05486	0.2
57.03442	1.2
61.02893	0.4
63.71749	0.2
68.99792	0.2
69.03430	1.1
70.06569	0.7
71.04997	7.3
72.08108	0.2
73.02908	0.4
75.04446	0.4
79.05484	0.2
81.03373	0.7
83.04954	0.4
83.85423	0.1
84.08125	0.4
85.02911	9.9
86.09682	0.3
87.04422	0.3
90.58427	0.1
91.05375	0.1
93.19631	0.2
97.02898	1.0
98.20702	0.3
99.04417	0.3
105.03400	0.3
107.04922	0.3
109.02839	0.5
111.00751	0.6
111.04435	0.2
115.05437	0.2
121.02868	2.1
127.03922	0.7
129.04677	0.2
129.05501	2.0
131.04848	0.2
133.02849	0.4
136.07512	0.2
137.02304	0.5
145.04951	0.5
145.06401	0.2
147.04388	0.5
147.06471	0.6
153.01843	1.9
163.03935	0.2
165.01852	1.1
169.06308	0.2
183.02873	0.7
185.05949	0.4
187.03882	0.6
188.79112	0.2
199.19882	0.2
213.05492	0.9
231.06497	0.4
241.04970	0.6
258.05322	0.8
259.06036	0.2
287.05505	100.0
288.05887	2.4
293.42020	0.2
299.05527	0.2
329.06677	0.5
369.02667	0.2
449.10837	20.2
450.11008	0.8
472.91641	0.2
548.21570	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.5088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	16.3
53.21067	3.1
55.01872	9.7
55.05268	4.3
55.05515	42.8
57.03430	22.3
57.07071	9.6
65.03940	7.2
67.05510	96.1
69.03443	19.2
69.07067	30.9
69.17853	6.4
69.18266	27.4
71.04991	6.6
73.02934	4.5
77.03919	2.9
79.05502	100.0
81.03419	19.1
81.07069	95.4
83.04989	9.4
83.08633	13.6
84.24395	2.9
85.02891	15.4
85.06549	4.3
87.04452	3.0
91.05490	92.6
93.07052	96.2
95.04980	20.6
95.08611	66.7
97.02911	10.9
97.06520	10.4
97.10191	4.7
103.05474	4.6
105.04484	4.8
105.07040	76.4
105.07698	5.5
107.04958	12.6
107.08603	50.9
109.02891	13.2
109.06533	11.1
109.10181	25.7
111.04458	5.2
115.05480	9.9
117.07041	39.9
119.04913	4.0
119.08591	53.8
121.06548	11.1
121.10159	37.6
123.08083	8.2
123.11707	7.7
127.03906	4.6
128.06245	11.6
129.07018	34.9
131.05013	4.6
131.08577	62.0
133.06534	5.4
133.10150	39.3
135.08101	8.7
135.11703	24.5
137.05983	3.7
137.09593	5.5
137.13240	4.4
141.07001	13.9
142.07780	6.7
143.08575	33.4
145.06502	11.0
145.10143	50.3
147.08081	9.3
147.11684	29.9
149.09615	9.2
149.13274	11.1
151.11131	3.5
153.07008	7.4
155.08562	18.9
156.09387	3.8
157.06540	4.1
157.10141	31.3
159.08086	12.5
159.11720	30.3
161.09633	7.2
161.13319	16.1
163.11186	6.4
165.06990	5.5
167.08606	11.6
169.10121	18.1
171.08046	5.6
171.11711	26.0
173.09608	10.6
173.13329	17.9
175.11124	5.7
175.14874	8.7
177.12674	4.0
179.08624	6.0
181.10150	14.0
183.08046	5.5
183.11723	13.8
185.09645	8.6
185.13243	10.6
187.11160	10.9
187.14882	6.7
189.12677	4.0
191.14291	4.1
195.11736	6.8
197.13266	13.7
199.11325	4.4
199.14845	10.2
201.12823	10.4
207.11758	7.2
209.09615	5.2
209.13229	10.6
211.11234	5.5
211.14861	5.3
213.16345	5.1
215.14418	4.3
223.14839	6.1
225.12749	6.9
227.17889	3.6
241.19582	5.1
243.20976	5.3
257.19080	4.2
257.77997	3.1
259.20544	15.7
261.22147	8.3
269.15668	3.1
271.20609	5.2
273.18726	3.3
281.19266	4.8
283.20462	3.3
287.20041	6.4
297.21948	3.9
301.21545	10.5
313.21637	10.5
321.22321	5.1
325.21613	11.1
329.21210	5.8
333.24213	6.0
335.25806	53.2
339.23160	6.3
343.22647	7.4
349.21762	10.0
355.22940	4.1
356.63364	2.9
367.22650	31.1
369.24039	4.3
375.25406	5.0
385.23776	21.5
387.25055	6.3
387.29376	5.7
403.24823	10.4
417.26755	4.7
441.26434	12.1
459.27457	9.5
477.28574	11.1
593.45770	4.6
635.46729	6.8
677.47119	4.8
689.47565	8.4
701.47821	23.8
719.48999	17.7
737.49841	19.3
755.51196	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	751.5351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	3.9
55.05503	15.7
57.03426	13.4
57.07080	50.6
61.02919	4.5
66.82230	3.7
67.05515	47.0
69.07080	22.3
71.08641	26.2
71.24969	3.3
71.49312	4.8
73.02905	4.4
79.05495	34.7
81.07061	52.9
83.08609	10.6
85.02910	5.4
85.10184	13.5
87.04471	7.7
91.05491	44.5
93.07057	43.8
95.04951	5.8
95.08606	48.6
97.06529	5.2
97.10167	5.9
105.07035	54.3
107.08615	23.4
109.10178	18.6
117.07036	10.7
119.08583	40.8
121.10146	18.5
123.08076	5.5
123.11728	6.5
128.06209	6.1
129.06989	7.3
131.08595	17.6
133.10129	39.7
135.11684	17.1
143.08577	11.0
145.10136	22.6
147.11708	32.0
149.13222	10.8
155.08681	4.1
157.10097	15.6
159.11696	19.0
161.13274	29.6
171.11676	13.2
173.13284	13.8
175.14809	11.9
185.13280	10.9
197.13182	4.6
199.14734	5.8
231.21109	8.8
241.17390	5.1
241.19463	30.0
259.20569	77.2
306.79144	3.6
313.27390	100.0
333.24252	37.9
367.22653	7.4
571.47070	9.0
589.48315	20.9
679.48718	8.4
733.51910	6.2
751.50378	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	750.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	1.7
71.48866	1.5
73.02934	1.7
81.07088	2.3
81.36819	1.1
85.02914	1.4
87.04490	4.9
149.55431	1.1
151.43123	1.0
178.61472	1.1
189.10727	1.1
211.12355	1.9
223.12334	1.9
224.13116	2.2
225.14064	1.3
237.13791	1.4
239.15562	2.1
249.16890	1.1
294.83997	1.1
315.90396	1.2
318.12308	1.1
368.91367	1.2
420.22214	1.9
424.43948	1.1
447.61237	1.0
448.25162	1.1
470.20413	1.6
474.18954	1.9
488.21231	3.5
493.35800	1.1
503.23529	1.9
504.24741	1.2
512.21185	2.1
522.23859	1.1
526.23352	1.2
530.25739	3.2
541.24683	1.3
548.11322	1.1
562.27161	1.2
568.26337	1.5
569.24738	1.5
574.25031	2.7
590.27728	1.5
628.29681	4.7
656.28687	14.7
688.31238	14.0
691.29712	6.5
700.28339	3.2
732.30725	5.5
749.44977	4.3
750.31683	100.0
750.45026	19.9
751.31885	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	751.4599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.7
55.01868	0.8
55.05503	1.8
57.03441	1.0
57.07084	1.4
61.02941	4.0
67.05511	2.2
69.03435	2.7
69.07069	2.6
71.09209	1.0
71.09538	0.9
73.02927	3.6
79.05500	1.8
81.03421	1.1
81.07066	6.3
83.08628	2.1
84.81620	0.7
85.02899	5.0
85.10219	0.7
87.04479	2.7
91.03975	1.7
91.05502	1.5
93.07053	1.7
95.08591	4.2
97.02882	4.3
97.10210	1.1
98.21349	1.1
101.02390	1.6
105.07022	2.1
107.08585	1.4
109.02853	1.0
119.08605	1.2
121.10165	2.1
123.11696	1.2
127.03952	1.7
147.11739	3.6
165.12775	1.5
185.04309	0.7
219.54910	0.7
219.85475	0.6
225.86058	0.6
236.99994	0.7
243.08517	1.8
251.12535	0.7
469.20456	9.4
523.32098	3.6
530.63220	0.6
555.32806	0.7
563.86255	0.8
694.78589	0.7
751.46014	100.0
752.46185	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	750.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.9
55.01865	2.4
67.05492	0.7
68.99793	0.8
69.03426	1.9
70.06598	7.9
71.48870	0.8
71.49228	0.8
72.08157	1.2
79.05532	0.8
81.03411	2.6
81.07027	1.1
84.04494	1.4
84.08127	2.5
85.02911	4.4
86.09725	3.7
91.05480	1.1
93.07027	1.0
95.08624	0.8
96.52582	0.7
97.02913	1.8
103.05468	2.0
105.07022	0.9
107.04978	5.0
107.08643	0.8
109.02874	2.2
109.10152	2.5
111.08067	1.0
112.07388	0.7
115.05462	0.9
119.04928	1.1
119.08566	0.8
120.08126	1.9
121.10216	0.8
121.44811	0.6
123.04427	1.8
125.07018	0.9
127.03911	2.5
129.06958	1.0
129.10265	1.2
131.04933	33.3
132.05713	0.8
132.95827	0.8
133.02844	4.5
134.03647	1.4
135.04424	12.3
136.07556	1.6
137.05977	1.9
137.09637	4.9
143.04907	0.7
145.04988	1.3
147.04430	12.9
155.04967	2.2
159.04434	35.7
159.99338	0.7
160.05203	1.7
161.02351	15.1
161.03596	1.2
161.05923	0.9
163.07521	0.9
165.09096	5.9
167.07004	2.0
171.04405	6.2
173.02388	2.0
181.05003	1.1
181.06483	0.9
183.04428	2.2
183.15068	0.8
184.05269	0.8
185.05913	2.3
187.03925	11.4
191.07071	3.0
191.08577	1.1
194.07275	1.0
195.08209	0.9
199.03970	1.1
201.05559	2.5
202.07771	1.6
207.08092	0.8
209.07953	1.6
209.09671	1.6
211.03929	16.0
212.04680	1.7
213.05478	1.8
215.03424	1.1
215.08690	1.9
217.10133	2.0
218.07280	0.9
219.08127	4.4
227.08699	1.2
229.04980	3.0
231.05289	0.8
231.08063	1.9
233.09683	1.1
235.07578	2.0
236.08360	1.0
237.09105	4.8
239.03416	3.4
243.08067	1.3
245.09605	4.0
246.79066	0.8
247.07542	5.4
255.08061	4.8
257.04459	9.2
258.06705	2.3
259.07394	1.0
261.09161	3.4
263.07016	2.0
264.07822	1.5
265.08646	7.6
271.07529	7.3
272.08322	1.2
273.09085	5.2
274.06155	1.4
275.07031	3.3
283.07535	1.0
287.07053	1.8
289.08655	5.5
290.05798	1.0
291.06558	1.0
293.08105	66.0
294.08456	2.3
299.07141	7.3
300.07681	0.9
301.05115	9.0
301.08389	1.5
302.05643	2.0
303.06540	2.1
303.10159	0.8
309.13330	2.9
314.05621	0.9
315.06528	3.0
316.07236	1.3
317.08057	11.7
327.06516	14.8
328.07111	1.5
329.04501	1.5
329.08127	1.1
330.05225	1.1
343.06021	2.8
345.07605	100.0
346.07941	2.6
347.09067	1.1
355.06125	2.3
373.07098	90.7
374.07425	3.0
391.08200	16.6
409.09213	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01832	1.1
55.02079	0.3
55.05466	0.3
67.05421	0.2
68.05026	0.3
69.03389	0.4
70.06554	1.0
71.49351	0.3
79.05460	0.3
85.02859	1.1
86.09682	0.5
91.05443	0.4
93.06982	0.4
97.02828	0.8
99.00818	1.7
103.05426	0.5
103.84845	0.3
105.03342	0.4
107.04976	2.0
113.27337	0.2
115.05402	0.9
127.03946	0.4
129.07031	0.3
129.10161	0.2
131.04930	17.3
132.05684	0.5
133.02850	1.8
134.03647	1.4
135.04393	2.5
137.05862	0.5
143.04872	0.7
145.02864	0.3
145.04912	0.5
147.04417	6.7
155.03763	0.3
155.04898	1.8
157.06422	0.8
159.04425	13.9
159.55460	0.3
160.05037	0.9
161.02344	10.8
163.03944	0.4
165.08939	0.4
168.74980	0.3
171.04442	4.8
172.04959	0.4
173.02292	1.8
181.10030	0.3
183.04433	2.8
184.05115	1.3
185.05919	1.1
187.03889	6.8
189.07010	0.5
191.08530	1.1
194.07277	0.6
195.04324	0.5
195.08047	0.3
199.03923	1.6
201.05580	0.3
202.07764	2.6
203.08473	0.4
207.08028	0.4
209.09592	0.7
211.03899	15.1
212.04510	0.4
213.05556	0.5
215.03322	1.6
215.08530	1.6
217.10167	1.9
218.07317	0.6
219.08083	2.4
220.09006	0.4
222.06606	0.4
226.07718	0.8
227.08505	0.8
229.04860	0.8
229.06851	0.3
230.07259	0.3
231.07974	1.3
233.09543	1.1
235.07497	1.1
236.08395	0.4
237.09073	1.8
239.03366	2.8
242.07248	0.6
243.08109	1.9
244.08806	0.6
245.05873	0.5
245.07121	0.3
245.09607	4.5
246.06599	0.5
247.07523	2.9
250.06253	0.5
255.08049	6.0
256.08389	0.4
257.04471	2.1
258.06790	4.9
259.07455	1.2
260.08322	0.4
261.06427	0.4
261.09073	3.2
263.07019	1.1
264.07797	0.4
265.08624	2.6
268.63223	0.3
271.07523	9.1
272.08203	1.4
273.05859	0.5
273.09067	5.1
274.06161	1.6
275.07059	1.6
283.07550	1.1
286.06287	0.3
287.07062	1.9
288.07666	0.9
289.05222	0.5
289.08585	6.0
290.05685	0.9
291.06503	0.4
293.08081	18.2
294.08408	0.7
298.06198	0.6
299.07028	6.5
300.07733	1.5
301.01511	0.4
301.04947	8.0
301.08585	2.3
302.05627	2.1
303.06528	1.5
311.07028	1.0
314.05673	1.1
315.06473	4.0
316.07202	0.9
317.08093	12.9
318.08328	0.5
326.05762	0.3
327.06512	17.1
328.07169	1.6
329.04468	1.3
329.08182	1.2
330.05206	0.4
331.05783	0.3
343.06091	3.1
345.07581	100.0
346.07874	3.4
355.06006	2.2
373.07074	89.1
374.07358	3.2
386.69009	0.3
391.08188	4.4
409.09198	2.2
433.15509	0.3
477.43073	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06587	1.3
70.87440	1.8
72.08162	1.0
72.08557	0.8
72.61072	0.6
84.08116	0.8
85.02896	3.2
90.81123	0.6
97.02939	1.2
101.01154	0.8
105.07061	1.4
107.04945	3.1
115.05468	13.6
131.04942	21.1
133.06499	4.0
135.04420	3.1
136.90869	0.8
143.03822	0.8
143.04939	15.1
147.04416	3.0
159.04427	17.4
161.05981	4.6
163.03914	21.2
187.03926	100.0
188.04292	2.0
200.70496	0.7
205.04991	32.0
215.03487	1.5
331.06046	1.4
345.07907	1.0
373.07343	1.4
391.08151	27.5
392.08640	0.9
409.09241	32.9
410.09528	1.5
424.18417	0.7
429.06271	0.7
433.09491	1.7
538.62646	0.7
740.85748	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	0.3
66.21446	0.3
69.03422	1.1
69.22191	2.3
69.22612	0.9
69.85374	0.3
70.06587	0.7
72.08173	0.3
81.03406	0.6
84.08128	0.4
85.02914	2.9
97.02901	1.2
98.20720	0.5
102.05482	0.4
105.06993	1.5
107.04955	2.6
115.05460	14.6
127.03915	0.6
131.04933	20.9
133.06490	4.8
135.04410	2.6
143.04927	14.5
143.52859	0.3
145.04971	0.7
147.04408	2.6
154.97867	0.3
159.04427	16.3
161.05989	4.3
163.03912	20.5
164.04526	0.3
171.04399	0.6
171.23209	0.3
175.03961	0.4
187.03909	100.0
188.04260	1.7
190.31499	0.3
199.03815	0.6
205.04971	27.0
211.04048	0.8
215.03394	1.2
229.04938	0.6
233.04410	0.3
247.07669	0.5
295.06140	0.4
303.06558	0.5
305.33704	0.4
331.06137	0.7
345.07568	0.7
367.07269	0.5
373.07129	1.4
382.11398	0.3
391.08121	29.1
392.08527	1.2
409.09198	26.0
410.09341	0.7
433.09204	1.4
553.12671	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.6
57.03441	1.6
61.02921	4.5
63.95798	0.7
67.05521	4.7
69.03432	2.8
69.07072	2.2
71.48891	0.9
73.02918	4.0
79.05473	1.5
81.03415	1.8
81.07048	6.9
83.05015	0.9
85.02898	4.0
91.03972	2.7
91.05490	2.2
93.07043	1.4
95.08591	3.7
97.02895	3.6
97.06532	0.9
97.10191	0.8
99.04481	1.0
101.02396	2.4
105.07071	1.9
107.08627	1.3
107.18576	0.7
109.02895	1.3
109.10210	1.3
119.08578	1.5
123.11715	2.0
127.03918	1.5
133.10164	1.0
147.11671	3.5
156.08739	0.7
165.12823	1.2
243.08569	2.4
246.13425	0.6
251.12704	1.3
255.37277	0.7
267.15714	0.7
307.15225	0.7
425.22113	0.7
430.48752	0.7
469.20419	9.6
470.21149	1.0
521.30725	3.7
548.89417	0.7
690.29041	1.7
749.44409	100.0
750.31323	5.2
750.44885	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	748.4329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.1
55.01860	2.1
55.05518	23.2
57.03429	1.2
57.07078	8.0
61.02927	2.1
62.21907	0.7
67.05502	8.0
69.03428	8.0
69.07069	15.6
69.07430	1.4
70.06557	1.1
70.19943	3.1
71.04989	2.3
71.08623	1.4
73.02929	1.5
73.06575	3.6
79.05489	1.8
81.03433	5.7
81.07066	10.2
83.04993	0.7
83.08624	53.9
84.08960	0.9
85.02916	14.1
86.09753	0.9
87.00834	5.6
87.04462	5.4
89.06038	100.0
93.07043	1.5
95.08620	12.3
96.82914	0.7
97.02914	4.6
97.10184	16.0
97.65925	0.7
99.04488	2.9
105.01889	3.1
107.07082	2.1
107.08574	1.0
109.02889	5.7
109.10174	7.0
111.11658	0.9
117.09172	3.5
123.11700	2.1
127.03927	8.8
130.08685	0.8
131.07045	1.5
133.08614	58.8
134.69699	0.7
139.14873	1.8
145.04968	3.3
151.09738	1.1
159.02901	2.7
165.16336	1.5
177.11230	27.3
178.11552	0.7
183.17557	0.9
195.12247	1.1
213.03751	1.0
221.01581	0.8
221.13840	7.1
227.20071	11.6
231.04987	1.3
239.15009	2.7
245.21326	0.8
259.92392	0.9
265.16589	2.5
271.22757	11.4
283.17566	3.1
309.19101	0.9
327.20178	22.8
327.23904	1.3
377.29083	2.5
421.31784	2.2
465.34271	91.2
466.34738	4.3
483.35449	8.6
568.30774	0.8
642.73737	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.4331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	2.4
55.01870	1.8
55.05516	27.5
57.03434	1.1
57.07080	8.1
59.05003	0.7
61.02929	1.7
64.84538	0.5
67.05510	8.3
68.02603	0.5
68.99795	1.4
69.03436	8.7
69.07072	16.9
69.81583	2.8
70.06597	1.3
71.04997	1.7
71.08636	1.4
73.02922	1.4
73.06567	4.4
79.05482	1.2
81.03420	7.9
81.07063	10.9
82.07391	0.5
83.08624	52.5
84.08152	0.5
84.08958	0.6
85.02910	17.0
85.06551	1.0
86.09702	0.9
87.00832	8.3
87.04477	4.5
89.06036	100.0
91.03952	0.5
92.01709	0.5
93.07043	1.4
94.97511	0.4
95.04995	0.6
95.08607	11.5
97.02901	5.4
97.10178	16.7
99.04445	2.4
101.17154	0.5
105.01884	3.1
107.07089	1.5
107.08616	1.0
109.02886	6.9
109.10167	9.3
117.01868	0.6
117.09151	4.5
118.06364	0.5
119.08544	0.8
121.10133	1.0
123.11720	2.1
124.84335	0.5
125.09619	0.7
127.03934	8.8
129.01842	1.0
131.07063	1.5
133.08611	56.4
137.06021	0.7
137.13268	1.1
139.14851	1.3
143.79324	0.4
145.04991	2.3
151.09665	1.0
159.02914	1.8
161.11731	1.1
163.11211	0.5
163.14828	0.6
165.16388	1.8
177.11238	24.6
195.12332	1.1
221.13858	8.0
227.17769	0.7
227.20039	10.6
231.04955	1.2
239.15009	3.1
245.21178	0.9
265.16443	1.5
271.22693	13.5
283.17474	3.3
289.23651	0.7
309.19113	1.8
327.20151	23.5
333.26514	1.1
377.29034	3.2
421.31604	2.3
465.34274	93.3
466.34698	3.6
483.35318	12.5
748.42767	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4289
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22046	0.6
55.05505	1.2
57.03442	1.0
61.02918	3.7
67.05516	5.0
69.03434	1.9
69.07066	1.6
70.66969	1.9
73.02936	3.3
79.05500	3.4
81.03445	0.9
81.07058	4.8
85.02903	2.9
87.04479	0.7
91.03967	2.7
91.05494	2.9
93.07029	5.1
95.04960	0.7
95.08617	2.1
97.02900	2.9
100.25634	0.6
101.02395	1.5
105.07055	2.4
107.08611	2.2
109.02854	0.9
109.10172	0.9
112.69875	0.7
119.08568	0.9
121.10216	1.3
127.03963	0.7
130.44455	0.6
131.08615	1.4
135.11729	1.3
142.07903	0.7
149.13271	1.7
159.11745	1.9
178.77042	0.7
185.04234	0.8
194.57480	0.7
235.13126	1.0
243.08511	1.9
284.24979	0.7
301.08978	1.0
313.08929	0.9
329.92764	0.6
399.37363	0.6
453.20779	7.5
453.25580	0.7
469.20941	0.9
535.28778	4.6
556.91626	0.8
599.21527	0.6
633.50348	0.6
634.68451	0.7
747.42944	100.0
748.43054	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.429
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41149	1.4
55.05530	2.1
57.03459	2.6
59.87485	1.2
61.02927	4.7
64.15776	1.2
67.05508	4.9
69.03429	3.1
69.07075	1.9
73.02923	3.2
79.05502	4.7
81.07047	6.9
85.02917	4.8
91.03967	2.0
91.05491	3.7
93.07055	5.7
95.08616	2.2
96.71712	1.3
97.02914	3.8
105.07021	2.5
107.08627	4.4
117.07004	1.6
127.03931	1.5
129.60530	1.4
133.10089	1.4
135.11676	2.1
149.13310	2.2
150.16493	1.2
152.29070	1.7
175.19400	1.2
243.08540	2.5
253.54773	1.3
283.49597	1.5
301.09149	2.3
322.16412	1.5
453.21002	7.9
535.28729	5.8
747.42926	100.0
748.43384	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	747.4288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.4
55.05513	1.1
57.03426	1.4
58.15386	0.3
59.83191	0.4
61.02932	4.8
67.05516	3.7
69.01838	0.3
69.03432	2.8
69.07072	1.0
70.98544	0.6
70.98865	0.3
73.02924	3.6
75.22839	0.3
79.05499	3.3
81.03425	1.2
81.07066	6.2
83.08636	1.1
85.02921	4.8
91.03972	2.9
91.05508	1.9
92.94569	0.3
93.07050	2.8
95.08613	3.1
97.02895	4.3
99.04462	0.7
99.08027	0.4
101.02376	1.9
105.07052	2.3
107.08598	1.9
109.02874	0.5
109.10184	0.4
115.04001	0.6
119.08587	1.9
121.10152	1.7
123.08125	0.4
123.11715	1.2
126.88862	0.3
127.03963	1.1
131.08560	0.4
133.10159	0.4
137.13226	0.4
137.15562	0.4
145.10045	0.3
147.11702	3.7
165.12790	1.1
185.04272	0.7
203.05325	0.7
236.61794	0.4
243.08528	1.5
251.12616	1.1
305.82074	0.3
425.21503	0.7
469.20416	9.4
519.29395	4.2
552.18634	0.4
586.62189	0.4
703.44116	1.0
747.42914	100.0
748.43372	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	747.4287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.5
54.45293	0.4
55.01899	0.5
55.05506	1.8
55.93704	0.4
57.03442	2.1
58.05298	0.5
61.02926	5.7
67.05505	4.1
69.03429	3.8
69.07064	1.1
71.04973	0.6
73.02916	4.4
77.33448	0.5
79.05497	4.0
81.03427	2.3
81.07062	5.0
83.08614	0.7
85.02905	6.7
91.03958	3.4
91.05505	3.3
93.07048	3.8
95.04985	0.9
95.08604	4.3
97.02888	5.5
97.06537	0.7
97.10141	0.5
99.04463	0.6
101.02367	2.7
105.07030	1.8
107.08608	2.0
109.02906	1.0
109.10149	1.0
115.03968	0.5
119.08579	1.3
121.10180	2.5
123.11760	0.5
127.03944	2.3
129.05336	0.4
129.07007	0.6
131.08612	1.0
133.10152	1.1
135.11731	1.0
145.10190	0.5
147.11694	0.5
180.26297	0.5
185.04164	0.6
204.94475	0.4
243.08313	2.1
251.12613	1.2
298.67465	0.4
326.92172	0.4
335.25958	1.3
469.20456	3.6
519.29358	7.9
646.80109	0.4
747.42908	100.0
748.43115	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	747.429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.01871	0.5
55.05507	1.3
57.03436	2.2
61.02930	6.3
67.05508	4.9
68.38389	0.3
69.03432	3.4
69.07072	1.0
69.80235	0.7
69.80623	0.7
71.01344	0.4
71.04983	0.4
73.02916	4.1
73.31990	0.3
73.94237	0.3
79.05498	3.3
81.03411	1.5
81.07057	6.2
83.08608	0.8
85.02910	5.9
85.06597	0.3
87.04459	0.3
91.03960	3.6
91.05484	3.0
93.07034	3.7
95.05000	0.3
95.08615	3.6
97.02901	5.2
97.06518	0.4
99.04471	0.9
101.02369	2.1
105.07038	2.1
107.08595	1.5
109.02895	1.0
109.06511	0.4
109.10151	1.1
115.03980	0.6
117.07018	0.4
119.08581	1.8
121.10146	2.0
123.08109	0.3
123.11729	1.0
127.03902	1.5
131.08586	0.9
133.10100	0.7
135.11729	1.2
145.10107	0.6
147.11700	2.4
149.13252	0.5
157.10213	0.3
161.39420	0.4
165.12801	1.0
169.70845	0.3
185.04156	0.4
203.05278	0.6
223.37141	0.3
243.08499	1.3
251.12621	1.3
269.12250	0.5
307.15222	0.5
335.25870	0.4
340.38220	0.3
422.98840	0.3
440.20081	0.3
469.20438	5.1
497.31439	0.4
519.29303	8.1
520.29993	0.4
523.64679	0.3
571.92029	0.3
585.37646	0.4
747.42908	100.0
748.43085	6.3
748.56458	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	746.5051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.7
55.05270	2.3
55.05516	27.9
57.03442	10.9
57.07084	9.1
57.48922	1.4
60.82829	1.5
61.02929	2.9
67.05510	39.8
68.44185	1.5
69.03423	2.2
69.07074	38.2
70.31886	5.3
71.04990	4.1
71.08643	3.7
79.05498	21.1
81.07061	96.0
81.62572	1.4
83.04949	6.8
83.08627	23.4
85.02914	3.5
85.06548	5.6
85.10190	2.1
87.04485	1.6
89.06027	3.3
91.05492	22.1
91.54021	1.3
93.07053	16.9
95.04974	3.2
95.08608	39.8
97.02873	3.1
97.06554	8.5
97.10168	13.9
99.08087	5.0
101.05997	2.2
105.07040	33.6
106.41584	1.7
107.08601	14.4
109.06525	5.6
109.10172	9.2
111.04407	1.7
111.08067	1.8
111.11714	4.6
113.05985	2.0
119.08575	25.5
121.10154	26.0
123.08071	5.5
123.11719	31.6
127.07573	2.7
129.07062	1.7
133.08582	2.4
133.10144	2.8
135.11729	4.2
137.13264	2.1
139.11194	1.4
147.11694	61.7
149.13237	3.3
157.10165	4.0
160.05315	1.5
160.34697	1.5
163.14813	1.7
165.11444	2.1
165.12775	23.7
173.67401	1.3
175.11238	3.3
183.13849	3.9
193.12289	2.2
229.14340	6.5
247.24132	4.4
265.25259	5.8
267.15930	99.2
268.16339	1.6
285.16986	92.3
339.28955	100.0
340.29181	1.8
357.30261	2.2
362.85028	1.6
370.46054	1.5
436.07828	2.0
441.42383	1.8
444.92276	1.6
549.41516	95.8
550.41693	4.0
746.44110	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.5913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.4
55.05497	8.8
57.07067	2.9
64.88371	1.7
67.05502	21.6
69.07071	15.5
69.39301	9.1
69.39713	3.5
70.79045	2.0
71.08636	2.1
79.05495	11.2
80.05814	2.3
81.07060	44.6
83.06091	3.4
83.08604	8.2
84.08130	2.1
85.56577	1.7
91.05486	12.3
93.07050	26.3
95.08613	38.3
97.10177	3.9
98.21517	3.8
105.07050	25.3
107.08599	23.7
109.10169	20.1
111.04475	1.8
117.07050	3.9
118.91447	1.9
119.08595	25.0
121.10133	21.6
123.08057	8.5
123.11697	9.1
129.06976	2.9
131.08566	11.2
133.10141	17.2
135.08051	6.7
135.11713	11.2
137.13243	3.8
141.06956	2.0
143.08546	5.6
145.10133	19.4
147.05571	1.8
147.11691	15.0
149.13231	9.2
151.07549	100.0
152.07916	4.2
157.10162	10.4
159.11681	17.2
161.13277	14.2
163.11154	2.3
163.14804	3.9
165.09113	6.6
169.10161	5.8
171.11687	8.8
173.09618	3.2
173.13264	10.2
175.14839	7.7
177.09105	3.8
177.16422	5.0
180.72014	1.9
183.11717	5.1
185.13307	8.3
187.14832	5.9
189.09125	6.3
189.16368	3.5
191.10670	46.3
192.11108	3.3
197.13234	4.4
199.14830	8.1
201.09183	2.5
201.16406	6.1
203.10716	4.7
203.17949	6.4
205.12263	17.1
211.14801	3.9
213.16377	5.1
215.17944	3.2
217.12254	3.9
217.19365	2.2
219.13831	6.0
223.14713	2.4
225.16310	3.2
229.19502	2.6
239.17941	2.6
241.19499	3.5
255.21106	2.7
257.15131	3.4
258.52805	2.1
267.21240	2.1
269.22653	4.7
333.95389	2.0
347.68021	2.2
433.31415	2.2
461.34372	2.2
471.39740	2.8
495.46060	2.1
515.38953	2.1
573.48273	5.3
745.59009	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	745.5912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.3
55.05505	8.0
57.07085	3.7
57.67524	1.7
65.03938	2.0
67.05508	21.4
69.07073	14.9
69.44300	13.3
71.08615	3.4
79.05491	12.3
81.07059	37.1
83.06110	5.3
83.08595	6.9
84.08158	2.8
91.05471	15.8
93.07045	23.0
95.08610	34.9
97.10200	2.0
105.07039	26.6
107.08604	32.0
109.10160	24.7
117.06982	3.7
119.08598	26.8
121.10148	19.6
121.60382	2.1
123.08091	5.6
123.11731	10.0
129.07051	3.9
130.06674	1.8
130.07655	1.7
131.08592	13.1
133.10132	13.0
135.08031	3.8
135.11693	12.6
137.13266	2.7
142.07809	2.6
143.08557	6.0
145.10141	13.5
147.11659	15.1
149.13264	7.9
151.07552	100.0
152.07828	3.2
155.08534	3.6
156.09311	2.5
157.10146	9.6
159.11707	20.7
161.13280	7.9
163.11191	3.4
163.14774	5.1
165.09122	7.9
169.10129	6.1
171.11681	9.5
173.13220	9.4
175.07574	2.1
175.14835	7.8
177.09111	5.2
177.16374	3.4
179.08600	1.8
182.11005	2.3
183.11691	7.4
185.13281	10.0
187.14844	7.3
189.09140	6.0
189.16357	5.0
191.10690	29.6
197.13261	4.6
199.14778	6.4
201.16443	4.2
203.10689	6.5
203.17999	2.5
205.12221	14.1
207.11574	1.8
209.13248	3.1
211.14828	6.1
213.16376	5.6
215.17972	3.6
217.12280	7.7
219.13869	6.6
223.14787	3.8
225.16380	3.8
227.10623	2.2
227.18027	4.1
229.19594	2.7
237.16391	3.3
237.39532	1.8
241.19614	2.2
257.15475	2.2
263.17920	2.2
267.21078	3.2
403.33456	3.7
413.83960	1.8
471.39749	2.3
504.73962	1.9
573.48169	3.4
745.59027	31.5
778.65649	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	745.4137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
55.01878	0.7
55.05518	1.6
57.03442	2.4
57.90067	0.3
61.02930	6.7
67.05511	7.0
68.05830	0.3
69.03436	4.4
69.07065	1.3
69.23638	2.8
70.10631	0.3
71.01360	0.4
71.04996	0.6
73.02924	4.6
79.05498	4.8
81.03423	1.5
81.07063	6.2
83.04995	0.4
83.08628	1.0
83.74945	0.3
85.02910	6.2
85.06493	0.4
87.04479	0.8
91.03971	3.4
91.05492	3.0
93.07044	5.9
93.07563	0.5
94.07412	0.4
95.04990	0.6
95.08616	5.5
97.02902	5.6
97.06560	0.7
99.04481	1.2
101.02393	1.8
105.04459	0.3
105.07018	1.6
107.08611	3.4
109.02898	1.0
109.10154	1.7
111.08128	0.3
117.07095	0.8
119.08561	1.7
121.10143	2.1
123.11698	0.6
124.57793	0.3
127.03895	1.4
131.08575	0.6
133.10147	0.9
135.11708	2.8
145.04893	0.3
145.10176	1.6
149.13228	0.3
159.11700	0.4
161.13269	0.4
163.11224	1.8
173.13295	0.3
181.12268	0.5
185.04292	0.8
203.05284	0.5
219.10028	0.5
227.12859	1.1
230.75017	0.3
243.08411	2.8
243.16026	0.3
249.11006	12.3
305.13760	0.9
335.25827	0.8
336.26309	0.5
411.36008	0.4
467.18912	5.0
504.37726	1.0
519.29382	9.3
583.36462	0.4
607.32556	0.3
745.41364	100.0
746.41724	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	744.4895
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81437	1.1
53.03931	2.0
55.01870	1.5
55.05276	1.3
55.05517	18.3
55.59421	1.1
57.03443	10.9
57.07069	3.6
59.62430	1.1
61.02924	2.8
65.03935	1.8
67.05511	48.6
69.07076	23.4
71.04992	4.6
71.08642	1.8
77.96201	1.2
78.83580	1.1
79.05496	18.5
81.07063	79.6
83.04976	5.0
83.08624	14.3
85.02927	2.9
85.06546	3.6
85.10156	1.8
87.14687	1.2
91.05484	21.2
93.07054	16.6
95.05009	2.2
95.08614	38.9
97.06522	6.4
97.10190	5.9
99.08095	3.6
99.52902	1.1
101.06002	1.5
105.07037	25.6
107.08615	12.3
109.06518	3.7
109.10169	10.1
111.08086	3.1
113.06052	1.4
117.07059	1.4
119.08591	21.2
121.10156	18.2
123.08068	3.4
123.11735	21.5
125.09612	1.4
127.07536	2.4
133.10117	5.6
135.11700	3.4
137.09628	1.5
137.13258	3.0
147.11699	40.3
161.13220	1.7
163.14825	1.6
165.12770	14.8
175.11171	1.9
183.13802	1.7
229.14395	2.3
245.22626	2.5
263.23691	5.3
267.15933	61.2
268.16330	1.6
285.16971	49.7
285.27335	1.4
337.27390	100.0
338.27631	3.4
467.38815	1.2
509.66165	1.3
542.66504	1.2
547.40015	54.2
548.40161	3.9
659.25006	2.2
744.66370	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.7
55.05515	13.7
57.03439	11.6
57.07075	3.8
61.02924	3.1
65.03921	2.8
67.05508	72.7
69.03423	2.1
69.07081	18.0
71.04994	7.0
71.48556	2.7
77.68674	2.3
79.05075	3.0
79.05495	40.4
81.03416	2.4
81.07059	97.1
83.04971	5.5
83.08622	13.3
85.02901	3.6
85.06570	10.1
91.05482	25.1
93.06493	3.1
93.07049	49.7
95.04954	5.2
95.08607	31.2
97.02852	2.8
97.06514	6.1
105.07043	9.9
107.08595	27.7
109.06532	3.2
109.10150	15.4
111.08088	3.7
117.07009	9.9
119.08623	10.0
121.06454	3.3
121.10149	14.1
123.08028	2.6
123.11695	11.2
131.08559	10.5
133.10138	17.2
135.11713	13.1
145.10176	3.8
147.11688	4.4
149.13280	13.0
151.11244	4.1
159.11725	10.9
161.13274	4.2
171.11607	2.5
173.13240	3.6
177.12761	5.1
182.30066	2.1
184.07362	4.1
187.13318	5.6
195.13806	7.8
213.14989	2.9
243.15935	27.7
261.22153	7.0
269.17477	21.2
287.15567	3.4
287.18558	45.1
287.23523	3.7
310.42184	2.3
315.13123	2.3
317.24695	3.6
318.63983	1.9
331.91531	1.9
335.22098	3.0
335.25821	39.9
467.46622	1.9
503.37366	100.0
504.37329	5.2
529.38757	8.2
547.39984	34.6
637.86731	2.1
744.51862	4.8
745.40625	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	744.4896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.9
55.05521	17.7
57.03439	11.2
57.07070	4.0
57.91434	1.5
60.90952	1.4
61.02932	2.3
65.03942	2.0
67.05508	48.7
69.07077	24.7
69.90219	7.1
71.04982	2.5
71.08639	1.7
76.21155	1.4
79.05496	19.4
81.07061	90.3
82.16630	1.2
83.04966	5.3
83.08623	15.7
85.02908	3.0
85.06536	5.1
91.05491	24.8
93.07055	20.2
94.34536	1.3
95.04951	2.1
95.08617	43.8
97.06525	5.9
97.10180	4.0
98.20733	1.9
99.08102	3.9
105.07043	33.9
107.08595	13.0
109.06497	3.5
109.10159	10.7
111.08080	2.3
119.08581	26.3
121.10147	23.6
123.08089	3.2
123.11723	25.5
127.07545	1.5
129.06932	1.7
131.08559	1.9
133.10158	6.5
135.11725	2.8
137.13264	3.3
147.10510	2.7
147.11696	56.3
149.13289	3.3
157.10109	3.0
165.12753	25.2
175.14839	2.2
183.13797	4.1
193.12225	1.8
229.14427	4.9
245.22649	3.8
263.23700	8.6
267.15942	88.3
268.16138	1.7
285.16989	100.0
286.17429	2.8
321.22107	1.6
337.27386	87.9
338.27567	1.9
529.39020	2.5
547.39996	73.6
548.40198	3.7
550.50793	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.5
55.05523	19.0
57.03441	13.2
61.02921	5.3
67.05512	81.3
67.89063	2.4
69.03419	2.3
69.07072	18.6
71.04995	6.6
71.49203	3.2
79.05496	41.1
81.03419	3.4
81.06591	5.2
81.07066	99.3
83.04975	3.8
83.08628	12.1
85.06548	11.2
91.05488	30.6
93.07058	55.1
95.04967	4.0
95.08615	37.1
97.06533	9.5
97.10203	4.2
103.05413	2.6
105.07040	17.5
107.08607	28.7
109.06556	2.5
109.10176	14.6
111.08111	6.9
117.07025	9.2
119.08605	8.2
121.06519	6.5
121.10172	18.5
123.11716	8.5
131.08575	13.5
133.10139	18.6
135.11653	17.0
139.91054	2.3
145.10120	4.6
147.11615	4.3
149.13287	17.2
151.11145	2.5
159.11729	14.1
169.12088	2.4
173.13335	3.5
177.12790	2.9
179.14346	3.9
184.07372	5.6
187.13330	4.1
195.13788	8.3
243.15941	26.4
261.22122	7.9
269.17502	40.2
272.20212	7.7
287.18509	25.7
317.24792	2.7
335.25827	60.8
503.37357	100.0
504.38068	6.3
529.38843	11.9
547.39954	42.8
557.72552	2.8
744.51508	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	743.4343
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13710	0.5
53.03946	0.8
55.05503	1.7
57.03430	1.7
61.02927	4.7
64.82365	0.5
67.05508	5.4
69.03433	3.0
69.07058	1.5
69.15153	4.5
72.88044	0.6
73.02926	3.8
79.05497	5.7
81.03419	2.3
81.07059	5.6
83.04994	0.7
83.08610	0.9
85.02912	5.0
91.03968	2.8
91.05486	3.3
93.07048	4.6
95.08622	3.6
97.02912	4.2
97.06558	0.6
97.10184	0.5
98.20675	1.0
99.04449	0.8
101.02386	1.0
105.07047	2.7
107.08603	1.9
109.02895	0.7
109.10180	0.9
117.07028	0.8
119.08585	1.6
121.10158	1.3
127.03941	1.4
129.07079	0.6
131.08578	0.5
133.10156	0.9
135.11754	0.9
143.15988	0.6
145.10167	0.8
147.11720	1.9
163.57207	0.6
171.11696	0.8
185.04347	0.6
227.70665	0.5
243.08449	2.1
247.13098	1.2
338.10172	0.5
465.20935	6.0
519.29523	5.2
529.91711	0.5
535.58429	0.6
659.28705	1.1
743.43433	100.0
744.43671	6.0
765.82050	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.6
55.01875	2.5
55.05515	19.9
56.34424	1.2
56.70667	1.3
57.03441	12.6
57.07063	2.4
61.02913	4.3
64.08626	1.4
65.03933	2.2
67.05508	58.2
69.03429	4.8
69.07076	14.7
69.69427	6.6
70.59160	1.2
71.04993	4.0
74.73187	1.1
78.87151	1.2
79.05497	47.4
81.03424	45.9
81.07064	59.0
83.04982	11.4
83.08624	20.0
85.02904	19.6
85.06538	2.4
91.05487	42.4
93.07052	44.5
95.04983	18.6
95.08613	39.8
97.02901	5.0
97.06523	4.1
97.10152	4.6
99.08101	1.5
103.05505	2.1
105.07033	26.5
107.04951	5.8
107.08588	21.1
109.06512	5.9
109.10171	15.0
110.42124	1.2
111.04492	1.2
111.08087	10.5
117.07025	4.7
119.08593	19.4
121.06511	1.3
121.10150	20.4
123.08053	2.5
123.11707	5.4
129.07021	10.1
131.08585	13.9
133.06485	1.6
133.10124	13.7
135.11684	7.8
137.09616	2.0
137.13264	1.6
142.07794	1.8
145.10139	5.9
147.08110	1.4
147.11697	13.8
149.09613	4.6
149.13313	6.4
149.14377	1.2
157.10143	10.6
159.11703	4.2
161.13258	2.8
163.11128	1.3
165.12682	1.7
173.13228	4.1
175.11246	7.9
187.14772	2.3
193.12245	34.7
211.13298	50.8
243.21123	2.7
261.22122	9.6
267.15927	14.3
285.16992	50.5
301.25107	1.6
305.19135	1.2
317.24850	2.9
335.25818	88.8
336.26215	2.5
435.32758	1.6
453.33557	1.5
527.37341	13.3
528.37427	1.8
545.38422	100.0
546.38611	3.5
655.29303	1.2
759.99799	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.3
55.01874	1.7
55.05513	25.8
57.03199	2.0
57.03441	17.5
57.07080	1.9
58.52392	1.4
61.02920	3.3
65.03939	3.8
67.05508	66.6
69.03439	5.5
69.06796	1.3
69.07076	15.2
70.46008	1.4
70.88277	2.6
70.88617	2.3
71.04994	4.1
75.21893	1.3
79.05495	51.4
81.02931	2.0
81.03423	64.0
81.07057	64.3
82.07388	1.6
83.04990	15.2
83.08624	24.8
85.02445	2.0
85.02911	26.9
85.06540	3.1
91.05482	48.1
93.07044	54.1
95.04967	27.7
95.08611	46.1
97.02873	6.3
97.06528	6.9
97.10163	4.8
99.08073	2.1
105.07035	35.7
107.04974	5.2
107.08595	28.4
109.06533	6.1
109.10170	17.7
111.04469	2.8
111.08047	9.0
113.06010	1.6
117.07025	5.6
118.40759	1.5
119.08582	23.0
121.06497	2.0
121.10154	23.4
123.08050	4.0
123.11713	5.2
125.09647	3.3
129.06992	11.2
131.08582	19.7
133.06494	2.2
133.10149	17.4
135.11681	8.7
137.09641	2.4
142.07771	3.8
143.08632	1.7
145.10136	6.0
147.08034	3.7
147.11693	20.2
149.09598	6.1
149.13260	6.1
151.11172	1.5
157.10139	12.6
159.11705	6.4
159.24306	1.6
161.01660	1.5
161.13257	4.5
163.14871	3.0
164.56627	1.6
165.12776	2.8
173.13251	3.8
175.11198	14.7
187.14755	1.8
193.12248	50.2
210.97325	1.7
211.13298	80.1
227.12755	1.6
243.21127	3.2
261.22156	12.0
267.15863	15.0
285.16977	89.6
317.24817	2.4
320.41992	1.6
335.25812	90.7
336.26181	2.8
435.32492	3.6
471.14044	1.6
471.34592	2.4
527.37433	13.4
545.38416	100.0
546.38586	5.3
559.18323	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.0
55.05520	19.8
57.03435	12.5
57.07045	1.8
61.02914	4.2
65.03936	1.7
67.05508	57.0
69.06797	1.5
69.07074	15.7
69.23235	15.7
69.23571	3.0
71.05005	3.1
79.05074	2.9
79.05499	38.3
79.54278	1.5
81.07062	100.0
83.04969	5.9
83.08622	9.2
85.02917	2.6
85.06550	4.3
91.05482	32.7
93.06483	2.6
93.07049	38.2
94.22086	1.8
95.04971	3.9
95.08614	44.4
97.06530	7.2
97.10196	2.2
97.25143	1.8
99.08119	4.1
105.07037	39.2
107.08592	24.9
109.06509	5.0
109.10176	10.6
116.87625	1.6
117.06998	3.1
119.08591	33.5
121.10144	30.2
123.08086	3.6
123.11713	30.8
129.06989	1.7
131.08577	7.1
133.10114	7.8
135.11696	7.2
137.13281	3.7
144.01115	1.7
145.10129	5.4
147.10504	3.2
147.11697	63.3
149.13251	4.1
157.10133	2.6
159.11659	3.1
161.13246	4.1
163.14845	3.3
164.96280	1.5
165.12767	23.3
173.13235	5.0
175.11227	2.4
183.13841	2.3
187.14781	2.8
209.65831	1.5
229.14418	4.8
230.60451	1.6
243.21013	5.0
261.22171	18.6
267.15933	62.6
285.16977	81.2
286.17310	1.9
294.20279	1.8
316.56906	1.8
317.24765	1.9
335.25818	71.9
336.26129	2.2
353.27008	3.8
527.37091	5.1
545.38379	52.2
546.38110	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.2
55.01883	1.0
61.02921	2.5
67.05513	1.7
69.03432	3.0
69.07092	1.8
70.06593	1.9
71.48313	0.7
71.48739	1.1
72.08174	1.3
73.02921	2.1
77.03956	0.9
79.05517	1.8
81.03432	1.5
81.07070	2.9
85.02921	4.0
85.06572	0.9
86.09715	1.7
91.03970	1.5
91.05487	12.7
93.07048	19.0
95.04973	5.3
95.08604	2.2
97.02923	2.0
98.90953	0.9
103.05485	11.8
105.04543	1.7
105.07039	1.8
107.08597	0.9
109.02874	0.9
109.06526	0.9
109.10176	2.2
111.08111	1.1
118.06565	2.8
121.06510	75.8
123.11678	0.9
125.09644	1.2
127.03969	1.1
130.06499	0.9
132.08087	2.3
136.06230	0.9
146.09679	1.9
147.11690	1.4
149.09683	1.3
150.83691	0.9
165.09167	3.3
166.09550	1.0
197.99887	0.8
228.17642	1.7
299.10138	1.0
324.26920	3.2
340.26462	3.8
351.88019	0.9
368.25842	13.2
370.18594	1.0
374.75723	0.9
386.26834	10.5
404.27786	5.3
435.07422	3.4
442.29556	5.8
458.33383	1.4
460.30612	32.9
461.30814	1.1
524.33545	1.0
586.09363	1.0
684.96191	1.0
742.41571	100.0
743.42065	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	740.4582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
55.01868	1.8
55.05279	1.0
55.05516	12.3
57.03442	9.6
57.07058	1.8
61.02910	1.2
65.03925	2.4
67.05508	38.5
69.03422	1.3
69.07075	10.5
69.23729	3.3
69.24154	1.7
71.04993	1.5
73.02903	1.0
79.05498	34.2
80.05795	0.6
81.03420	1.3
81.07062	37.7
83.04982	2.4
83.08625	7.9
85.02898	1.1
85.06539	0.7
91.04897	0.9
91.05482	15.9
93.07051	43.5
95.04971	5.8
95.08613	42.6
97.02905	3.2
97.03458	0.5
97.06558	2.9
97.10156	1.5
99.04444	2.3
105.04487	0.7
105.06324	0.6
105.07031	11.3
107.04968	6.2
107.08603	27.7
109.06524	2.3
109.10162	9.6
111.08074	1.5
117.07024	7.8
119.07808	1.0
119.08586	10.5
121.06526	4.2
121.10147	14.5
123.08083	1.1
123.11697	2.4
125.05959	1.5
126.47631	0.6
129.07030	0.6
130.07788	1.7
131.08548	4.0
133.10141	4.7
135.08084	1.2
135.11702	40.2
136.11995	1.2
137.13248	1.0
139.07542	1.4
143.08572	0.8
145.10135	19.8
147.11653	2.8
149.13283	3.0
153.12758	0.6
159.11664	1.6
161.13245	1.9
163.11192	42.1
164.11606	0.8
173.13261	1.7
177.16298	0.6
181.12238	6.1
187.14792	0.5
209.11690	1.0
227.12799	51.2
228.13097	1.0
243.21101	2.5
261.22159	7.6
283.15421	49.8
284.15662	1.3
317.24796	2.5
335.25824	100.0
336.25989	2.8
536.06384	0.7
543.36853	69.7
544.37091	4.0
657.60400	0.6
771.76288	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.0
55.01873	2.9
55.05510	14.1
57.03441	9.8
61.02905	2.1
63.48954	1.2
65.03938	1.9
66.04184	1.3
67.05511	38.9
69.07072	15.4
69.60477	9.3
71.05009	1.7
79.05499	36.6
81.07063	37.7
83.04990	3.4
83.08630	7.9
85.06578	1.5
91.05489	15.5
93.07045	43.3
95.04964	7.2
95.08614	55.4
97.02904	5.1
97.06551	2.4
97.10146	1.7
98.20770	2.3
99.04462	3.4
105.07046	11.4
107.04945	8.7
107.08601	34.4
109.06522	2.3
109.10148	9.9
109.53566	1.2
111.24335	1.5
115.05398	1.5
117.07012	10.3
119.08578	14.8
121.06517	5.5
121.10154	21.1
123.08099	1.5
123.11732	1.8
125.05997	2.4
130.07793	2.9
131.08588	3.8
133.10135	6.2
135.07997	2.3
135.11693	46.4
139.07541	1.9
145.10112	25.9
147.11696	3.2
149.13289	2.7
159.11691	1.9
161.13295	1.7
163.11197	59.3
163.14899	2.1
164.11337	1.7
168.00371	1.5
173.13286	2.5
181.12253	10.8
209.11743	2.9
227.12798	82.5
228.13274	1.7
243.21098	1.9
261.22067	8.4
283.15408	100.0
284.15710	2.1
306.27914	2.1
310.81451	1.4
317.24799	2.2
332.32944	1.3
335.25821	95.6
336.26300	3.2
393.24521	1.5
397.01688	1.4
543.36841	83.7
544.37073	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	740.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.4
55.01873	3.0
55.05525	2.1
57.03448	2.4
57.11351	1.1
61.06994	1.0
62.20722	1.1
66.04766	1.2
67.05511	17.3
69.03424	4.9
69.07076	2.8
70.06602	7.2
71.09171	2.1
72.08162	2.7
79.05495	7.0
81.03422	13.2
81.07070	12.7
83.04952	1.3
84.04519	1.3
84.08157	1.8
85.02914	4.3
85.79288	1.0
86.09695	3.2
91.05497	17.5
93.07044	4.9
94.04190	1.4
95.04958	6.4
95.08604	8.0
97.02898	3.5
99.04453	3.4
103.05467	14.8
105.07028	9.9
106.91047	1.2
107.04960	18.8
107.08607	4.9
109.02894	13.8
109.06525	4.2
109.10163	43.4
111.04454	1.7
115.05489	5.2
116.07108	2.1
117.07040	1.5
119.04956	12.9
119.08578	4.8
120.08123	3.7
121.06519	6.6
121.10197	2.2
122.03628	4.4
123.08099	1.3
125.06010	4.1
125.09631	1.4
127.03939	7.8
128.06223	1.5
129.07027	4.5
130.08675	1.3
131.04944	30.1
131.08600	1.7
133.02908	1.4
133.06502	6.8
133.10184	2.0
135.08040	9.1
135.20645	1.0
135.51431	1.0
136.05162	2.2
137.05992	56.4
137.09624	100.0
138.09940	1.6
145.06474	1.7
146.07271	1.6
147.04431	8.1
147.08026	1.6
148.05138	1.9
149.05994	11.2
151.03952	1.8
151.07550	31.8
151.11150	1.1
155.10712	7.1
157.06537	2.9
161.05995	63.1
161.09607	13.6
162.06670	4.2
163.03906	1.2
163.07550	37.5
164.08150	1.5
165.09122	91.1
167.08595	1.6
169.06575	2.0
174.06804	2.7
175.07535	10.4
177.05501	1.4
177.09084	2.5
179.07069	3.1
181.08618	8.8
183.10159	9.1
189.09123	36.3
189.10760	2.3
190.09496	1.3
191.07060	2.9
193.08578	1.3
195.08163	5.6
197.05986	2.2
201.09326	1.5
201.11191	13.4
203.07039	5.1
207.10168	48.0
207.12100	2.3
210.06688	1.0
211.07538	1.2
213.09064	1.1
215.07050	5.5
219.08229	1.8
219.10219	6.2
219.12044	1.1
221.05898	1.6
221.09567	1.9
222.06889	1.4
223.07544	3.1
224.08278	2.1
225.09129	2.9
225.11267	2.3
227.10606	7.9
229.08640	3.1
233.08093	1.9
239.07162	1.2
245.11681	1.4
249.09094	1.6
253.08678	2.7
253.12283	3.4
255.10098	6.1
257.08130	5.7
265.08731	2.0
267.10132	2.3
269.08237	1.7
269.11493	1.3
273.11255	5.4
285.11221	4.6
287.12799	16.7
291.12311	10.9
297.11255	1.8
299.12650	3.3
309.13373	33.6
311.12817	12.8
313.14395	16.7
325.14319	2.8
327.14334	11.2
331.15430	36.4
332.15591	1.2
343.15451	4.6
345.15543	1.3
405.06021	2.1
434.06311	1.8
461.04858	1.4
475.19623	1.8
493.07791	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.443
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03146	3.8
53.03942	7.9
55.01870	4.5
55.05515	23.0
57.03432	11.9
67.05508	60.9
69.03436	4.5
69.07065	17.9
71.49010	4.5
79.05505	53.5
81.03415	8.3
81.07055	52.1
83.05000	7.1
83.08610	11.0
85.02940	3.6
91.05499	37.1
93.07059	54.5
95.01352	11.3
95.04971	11.1
95.08614	39.4
97.06522	5.2
105.07035	22.7
107.04949	6.2
107.08598	20.1
109.10147	14.6
117.07018	11.4
119.04937	4.0
119.08592	18.0
121.06532	4.9
121.10152	15.8
123.04490	6.1
123.08105	4.8
123.11693	5.0
128.06306	4.2
129.07045	6.5
131.08539	18.1
133.06534	7.5
133.10126	11.1
135.04465	4.8
135.11684	13.7
141.07074	5.0
143.08577	9.4
145.06483	10.9
145.10120	10.1
147.04454	4.9
149.13252	5.9
151.03923	5.2
157.10136	7.2
159.08098	5.1
159.11745	7.8
161.05997	4.0
163.03912	4.2
167.03423	4.0
167.08635	4.7
169.10054	7.1
171.11740	5.3
177.12840	6.1
185.09689	7.0
187.07620	4.5
187.11227	5.6
189.09235	5.3
205.05080	3.9
215.10748	5.8
221.04591	8.7
225.09209	3.9
233.11725	3.9
243.10097	4.3
259.09506	4.9
261.11240	4.8
261.22122	10.7
279.15961	16.2
280.16327	7.6
287.12900	6.0
289.11075	7.0
289.14374	12.5
307.15366	16.7
315.12277	12.5
333.13312	42.7
335.25803	100.0
351.14438	18.8
373.35947	3.9
415.25009	4.1
425.18207	40.7
443.19339	28.8
525.80914	3.6
527.37640	7.6
685.39685	36.2
703.40436	48.8
706.21997	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	738.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.3
55.01864	3.6
55.05501	1.9
57.98006	1.0
61.60939	1.0
64.88866	1.0
65.03928	1.8
67.05499	9.3
69.03423	2.8
70.06596	9.5
71.00574	1.6
72.08175	1.6
79.05499	7.1
79.59521	0.9
81.03413	6.5
81.07048	6.2
81.07468	0.9
83.04969	1.0
84.08152	2.1
84.17132	1.0
85.02894	3.3
86.09704	3.2
89.06006	1.9
91.05485	28.8
93.07024	4.6
95.04975	5.0
95.08598	4.0
97.02905	3.4
103.05470	46.7
105.03400	7.1
105.04489	1.4
105.07032	26.1
107.04942	4.4
107.08588	4.3
109.02879	6.8
109.06513	9.4
109.10167	19.7
111.08068	1.1
115.05457	4.8
116.07109	3.4
117.07035	1.8
119.04942	42.4
119.08587	3.9
120.08112	2.5
121.06494	3.4
121.10160	1.8
122.03634	2.2
123.08061	3.7
123.11695	1.3
125.09693	1.5
127.03905	3.3
129.06973	1.5
131.04932	100.0
133.02861	23.1
133.06499	24.9
133.08624	1.5
133.10167	1.5
135.08061	6.9
137.05981	61.1
137.09615	38.2
143.06030	1.9
143.08603	1.0
145.06503	2.0
145.64389	1.0
147.04401	14.4
147.08041	3.3
149.05971	4.5
150.06705	1.4
151.07556	21.3
155.10651	2.2
159.08076	3.7
160.05168	1.5
161.05983	85.7
162.06688	3.1
163.07549	49.5
164.08026	1.3
165.05489	11.4
165.09122	36.5
175.07562	13.3
177.05466	1.7
179.07028	18.1
183.10190	5.1
187.07545	10.0
191.08531	1.4
193.08629	3.6
201.09207	1.3
201.11087	5.4
205.08618	9.1
214.05519	1.0
215.07045	1.4
217.08672	2.8
219.08025	3.5
231.08157	1.5
235.09541	2.0
247.07593	1.8
248.08527	1.4
249.09129	1.2
251.10591	3.4
279.10068	3.0
285.13208	1.3
291.10101	3.9
299.06885	1.2
309.10904	3.8
309.13416	4.9
311.12726	11.4
314.90924	1.0
323.12717	3.1
327.14352	5.9
329.13953	2.9
341.13824	7.8
373.22687	1.0
415.52151	1.0
437.29068	1.4
583.10974	1.2
717.53619	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.7
55.01863	4.0
55.05503	2.5
57.03434	1.9
65.03937	2.9
67.05507	9.2
69.03448	4.6
69.07060	1.9
70.06588	6.5
71.00246	1.6
71.00581	1.0
71.04971	1.3
71.26388	0.7
72.08148	1.7
77.03936	1.6
79.05489	5.9
81.03435	7.2
81.07068	6.0
84.08135	3.0
85.02903	3.6
86.09700	3.4
87.04475	1.1
89.06041	2.9
91.05488	33.9
93.07030	5.0
94.04174	1.7
95.05003	4.7
95.08617	4.6
97.02871	1.7
97.06524	1.4
99.04462	1.9
99.08141	0.9
103.05475	50.9
105.03399	5.7
105.07039	26.0
107.04967	5.1
107.08584	4.0
109.02878	6.3
109.06519	6.7
109.10165	18.9
111.04453	1.4
115.05447	6.4
115.15940	0.8
117.07014	1.0
118.04160	1.5
119.04951	39.5
119.08576	3.6
120.08095	1.1
121.06496	3.0
122.03680	3.9
123.04440	1.1
123.08039	3.5
125.05953	1.0
125.09621	2.7
127.03944	3.0
129.06967	1.4
131.04939	100.0
131.08546	1.6
133.02859	26.6
133.06499	22.4
133.08621	1.6
133.10190	1.3
135.08055	4.8
135.11690	1.1
137.05988	58.2
137.09621	40.4
143.04909	1.0
143.06024	3.0
144.05661	1.0
145.06479	3.0
145.10178	1.2
146.07195	1.1
147.04417	15.8
147.08047	3.0
149.06029	4.6
150.06726	1.1
151.03967	1.0
151.07550	15.8
155.10657	2.5
157.06499	1.0
159.08128	3.9
160.05247	0.8
161.05991	78.5
162.06747	5.5
163.07550	46.1
165.05507	12.3
165.09134	37.2
165.10521	2.2
172.05188	1.1
175.07567	12.4
177.05510	1.8
179.07034	17.4
183.10129	4.8
187.07555	9.4
187.11137	0.9
189.09079	1.0
190.06259	1.2
191.07057	1.4
191.08653	1.7
193.08630	4.6
199.07542	1.7
201.11258	4.2
203.06888	1.1
203.08624	1.2
205.08614	6.8
217.08595	2.8
219.08116	4.1
231.08078	1.9
235.09642	2.4
247.07680	2.1
251.10727	3.2
257.08203	1.1
259.07504	1.3
263.10651	1.4
275.09570	0.9
279.10040	1.9
291.09894	4.8
301.21362	0.9
309.10870	4.2
309.13425	6.3
311.09625	1.3
311.12827	11.4
323.12741	4.1
327.14377	5.1
329.13904	1.4
341.13782	4.6
418.67056	0.8
437.29037	1.8
648.33563	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.5
57.25314	0.1
64.99389	0.1
68.99791	0.3
69.03400	0.1
70.06551	0.4
71.04951	0.3
71.27904	0.1
71.28228	0.1
77.05694	0.1
81.03411	0.2
85.02861	0.4
86.09660	0.2
90.96872	0.1
95.04958	0.1
115.91689	0.1
116.07061	0.1
116.07973	0.1
117.06905	0.1
121.02845	0.2
123.00771	0.7
123.04395	0.3
129.05327	0.1
131.04851	0.2
135.04318	0.1
137.02353	3.9
137.03400	0.3
139.03815	0.1
141.01836	1.8
147.04434	0.1
149.02312	0.2
149.05995	0.2
151.03899	0.2
161.05888	0.2
163.03926	1.6
165.01852	2.1
171.04367	0.3
183.02910	1.2
185.05965	0.2
187.03926	0.6
189.05490	0.2
191.03308	0.3
193.07077	0.1
199.03807	0.2
199.82521	0.1
211.03828	0.2
213.05476	0.6
215.03490	0.1
217.04956	0.6
231.06523	0.2
241.04924	1.4
259.06085	0.6
269.04504	0.2
287.05429	0.7
315.04987	100.0
316.05353	1.8
317.06567	0.1
327.04843	0.2
349.07129	0.2
425.08456	0.2
477.10333	14.4
478.10654	0.4
551.43573	0.1
552.10614	0.1
592.16339	0.1
623.16046	1.2
664.59784	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	732.5622
Annotation	Aralia cerebroside
Peak:m/z	Relative Intensity
55.01866	1.0
55.05517	9.4
56.05031	3.2
57.03431	0.8
57.07082	5.8
58.06596	0.8
60.04530	67.6
67.05510	14.9
68.27550	0.7
69.07077	13.4
69.34354	4.9
70.06580	2.1
71.08620	2.4
72.04520	2.9
74.06077	2.2
74.13142	0.8
79.05490	8.7
80.05025	2.0
81.03416	2.9
81.07059	14.0
82.06582	3.0
83.04951	1.4
83.08625	7.9
84.08128	1.1
84.60874	0.7
85.02908	1.2
85.10187	1.1
86.06075	2.1
90.05547	3.1
91.05479	8.6
93.07052	9.7
94.06558	4.5
95.04973	2.6
95.07365	1.3
95.08618	15.2
96.08131	3.1
97.06562	1.5
97.10176	3.7
98.06059	1.4
98.20781	1.7
100.07610	0.9
105.04576	0.8
105.07021	5.0
107.08583	4.7
108.08128	1.2
109.06516	1.1
109.10152	5.9
111.08083	2.2
111.11740	1.1
112.07646	1.0
119.08591	6.2
121.10184	4.5
122.09653	1.2
123.08062	1.1
123.11716	2.1
133.10150	4.8
135.11702	3.2
137.09660	1.4
147.11702	1.6
149.13306	1.6
161.13441	1.5
175.07520	0.8
182.53310	0.8
217.18134	0.8
224.98897	0.9
234.22452	1.0
245.22694	4.2
250.25291	2.8
252.26926	0.9
262.25336	28.8
263.23602	5.2
266.24973	1.3
268.26254	1.3
272.25885	7.1
280.26379	26.5
294.81992	0.9
294.94012	0.8
298.27478	9.0
314.26907	2.9
316.28403	2.9
344.27927	1.8
504.47784	1.1
516.47711	4.4
534.48944	13.5
552.49945	100.0
553.50140	4.4
570.50934	28.8
571.50525	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.4342
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75034	0.3
53.03958	0.8
54.79783	0.4
55.05508	1.2
57.03437	1.5
61.02931	5.2
67.05507	5.1
69.03438	2.8
69.07067	1.3
69.79729	1.7
71.01357	0.5
71.05003	0.7
71.08605	0.4
72.72584	0.3
73.02917	3.5
79.05495	2.5
81.03428	1.5
81.07063	6.0
83.08626	1.0
85.02914	5.1
91.03956	2.8
91.05491	1.5
93.07050	4.7
94.34297	0.4
95.05009	0.4
95.08611	3.1
97.02908	4.4
97.06549	0.9
99.04471	1.1
101.02399	1.6
105.07040	0.7
106.48939	0.3
107.08613	1.4
109.02901	0.6
109.10168	1.1
117.07021	0.8
119.08578	0.5
121.10185	1.1
123.11682	0.4
127.03938	1.2
131.08536	0.8
133.10143	1.2
133.92943	0.4
135.11748	0.7
149.13281	0.8
159.11696	0.5
185.04294	0.8
203.05251	0.7
235.13165	0.9
239.23097	0.4
243.08446	1.8
246.57480	0.4
335.25876	0.5
453.21048	5.3
519.29352	6.5
731.43433	100.0
732.43805	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	731.4344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
55.05508	1.5
57.03442	2.5
61.02932	5.6
67.05508	7.9
69.03422	3.3
69.07072	1.9
70.79276	1.7
73.02921	3.7
79.05499	3.7
79.05915	0.9
81.03431	1.4
81.07062	7.1
83.08627	1.0
85.02918	4.3
87.04480	0.9
91.03964	3.0
91.05491	1.2
93.07047	5.4
95.08604	3.3
97.02911	4.1
101.02384	2.1
105.07040	1.3
107.08629	2.2
109.02934	0.8
109.10121	1.5
113.13358	0.8
113.82234	0.7
117.07015	0.9
119.08596	1.1
121.10180	1.6
127.03949	1.5
131.08594	1.1
135.11731	1.1
144.06319	0.6
159.11661	0.9
161.13293	0.7
225.13864	0.8
235.13074	0.9
243.08470	1.7
288.06989	0.7
335.26300	0.8
421.46063	0.9
422.99490	0.7
453.20703	3.9
519.29285	8.6
699.18542	1.3
699.30096	12.2
731.43439	100.0
732.43823	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	731.329
Annotation	Unknow
Peak:m/z	Relative Intensity
69.92830	2.9
72.98416	0.7
78.85248	0.6
81.07069	0.8
168.08250	0.7
221.10854	0.9
224.13121	0.8
231.60725	0.6
237.13933	1.1
250.10992	0.8
262.13361	0.8
263.14023	0.8
273.14026	0.6
273.55200	0.7
275.15494	1.1
276.15125	0.9
314.16440	0.8
316.14740	0.9
318.16022	1.2
330.16110	0.8
354.19980	0.6
364.16998	1.1
365.17813	1.2
375.16605	0.8
377.17969	1.5
379.19446	2.1
380.20380	0.7
381.20929	1.6
389.18042	1.1
390.19147	1.0
391.19516	1.6
393.17017	1.8
393.21216	1.5
394.17639	0.9
395.18655	1.0
403.15262	0.7
405.16904	1.4
407.18365	1.2
407.22906	1.1
408.19586	2.1
409.20239	6.0
410.20001	0.8
417.17093	0.8
419.18802	1.3
421.20590	3.5
422.21756	1.4
423.21985	14.6
424.22592	2.6
433.20709	1.8
435.22058	2.1
436.22659	2.0
437.24313	3.5
438.24362	2.2
447.22693	1.3
449.24118	1.2
450.24341	1.0
451.21530	3.1
453.19040	1.1
454.20407	1.5
461.23547	2.1
463.21655	0.9
465.23044	2.5
466.20200	2.0
467.20224	1.2
467.25366	1.1
475.21823	1.6
477.23663	1.3
481.22650	3.1
491.20456	1.0
493.22693	1.5
494.23224	1.2
495.24030	4.6
496.22589	1.3
505.22510	1.3
507.23969	2.3
508.24908	5.0
509.26428	3.7
510.26712	4.9
511.26990	2.8
513.25018	1.7
521.26141	3.4
522.26196	1.6
523.27246	1.5
525.20837	3.6
527.26465	1.7
537.25165	12.9
538.25214	2.9
539.22882	3.6
549.25299	2.1
550.26172	0.9
551.22888	1.5
552.27600	1.2
553.28937	6.0
554.25256	19.9
555.26038	3.7
565.24683	2.1
579.25824	1.3
580.26843	2.7
581.27124	2.2
582.26385	1.1
583.25671	2.2
593.23535	0.9
597.27332	7.0
598.27759	3.7
607.25684	1.4
609.24133	1.0
612.29547	6.7
613.30463	4.0
625.26794	3.7
639.28168	0.9
640.28650	3.2
641.26337	1.8
655.31226	0.9
656.28235	5.6
657.29370	6.9
667.27808	8.4
671.27667	2.3
672.31219	3.8
686.18396	0.8
699.30273	78.3
700.30219	4.7
731.32898	100.0
732.32910	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	731.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
59.96999	0.6
60.92400	0.6
66.11104	0.6
67.05529	1.6
70.73269	1.6
70.73643	1.5
78.83225	0.7
81.07051	1.0
92.10019	0.7
95.08606	0.8
119.67276	0.6
221.10750	0.8
223.12451	0.9
275.14731	0.7
276.14923	0.7
277.13297	0.9
312.15173	1.0
314.16785	1.0
326.16449	0.9
330.16098	0.8
338.16394	1.0
340.18048	1.2
341.30789	0.6
352.17950	0.9
356.17566	0.7
362.16016	1.1
363.16251	0.9
365.17645	1.3
367.19778	0.8
377.17758	1.2
378.19138	1.3
379.19235	2.1
380.20248	1.3
381.20911	1.8
387.20294	0.7
391.19513	1.6
393.17081	1.4
394.18051	0.9
395.18579	2.1
401.85327	0.8
405.16946	1.6
406.17987	1.2
407.18234	1.7
407.22894	1.6
408.19559	2.6
409.20258	6.8
410.19095	0.8
417.17264	1.0
419.18866	1.4
420.19354	0.9
421.20300	4.4
422.21231	1.8
423.21890	13.7
424.22668	2.0
431.18738	0.8
432.19879	0.8
435.22211	5.0
436.22461	2.2
437.19720	2.4
437.24261	1.4
438.24585	0.8
442.24994	0.9
445.20313	1.1
446.21823	1.0
447.22403	0.9
449.24033	1.3
450.24042	1.9
451.21216	3.2
452.22894	0.8
453.19171	1.4
454.20129	3.4
461.23447	2.7
462.20859	0.9
463.21384	2.4
465.23526	1.3
466.20248	2.6
467.20496	2.5
467.25464	1.5
470.24646	0.7
475.21600	2.2
476.21945	1.1
477.23779	3.4
478.23837	1.3
479.24487	2.0
480.21838	0.9
481.22644	5.0
482.23251	1.5
493.22269	2.8
494.23145	1.4
494.28055	0.7
495.23987	5.9
496.24948	1.0
505.22089	2.0
506.23816	0.8
507.23965	2.0
508.24890	7.0
509.26294	7.3
510.27057	6.6
511.27319	7.4
513.25110	1.6
521.25226	3.0
522.25903	2.0
523.23407	1.5
523.27808	1.3
525.21747	2.4
525.28729	1.0
527.27020	0.9
537.25073	21.2
538.25220	2.5
539.22406	6.4
540.23346	0.8
549.25110	1.9
551.23096	3.0
551.48834	0.8
553.27948	2.2
554.25214	32.4
555.26074	6.0
565.24463	1.9
566.23145	0.7
567.24005	2.0
569.27039	0.9
579.25812	0.9
580.26355	1.1
581.27887	3.1
582.25055	1.6
583.25348	3.8
597.27161	9.6
598.27808	4.8
607.25427	1.0
609.22986	1.2
612.29510	8.1
613.30408	10.7
614.30426	1.2
625.26678	2.4
640.28357	2.0
641.26068	3.3
656.28473	7.3
657.29028	9.1
667.27942	4.4
671.29895	2.3
672.30890	3.0
699.30267	95.5
700.30389	5.2
731.32886	100.0
732.33221	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	731.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02486	0.8
58.96529	0.8
64.58328	0.7
70.02924	0.9
70.05568	2.7
70.05962	1.6
84.41363	0.8
137.46443	0.8
161.10707	1.1
186.65994	1.0
223.12320	1.5
224.13116	1.1
261.13815	1.0
263.14551	0.8
274.13449	1.3
300.14853	0.9
314.16776	1.4
319.22806	0.8
324.15039	1.2
352.18033	1.1
363.16284	1.3
364.16858	1.2
365.17767	1.6
375.16519	1.2
376.44235	0.9
377.17987	1.3
379.19452	4.2
380.20065	2.0
389.18164	1.4
390.18790	1.7
391.19354	3.4
392.20224	1.5
393.21149	1.9
394.17734	1.3
395.18607	1.5
401.74103	1.1
404.16031	1.2
405.17062	2.3
406.17319	1.3
406.21945	1.7
407.18176	2.6
407.22845	2.0
408.19464	4.5
409.20065	9.1
410.20996	1.6
418.18225	1.2
419.18512	1.9
420.19208	1.4
421.20273	3.6
422.20959	3.2
423.21902	20.5
424.22253	5.2
431.18317	1.5
432.19189	1.3
433.20184	2.4
434.20764	2.7
435.22449	4.8
436.22476	3.2
437.18890	1.7
437.23798	2.6
438.24426	2.5
439.21680	1.1
440.23334	0.9
443.14651	1.0
447.21909	3.0
448.22501	2.0
449.24066	2.0
450.24844	1.7
451.21313	3.3
452.22556	1.1
453.19040	1.7
454.20316	3.1
461.23209	3.4
462.20453	2.1
463.21216	2.1
464.22806	1.2
465.23404	1.8
466.19171	1.3
466.23886	1.3
467.21002	2.8
468.22510	1.0
475.21338	2.0
476.22278	1.7
477.18253	1.4
477.23233	3.0
478.23984	2.1
479.25577	1.7
480.22388	1.2
481.22330	4.3
483.23587	1.0
491.20706	1.5
493.22314	4.4
494.22531	4.9
495.24432	6.0
496.24188	1.4
505.22540	2.1
506.22220	1.2
507.23724	3.5
508.25153	7.3
509.26340	7.0
510.26675	8.0
511.26837	5.4
513.24683	1.1
519.24011	1.3
520.24365	1.3
521.26135	6.4
522.26508	4.7
523.27838	1.9
525.21899	2.9
526.29401	1.2
527.27069	1.8
533.21710	1.0
537.25128	22.1
538.25714	6.6
539.22449	6.6
548.24017	2.6
549.24866	2.5
551.23376	2.8
552.26825	1.5
553.28412	6.9
554.25220	32.5
555.25732	5.8
556.26355	1.0
565.24652	3.5
566.24951	3.5
567.22937	1.5
568.23651	1.2
570.28003	3.7
579.26123	2.0
580.26874	5.2
581.27307	4.0
582.25464	2.6
583.25018	2.1
584.29297	1.2
585.30096	2.5
596.29388	2.4
597.27203	11.4
598.27856	7.9
607.25555	1.4
608.26123	2.7
609.23663	2.4
610.23358	1.1
612.29565	10.5
613.31012	4.2
615.27557	1.0
622.27496	1.3
625.26581	3.7
628.32312	5.7
639.28754	2.7
640.28577	22.7
641.26508	2.5
656.28571	9.3
657.29327	6.1
667.27954	9.6
668.27405	1.3
671.30438	5.0
672.31140	39.7
681.29028	1.6
699.30225	100.0
700.30499	8.3
731.32831	97.8
732.33051	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	730.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80323	0.9
54.80632	1.0
57.85472	0.9
70.05289	3.9
70.66817	1.0
89.06041	1.4
95.08600	1.2
105.94157	1.1
116.29241	1.0
209.10686	1.2
242.66379	1.0
249.13879	1.1
270.50961	1.0
275.15439	1.4
326.16287	1.4
328.17892	1.2
365.17447	1.8
377.18124	1.3
379.19348	1.2
389.17859	1.9
391.19348	1.5
393.16983	3.0
405.20993	1.9
406.21637	1.6
407.18698	3.2
408.19473	4.5
409.20273	2.4
417.16885	2.1
419.18631	1.5
421.20541	2.5
422.21017	2.5
423.21973	13.3
433.19955	4.9
435.22195	2.3
437.23627	2.8
446.21359	1.3
447.21625	2.9
449.19504	2.2
451.21280	3.0
453.19302	1.3
454.19849	1.9
460.22610	1.6
461.19064	1.6
462.19653	1.6
463.21735	1.6
464.22684	2.0
465.23419	7.0
467.20566	1.9
477.18164	2.2
478.23947	2.5
479.20605	1.4
481.22137	1.9
489.19434	2.4
490.19653	1.6
493.22491	4.8
495.23856	4.2
496.23788	1.4
505.22232	2.6
508.24454	2.9
509.25131	4.8
510.26804	1.7
519.24182	1.2
520.23663	3.4
521.25494	6.1
525.28796	3.4
533.22211	2.4
536.24268	1.3
537.25171	13.5
539.22870	2.3
548.23950	2.1
551.26031	2.2
552.26953	3.7
553.28497	7.0
554.25330	5.9
555.25848	1.4
563.26019	3.0
565.24493	9.2
567.25043	2.0
569.27710	11.6
579.25616	3.9
580.26605	6.8
581.26501	1.9
583.28589	4.4
584.30090	10.3
593.27277	1.5
595.29443	6.7
596.28943	1.6
597.26709	7.0
607.25641	5.1
611.28333	2.8
612.29462	5.5
621.26898	3.1
627.31793	18.1
639.28198	52.5
640.28253	3.3
653.29681	3.2
656.28717	2.1
671.30792	100.0
672.31226	6.8
699.30243	14.2
715.29480	2.4
730.32111	30.2
731.32874	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	730.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80323	0.9
54.80632	1.0
57.85472	0.9
70.05289	3.9
70.66817	1.0
89.06041	1.4
95.08600	1.2
105.94157	1.1
116.29241	1.0
209.10686	1.2
242.66379	1.0
249.13879	1.1
270.50961	1.0
275.15439	1.4
326.16287	1.4
328.17892	1.2
365.17447	1.8
377.18124	1.3
379.19348	1.2
389.17859	1.9
391.19348	1.5
393.16983	3.0
405.20993	1.9
406.21637	1.6
407.18698	3.2
408.19473	4.5
409.20273	2.4
417.16885	2.1
419.18631	1.5
421.20541	2.5
422.21017	2.5
423.21973	13.3
433.19955	4.9
435.22195	2.3
437.23627	2.8
446.21359	1.3
447.21625	2.9
449.19504	2.2
451.21280	3.0
453.19302	1.3
454.19849	1.9
460.22610	1.6
461.19064	1.6
462.19653	1.6
463.21735	1.6
464.22684	2.0
465.23419	7.0
467.20566	1.9
477.18164	2.2
478.23947	2.5
479.20605	1.4
481.22137	1.9
489.19434	2.4
490.19653	1.6
493.22491	4.8
495.23856	4.2
496.23788	1.4
505.22232	2.6
508.24454	2.9
509.25131	4.8
510.26804	1.7
519.24182	1.2
520.23663	3.4
521.25494	6.1
525.28796	3.4
533.22211	2.4
536.24268	1.3
537.25171	13.5
539.22870	2.3
548.23950	2.1
551.26031	2.2
552.26953	3.7
553.28497	7.0
554.25330	5.9
555.25848	1.4
563.26019	3.0
565.24493	9.2
567.25043	2.0
569.27710	11.6
579.25616	3.9
580.26605	6.8
581.26501	1.9
583.28589	4.4
584.30090	10.3
593.27277	1.5
595.29443	6.7
596.28943	1.6
597.26709	7.0
607.25641	5.1
611.28333	2.8
612.29462	5.5
621.26898	3.1
627.31793	18.1
639.28198	52.5
640.28253	3.3
653.29681	3.2
656.28717	2.1
671.30792	100.0
672.31226	6.8
699.30243	14.2
715.29480	2.4
730.32111	30.2
731.32874	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	727.2082
Annotation	Isomollupentin 7,2''-di-O-glucoside
Peak:m/z	Relative Intensity
55.01861	3.9
56.46358	0.9
57.03438	1.4
61.02922	2.4
69.03425	5.8
69.11551	6.5
69.11978	5.3
70.06586	2.7
81.03404	1.1
85.02908	7.9
91.05491	2.2
94.90051	0.9
97.02876	2.8
98.21456	2.6
107.04974	1.6
109.02869	2.7
119.04944	7.1
121.02873	33.8
127.03960	1.3
131.04965	1.4
137.02382	1.7
145.02824	3.8
145.06598	1.4
147.04431	1.7
157.06374	1.3
161.06001	1.2
163.03938	2.7
164.76373	1.1
165.01865	1.8
173.05962	1.6
175.03862	2.6
176.01105	1.1
177.01823	2.8
177.05420	1.3
179.03421	1.2
182.70117	1.2
187.03865	2.9
189.01808	8.3
189.05551	1.2
191.03398	5.2
195.02879	4.1
199.03928	1.6
201.05498	2.8
203.03395	14.4
205.05014	2.1
207.02896	8.8
213.05428	1.7
215.03354	5.7
217.04962	4.3
219.02859	4.9
221.04434	1.6
227.03348	1.9
229.04935	3.9
231.02853	2.3
231.17258	1.1
233.04459	4.8
239.03453	1.6
243.02911	2.0
247.06013	1.2
253.04926	1.4
254.05757	1.5
255.02797	3.0
257.04385	2.4
265.05106	1.7
267.02817	1.6
267.06552	2.0
268.07266	3.1
269.04422	1.4
271.05893	1.2
273.04065	1.2
279.06555	5.4
280.07211	2.3
281.04700	1.6
281.08090	4.8
283.06091	9.8
285.03708	1.8
287.20871	1.1
291.06406	1.9
293.08170	3.5
294.05267	22.5
294.08633	1.7
295.06018	92.9
296.06699	9.4
297.04544	1.7
297.07507	9.6
299.28271	1.1
305.07974	2.7
306.08939	1.4
307.06012	62.1
308.06741	19.4
309.04132	1.7
309.07544	21.4
313.07059	7.4
315.04980	29.1
316.05298	12.5
317.07895	3.7
319.06058	8.8
319.09433	1.7
320.06662	6.3
321.07568	40.4
322.04745	1.1
322.08279	13.7
323.05478	2.7
323.09137	8.1
325.07074	89.8
326.07449	2.5
329.08035	2.1
333.07559	19.0
334.08298	2.0
335.05380	3.1
335.09042	14.3
336.06216	4.9
336.09818	1.9
337.07053	66.0
338.07370	3.1
339.08746	2.6
345.07559	4.4
346.08383	2.5
347.05481	1.5
347.09186	15.3
348.06097	1.4
349.07071	66.8
350.07623	3.6
351.08685	27.6
353.06622	1.8
355.08194	10.9
357.07666	3.6
359.09070	3.6
361.07037	25.7
361.11185	2.0
362.07401	1.5
363.08636	11.6
365.06235	1.8
365.10162	9.5
367.08170	11.1
373.07217	6.4
373.11029	1.5
374.07883	1.8
375.08624	14.3
377.10382	2.7
379.08133	100.0
380.08499	3.5
385.06970	5.5
387.08865	6.6
389.10135	4.3
391.08096	34.0
393.09741	2.8
397.09247	16.1
399.08737	1.8
401.10178	4.5
403.08102	25.6
405.09775	9.4
409.09216	22.1
415.08002	9.8
417.09470	3.0
419.11465	5.1
421.09247	12.5
427.10281	18.0
429.09702	2.6
433.09216	21.9
437.12631	2.6
439.10352	7.9
445.09119	13.5
447.10748	2.6
451.10284	20.6
457.10495	11.7
463.10181	3.9
469.11279	12.6
475.10229	8.8
477.10239	1.4
481.11118	5.8
487.12381	6.8
493.11285	16.5
499.12289	4.0
511.12381	21.6
517.13318	4.2
518.33008	1.1
529.13617	14.2
541.13422	18.6
547.14307	5.4
553.13165	2.0
559.14490	33.2
565.13763	1.9
571.14465	15.6
577.15527	9.5
583.14471	7.3
589.15497	15.4
595.14441	1.8
601.15448	10.6
607.16547	24.5
613.15479	21.0
619.16571	33.4
625.15405	2.7
631.16620	31.7
632.16449	1.7
637.15393	2.9
643.16516	28.2
644.16571	1.5
655.16486	18.7
661.17743	16.6
673.06964	2.0
673.17609	29.2
691.07397	2.3
691.18689	35.5
709.19739	21.2
727.20502	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.1
61.02906	0.7
64.34597	0.6
69.03438	1.3
70.06579	1.8
71.04951	0.6
72.08130	1.1
79.55888	0.5
81.03389	1.5
85.02907	4.0
89.28934	0.5
97.02861	0.7
103.03943	1.0
109.02854	0.6
119.04918	2.4
121.02879	12.6
121.03759	1.2
123.00791	1.2
127.03895	1.0
132.62712	0.6
136.07590	1.1
137.02344	5.8
138.02650	1.7
141.01851	2.8
145.02832	2.0
151.03859	0.7
159.04417	0.8
163.03922	3.5
164.04311	0.9
165.01831	3.6
166.02272	0.8
175.03888	0.8
177.01913	0.8
179.03333	0.8
183.02893	2.2
187.03934	1.9
189.01830	2.2
189.05409	0.6
191.03406	1.6
195.02864	1.3
199.03944	1.3
201.01804	0.6
203.03435	4.0
205.04956	0.8
207.02924	1.2
213.05450	1.1
214.05740	0.9
215.03419	2.1
217.04933	2.6
219.02867	1.6
221.04506	0.7
227.03386	1.4
231.02934	1.1
233.04454	0.8
237.51323	0.6
241.05035	1.9
242.05222	1.7
243.02959	0.9
245.04424	1.0
255.02879	0.9
259.05887	1.1
268.07272	1.8
269.04541	0.8
271.06061	0.6
273.03928	1.3
279.06531	1.5
280.41675	0.6
281.07959	1.3
283.06015	2.2
287.05606	0.6
288.05927	0.7
293.08109	1.7
294.05255	5.9
295.06003	21.1
296.06631	1.5
297.07562	2.8
305.08163	0.7
306.08865	0.9
307.06030	15.0
307.09555	1.4
308.06726	5.7
309.04031	1.0
309.07513	5.9
313.07089	1.7
315.04990	100.0
316.05331	85.2
317.05237	1.2
319.06073	1.7
320.06702	3.6
321.07574	13.7
322.08292	2.7
323.05792	1.0
323.09140	1.7
325.07062	26.1
329.08115	0.9
331.06009	1.3
333.07608	6.8
334.03836	0.6
334.08246	2.3
335.09128	6.9
336.06305	1.2
336.34009	0.6
337.07089	18.6
337.11163	0.9
339.08624	1.5
345.07571	6.0
347.09076	2.1
349.07077	15.3
350.07532	1.0
351.08624	9.5
355.08197	2.8
359.09134	1.7
361.07019	9.8
361.10974	0.6
362.07617	1.0
363.08682	9.6
367.08099	2.1
373.06989	5.2
375.08517	2.4
379.03275	1.0
379.08148	19.4
387.08566	2.5
389.10297	0.8
391.08115	27.1
392.08276	1.1
399.08612	1.1
401.10071	0.9
403.08087	4.4
405.09802	0.9
409.09222	17.3
415.08081	3.5
417.09665	1.6
421.09216	2.3
427.10315	12.8
429.09421	1.4
433.09290	2.9
439.10284	1.7
445.09189	3.1
457.10016	2.5
461.21545	0.6
463.10474	3.3
475.10123	1.5
477.10205	7.9
478.10623	15.1
481.11325	5.3
482.11865	0.7
484.99536	0.7
487.12332	2.2
493.11551	2.5
499.12451	1.5
511.12344	11.6
517.13550	1.9
529.13361	2.6
541.13196	4.9
547.14288	2.1
553.13458	1.6
571.05737	1.2
571.14435	20.3
589.15564	28.3
590.15619	1.2
595.14386	0.7
607.15857	1.7
619.16669	1.5
624.16278	1.2
637.17328	2.3
643.16461	6.6
655.16248	1.1
661.17517	6.2
673.17706	17.1
674.17676	0.9
691.18622	8.2
709.19763	4.4
727.20367	1.9
744.17358	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73863	1.1
53.03939	4.3
55.05270	1.3
55.05515	17.1
57.03445	14.3
57.07058	2.3
61.02930	5.4
65.03928	3.1
67.05509	67.0
69.07073	19.1
71.04987	3.9
73.02918	1.3
77.03931	1.5
79.05499	44.6
81.03410	3.2
81.07062	83.4
83.04974	3.2
83.08219	1.4
83.08627	14.2
85.02908	5.9
85.06538	2.7
91.05487	24.5
93.07048	60.7
95.04962	3.9
95.08615	37.0
97.02901	3.5
97.06544	6.8
97.10127	1.5
99.08031	1.1
102.55261	1.0
104.23403	1.4
105.04519	1.2
105.07046	13.2
107.08601	32.2
107.09312	2.6
109.06523	1.2
109.10159	13.0
111.08090	4.8
117.07041	9.0
119.08577	8.0
121.10147	18.7
121.84808	1.2
123.11720	6.2
131.08565	11.9
133.10143	15.7
135.11682	12.6
137.13287	1.3
142.96442	1.2
143.08591	1.3
145.10114	4.5
147.11682	4.9
149.13281	11.8
159.11696	8.0
161.13257	2.7
161.75575	1.1
163.14723	1.3
173.13315	3.0
177.12746	2.3
178.36279	1.3
187.14771	1.9
195.13829	11.4
243.21170	2.5
261.22198	9.7
269.17490	70.0
270.17932	2.1
277.47235	1.0
317.24728	2.8
335.25827	100.0
336.26257	1.9
437.34238	2.8
529.38916	90.9
530.39258	5.8
547.39996	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.479
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04794	1.3
53.03933	4.8
55.01857	3.2
55.05515	15.3
57.03442	16.2
57.07072	2.8
61.02911	3.6
65.03947	2.8
67.05511	66.5
69.07076	21.9
69.07431	2.7
71.04985	4.2
79.05498	45.9
81.03423	2.9
81.07064	80.0
83.04965	5.4
83.08617	9.8
85.02897	2.4
85.06575	2.9
87.89285	1.5
91.05487	20.0
93.07053	63.6
95.04970	4.8
95.08621	35.5
95.26610	1.3
97.02876	1.6
97.06535	9.2
97.10184	2.0
98.20660	2.5
99.08115	1.9
105.07025	11.8
107.08601	33.6
109.06522	2.5
109.10152	11.0
111.08067	5.3
111.11720	1.4
117.07001	8.4
119.08585	10.4
121.06576	1.4
121.10159	23.7
123.11706	5.0
131.08594	11.0
133.10158	9.2
135.11702	12.1
143.08501	1.9
145.10146	3.2
147.11665	3.5
149.13275	25.2
149.14426	2.6
151.11206	1.5
157.10164	1.8
159.11702	13.5
161.13200	2.6
173.13254	3.6
177.12729	4.2
187.14795	1.9
195.13826	6.8
243.21103	3.0
261.22208	11.4
267.15894	3.0
269.17508	97.6
270.17838	2.4
317.24600	2.3
335.25800	67.9
336.26218	1.6
353.12851	1.2
455.35016	1.7
500.51978	1.3
511.37494	1.4
529.38934	100.0
530.39136	5.2
547.39984	1.9
621.22528	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	2.0
67.30412	2.0
68.27421	1.8
69.07120	2.1
69.83617	7.1
69.84037	4.4
70.46474	1.8
70.95674	2.2
81.07054	3.2
84.05061	1.8
91.09030	1.9
91.40836	2.2
98.20873	2.6
127.87396	1.8
139.81416	1.9
159.09203	5.1
164.10706	4.4
165.49716	2.0
166.64255	2.2
167.06015	1.7
173.08002	2.0
184.07233	2.0
186.63010	2.4
212.26109	2.1
223.12366	2.9
225.13892	6.2
238.14688	2.4
239.15454	2.5
260.14014	1.9
265.94070	1.9
269.07254	2.1
315.05130	3.3
341.06161	3.6
432.13858	4.2
474.14798	6.5
496.24887	1.9
561.20947	2.5
566.19525	3.2
575.23236	3.6
576.23224	5.5
581.22192	2.9
603.03357	2.5
606.24585	6.4
607.24042	3.4
632.23340	15.6
633.21655	2.5
650.24335	100.0
651.23566	3.1
682.26776	4.7
694.23254	11.7
726.26215	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	725.4473
Annotation	Trungapeptin B
Peak:m/z	Relative Intensity
53.03945	3.0
55.01863	3.1
55.05517	17.7
57.03443	11.3
59.17757	1.5
65.03927	3.2
67.05507	59.7
69.03440	2.0
69.07072	20.9
71.04984	3.8
71.49006	2.5
77.92193	1.7
79.05496	37.3
81.07059	100.0
83.04967	5.7
83.08624	11.3
85.06541	4.9
91.05485	32.5
93.06489	3.3
93.07052	44.3
95.04964	3.8
95.08612	42.1
95.56225	1.6
97.06494	6.5
99.08072	3.7
105.07036	36.5
107.08593	22.7
109.06503	4.5
109.10176	12.4
117.07039	3.3
119.08596	26.0
121.09364	1.6
121.10157	22.2
123.08061	5.3
123.11720	23.4
129.06990	1.9
131.08557	9.8
133.10136	6.7
135.11693	6.7
137.13248	4.4
145.10130	4.6
147.11700	58.7
147.20827	1.9
149.13263	4.5
159.11685	4.2
161.13248	3.5
163.14827	2.3
165.12773	20.3
173.13277	1.8
209.96213	1.7
229.14328	4.6
243.21179	4.6
261.22137	15.2
267.15927	70.6
268.16327	2.6
279.23169	2.1
285.16943	51.0
286.17288	1.9
317.24591	2.6
335.25824	86.2
336.26193	3.6
425.44019	2.0
527.37500	2.7
545.30518	3.4
545.38434	46.6
546.38605	2.6
628.99390	1.7
681.30646	6.6
718.85999	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4447
Annotation	Trungapeptin B
Peak:m/z	Relative Intensity
53.03951	0.6
55.05509	1.2
56.06501	0.4
57.03442	1.0
57.07088	2.5
61.02933	4.0
64.93778	0.4
67.05514	2.9
69.03417	2.2
69.07058	1.3
71.08637	1.9
71.48950	0.5
71.49330	0.5
73.02908	3.3
79.05495	1.1
81.03417	1.1
81.07065	5.0
83.04993	0.5
83.08625	0.8
85.02905	4.2
85.10191	1.0
87.04473	0.4
91.03954	3.0
91.05497	1.4
93.07056	1.5
95.08608	2.4
97.02895	3.0
97.06564	0.7
99.04465	0.9
101.02397	1.4
105.07062	1.2
107.08604	0.9
109.02885	0.9
109.06564	0.4
109.10191	1.3
119.08598	0.9
121.10153	0.9
123.11732	1.7
127.03936	1.4
147.11682	3.6
152.66707	0.4
165.09442	0.4
165.12811	1.3
171.28934	0.4
185.04314	0.9
192.71754	0.4
203.05328	0.7
243.08597	1.4
251.12584	1.2
313.27576	0.9
320.91513	0.5
392.72021	0.4
469.20386	8.9
497.30930	4.1
596.47754	0.7
681.45209	1.1
725.44458	100.0
726.44733	4.0
756.95734	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05480	2.0
63.10376	0.6
65.03910	0.9
67.05468	2.7
69.03391	2.9
69.07031	1.6
70.06607	5.8
71.05299	1.0
71.47803	1.0
72.08131	1.5
72.62992	0.7
73.02905	1.0
79.05448	1.9
81.03378	1.3
81.07016	2.7
84.08138	1.3
85.02905	6.1
85.06540	0.7
86.09708	3.3
87.00836	0.7
89.06007	0.6
91.05437	2.4
92.05795	0.6
93.07050	3.1
95.04963	1.2
95.08616	3.3
97.02824	2.3
99.04420	1.0
105.07002	2.1
107.04909	0.7
107.08542	2.2
109.02840	1.8
109.06494	1.1
109.10127	2.0
110.07175	0.7
111.04170	1.2
111.07996	0.9
119.08528	2.0
120.08123	1.0
121.06471	1.5
121.10112	1.4
125.09582	1.4
127.03772	2.1
129.05457	0.8
131.08511	0.9
133.06488	1.3
133.10114	1.6
135.07993	0.9
135.11635	1.5
136.07588	0.8
137.05940	2.6
137.09561	1.2
143.08499	0.7
145.10033	1.6
149.05956	1.2
151.07565	0.9
152.62186	0.6
153.01782	1.6
153.07106	0.7
155.06827	1.5
161.13287	0.6
163.03845	2.0
165.09048	1.5
171.06317	1.0
199.09381	2.2
215.08940	0.9
242.05713	10.8
243.06442	0.8
270.05267	9.2
285.07587	100.0
286.07938	3.2
302.04056	0.9
315.05148	1.4
315.08746	2.8
331.62695	0.8
385.12012	0.9
402.54846	0.7
405.29648	0.7
417.11703	4.8
423.31174	1.0
445.27597	1.0
447.25699	0.8
457.64008	0.8
459.29297	16.4
475.28979	2.0
477.30341	13.6
505.30203	4.0
519.31610	3.0
579.17102	4.5
621.34583	6.9
639.35681	38.3
640.36426	1.8
681.36707	69.9
682.37067	3.0
725.35712	70.8
726.35333	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	725.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.4
55.01875	4.4
55.05519	0.6
56.05024	0.4
57.03437	3.0
61.02930	3.8
67.65622	0.4
68.99785	2.5
69.03432	15.9
69.53840	1.4
69.54269	1.5
70.06596	2.8
71.01346	0.6
71.04993	1.7
72.08147	1.2
73.02917	3.4
74.67805	0.4
80.88880	0.4
81.03420	21.3
84.08147	1.0
85.02908	31.0
86.09704	0.7
87.00313	0.8
87.00832	14.1
91.03960	1.8
91.05482	0.5
97.02301	0.7
97.02903	12.2
98.20699	0.4
99.04459	6.7
105.01869	8.2
109.02885	17.7
117.01890	2.7
121.02902	1.0
123.04445	1.2
123.13436	0.4
123.68285	0.4
127.03922	24.8
129.01845	1.7
129.10208	0.5
136.07581	1.4
137.02351	7.8
145.04964	8.4
147.02896	1.7
147.04453	0.7
159.02907	10.8
163.00322	0.7
163.03941	1.1
165.01842	0.7
175.03894	0.5
189.01959	0.7
189.03839	0.4
190.99748	1.0
193.01370	0.4
195.03069	0.5
201.05486	0.7
203.03438	0.6
211.03943	1.1
213.03822	0.8
217.01385	0.4
221.00795	0.5
227.03566	0.6
229.05003	1.0
231.04948	3.7
235.02507	0.5
239.03430	1.2
241.05197	0.5
243.02821	0.6
245.04408	0.5
257.04498	1.6
269.04462	0.4
274.04755	1.2
283.02377	1.3
285.03790	3.2
286.04669	0.5
295.05954	0.5
297.04123	0.7
299.05493	5.8
300.05875	4.5
302.04117	2.4
303.05005	3.2
311.01926	0.5
311.05481	0.5
313.03403	2.9
313.07065	1.9
315.05011	10.7
315.09381	0.6
317.03006	0.5
327.05057	1.6
329.02979	6.0
329.06561	0.7
331.04462	0.6
339.05112	0.6
341.02927	8.5
341.06699	2.1
342.03452	0.7
343.04541	8.7
343.08774	0.5
344.04886	0.6
345.05658	0.5
347.03970	2.3
347.12292	1.0
355.04608	1.2
357.02444	6.3
357.06586	0.4
358.03113	3.3
359.03995	3.2
367.04681	0.9
369.02316	12.9
369.06274	2.0
371.03992	16.2
372.04410	0.5
375.11905	0.8
383.03979	0.6
385.01318	0.5
385.05820	1.0
387.03491	1.2
397.05606	1.6
399.03305	0.7
413.05066	0.9
415.06506	0.9
417.12750	1.6
431.06091	10.2
459.05603	16.7
461.10657	0.6
477.06665	100.0
478.07025	4.0
725.13458	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.2
55.05515	22.5
57.03435	4.8
57.07063	3.9
65.03934	3.4
67.05511	60.3
69.03436	9.8
69.07071	13.9
69.13934	21.1
71.05000	21.9
79.05022	1.9
79.05498	37.6
81.03426	19.7
81.07067	100.0
82.36007	1.8
83.04990	18.2
83.08625	6.8
85.02909	3.0
85.06536	9.1
87.09243	3.7
91.05492	32.4
93.07056	35.8
95.04967	4.2
95.08614	27.6
97.02897	3.4
97.06512	4.4
97.10190	2.7
105.07030	19.4
107.08588	23.4
109.06577	2.4
109.10154	15.5
111.04459	3.9
111.08141	2.1
117.07011	8.9
119.08575	11.4
121.10152	14.7
123.11744	14.8
129.05472	8.4
129.07008	3.3
131.08591	13.1
133.10129	18.9
135.11746	9.8
139.11072	1.9
145.10136	6.1
147.11707	6.6
149.13246	7.3
151.11200	5.7
155.08546	3.6
157.10147	5.0
159.11725	9.3
163.11226	2.1
165.12720	2.7
169.12279	2.1
173.04474	5.4
173.13300	3.1
175.11232	2.1
177.12790	4.4
183.13863	3.3
187.13287	10.9
195.13734	3.1
201.14641	2.2
225.14812	3.0
243.15981	3.7
261.22101	3.3
269.17471	6.6
310.43021	2.0
327.26904	1.9
335.25815	21.1
409.40140	2.5
413.21957	3.3
503.37396	37.4
505.39099	14.3
517.38660	4.9
529.38910	9.0
560.47430	2.2
561.41565	24.1
655.42200	2.1
673.42676	3.7
705.45459	5.7
723.44342	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	723.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27157	2.7
53.03934	3.6
53.15108	3.0
55.01876	6.8
55.05513	23.7
55.88163	3.2
57.02604	3.0
57.03423	12.1
57.07065	5.6
61.02922	3.0
67.05510	46.9
69.03418	6.3
69.07074	19.5
70.88114	7.2
71.04979	7.1
76.02289	3.1
79.05495	43.9
81.03416	6.1
81.06603	5.7
81.07063	100.0
83.04971	10.9
83.08602	8.8
85.02915	5.4
85.06533	7.7
86.16721	2.7
87.80476	2.9
91.05486	60.9
93.07050	45.2
95.04967	7.0
95.08617	38.2
97.02873	6.1
97.06537	8.1
104.04707	2.7
105.07037	78.9
107.04993	3.8
107.08601	36.6
109.06504	6.7
109.10147	9.0
117.07022	13.6
119.08597	61.7
119.09400	6.2
121.10159	38.7
123.08073	5.7
123.11705	24.7
128.06204	2.6
129.07008	13.8
131.08566	24.8
133.09218	4.3
133.10147	32.0
135.08032	3.7
135.11697	11.7
137.09622	4.9
143.08540	7.5
145.10098	17.5
147.11690	84.9
149.13231	9.4
157.10175	9.6
159.11658	15.4
161.13312	18.5
165.12755	33.6
169.10207	3.0
171.11705	10.7
173.13234	6.5
175.14801	9.7
183.11703	3.7
185.13367	3.7
187.14864	3.5
192.70717	3.1
197.13078	3.7
199.14867	3.5
229.14374	3.9
231.21198	4.7
241.19600	28.5
259.20602	49.6
267.15927	42.8
277.21661	5.4
285.16992	69.7
285.21869	3.6
315.23325	6.4
325.59109	3.2
333.24277	36.8
351.25381	7.4
367.22644	4.0
374.65009	3.6
543.37018	20.5
561.37665	13.9
651.38495	8.3
669.40082	3.6
705.42188	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	723.3927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.9
57.03451	1.6
61.02925	4.8
67.05505	11.4
69.03434	3.4
69.07081	2.5
69.13879	3.1
69.14303	5.4
71.04984	1.1
73.02927	3.2
79.05506	3.7
81.03423	1.5
81.07066	4.0
83.08612	1.1
85.02911	5.5
87.04445	0.8
91.03996	4.2
91.05505	2.0
93.07067	2.8
95.08624	2.2
97.02876	4.1
101.02415	1.6
105.07053	1.6
107.08614	1.8
109.02893	0.8
109.10164	9.0
119.08632	1.3
121.10201	1.0
127.03915	1.5
145.10153	0.9
159.11720	1.2
168.36008	0.7
173.11792	2.2
195.10025	1.4
229.14290	1.6
243.08458	2.6
255.02766	0.8
267.04742	0.8
333.20386	1.2
413.17825	10.4
551.28339	4.5
723.39313	100.0
724.39954	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	723.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96308	1.6
56.96569	19.2
60.94289	0.7
67.05507	1.1
69.03422	1.1
69.07072	1.6
69.83176	4.4
70.06593	1.1
71.95262	1.8
72.96034	1.9
74.97611	0.9
79.05514	1.0
81.07047	1.0
84.08147	1.0
84.96051	0.8
85.02912	1.2
95.08625	1.1
98.20789	1.3
102.41714	0.8
107.08595	1.1
109.06506	1.0
111.08119	0.9
113.83496	0.7
125.09570	0.9
128.98660	0.9
130.40576	0.8
133.10098	1.2
139.00645	0.9
141.02258	1.5
158.53136	0.7
159.03279	1.0
165.09090	0.9
171.03281	1.5
185.01241	1.1
185.04880	1.5
189.04346	1.4
199.02693	1.1
203.05925	1.1
211.06438	1.3
217.03755	1.0
223.09976	5.7
241.11122	70.7
249.08078	1.2
259.12201	52.2
264.12708	3.3
267.09021	11.5
282.13840	1.5
285.10095	39.5
286.10468	0.9
292.51575	0.9
303.11163	18.2
308.11609	1.7
308.60077	0.9
311.30978	0.8
495.22690	100.0
496.23312	4.6
536.25586	0.9
561.35315	1.3
723.40558	1.0
723.57672	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	4.9
71.46571	1.9
73.74905	1.0
84.96031	4.9
91.57422	1.2
95.17719	1.1
98.97588	41.4
102.30801	1.1
110.97570	15.8
116.98624	8.5
124.99136	1.8
128.98628	10.7
140.98624	6.5
143.00198	8.6
146.99678	3.0
152.98619	3.1
158.99675	16.3
161.01170	5.2
168.00153	1.6
168.43864	1.1
170.99678	21.6
174.00179	1.0
177.00702	6.7
182.99664	25.6
189.00735	12.0
194.99631	1.6
201.00711	45.7
213.00688	3.3
218.92651	1.1
219.01787	31.3
231.01746	4.4
237.02858	8.5
239.52290	1.3
243.01764	21.9
261.02844	86.8
273.02682	6.6
279.03867	33.3
291.03867	12.6
302.05389	1.4
303.04001	1.1
321.04947	34.5
333.04971	2.4
347.59311	1.4
351.05994	9.1
363.06061	2.0
381.07477	50.6
382.07983	1.1
399.08160	20.6
441.09192	100.0
442.09540	3.3
453.09268	1.8
471.10019	1.3
591.96356	1.3
595.53650	1.2
654.49426	1.4
701.37811	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.4329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.4
53.35970	2.4
55.05512	16.5
57.03432	6.3
57.07066	5.4
61.02935	22.6
63.93864	2.2
67.05507	77.2
69.03438	4.9
69.07077	14.5
69.77805	2.0
71.04994	4.3
71.48643	2.3
73.02918	8.8
75.04491	2.7
79.05070	4.7
79.05494	45.4
81.03419	6.4
81.07059	91.3
83.08649	11.6
85.02917	33.2
90.23729	2.5
91.03967	22.3
91.05483	30.0
93.07052	58.9
94.27711	2.4
95.01335	4.5
95.08613	71.2
96.08958	3.0
97.02895	13.7
97.06535	4.2
97.10177	6.6
105.04517	2.7
105.07052	16.7
107.08595	39.9
109.10155	43.2
111.08073	3.5
117.07018	8.7
119.08569	16.9
121.10144	35.0
123.11707	20.9
125.09606	3.0
127.03915	14.2
131.08566	23.2
133.10153	15.8
135.11700	29.9
137.13242	5.8
139.11266	2.8
145.04974	14.5
145.10136	12.1
147.11703	12.3
148.12012	2.7
148.97508	2.2
149.13268	16.7
157.10175	3.0
159.11702	12.3
161.13274	6.8
161.14473	2.5
163.06024	20.5
163.14790	7.8
164.30228	2.4
165.12813	3.1
166.42973	2.4
173.13219	12.5
175.14827	5.8
177.12766	2.4
177.16418	4.9
185.22511	2.5
187.14859	6.6
189.16457	6.8
190.78648	2.2
193.15848	3.4
201.16409	3.7
261.22226	3.7
261.25821	7.1
271.24283	12.6
289.22034	4.9
289.25278	100.0
307.26309	3.5
315.61368	2.4
333.69485	2.3
335.26025	2.7
336.26175	5.0
363.28873	27.2
381.30063	57.0
424.78104	2.5
442.74780	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	722.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
55.01858	0.8
55.05505	1.7
65.03930	0.8
67.05143	0.8
67.05502	11.2
69.03434	3.0
69.07057	0.7
70.06572	1.0
70.68075	1.7
71.04977	0.9
73.42853	0.6
79.05479	2.2
81.03419	8.2
81.07059	7.4
83.05003	0.7
84.52154	0.6
85.02902	1.6
85.51616	0.6
86.09698	1.1
91.05477	9.4
93.07033	3.0
94.04150	1.3
95.04974	4.4
95.08607	4.3
97.02914	2.8
97.06497	1.1
98.60793	0.6
99.04446	1.2
99.08100	0.7
103.05458	1.9
105.07039	1.6
107.04962	1.6
107.08588	2.3
109.02886	8.3
109.06498	2.5
109.10159	25.9
111.04449	1.0
113.60897	0.7
117.06983	1.0
119.04950	6.6
119.08566	2.0
121.06496	2.5
121.10165	0.7
122.03659	2.1
123.08064	0.6
125.05959	1.6
125.09622	1.3
127.03897	3.0
128.06245	0.8
128.14455	0.6
129.07024	5.3
131.04921	2.5
131.08572	0.9
133.06502	1.4
133.10170	0.8
135.08035	3.5
136.05246	1.4
137.04889	1.0
137.05988	38.2
137.09619	57.6
138.03496	0.6
143.04938	0.8
143.08488	0.7
145.06499	1.4
147.04462	1.0
147.08022	1.3
149.06020	5.7
151.07547	45.4
155.10670	3.2
157.06503	4.7
161.06009	5.9
161.09636	1.5
163.06229	0.4
163.07541	13.2
165.06967	1.5
165.09120	53.9
166.07736	0.9
166.09477	1.0
167.08528	5.1
174.06801	2.5
175.07573	5.2
177.09114	8.1
178.07809	0.9
178.51299	0.6
179.08539	0.9
183.08096	0.6
183.08714	0.6
183.10147	4.2
187.07558	0.6
189.09109	16.7
193.06497	1.8
193.10101	2.5
194.07236	0.7
195.08054	10.2
196.08656	0.6
201.09389	1.0
201.11221	6.6
203.08621	0.7
203.10474	0.8
207.10194	2.7
209.09636	1.6
210.06752	1.8
212.08278	1.5
220.08853	0.8
221.06021	3.3
221.09666	3.3
221.11604	1.2
223.07542	4.6
224.08194	1.4
225.09093	3.2
227.10681	14.4
237.05786	0.7
237.09094	1.3
240.07739	1.1
241.08670	0.6
241.12224	1.2
249.09111	2.6
253.08636	5.6
253.12233	7.3
255.10179	13.1
261.08954	0.9
265.08594	0.9
266.09427	0.8
267.10150	2.2
269.08069	1.8
272.10452	2.3
275.12665	0.9
281.11679	2.1
284.10458	0.8
285.11258	10.2
287.12781	28.2
291.12305	4.0
297.11060	0.9
299.12808	2.7
301.14365	1.7
309.13354	16.0
311.12802	2.0
313.14352	30.9
327.14340	5.5
331.15408	100.0
332.15936	2.9
343.15399	4.3
345.15561	1.2
421.16699	3.0
664.64917	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
55.01880	1.2
55.05276	1.2
55.05518	11.5
57.03199	1.1
57.03447	13.4
57.07081	29.6
59.04992	1.1
59.49927	1.0
61.02920	3.8
65.51231	1.2
67.05505	31.2
69.03426	1.5
69.07076	17.0
69.27247	4.5
69.27678	4.8
71.04987	3.7
71.08636	26.2
79.05501	13.1
81.03422	1.2
81.07060	76.3
82.07370	1.2
83.04991	6.4
83.08623	13.1
85.02906	4.4
85.06524	3.5
85.10184	13.7
89.06051	1.7
91.05487	18.9
93.07043	9.6
95.04965	1.8
95.08610	30.9
97.06528	4.9
97.10152	3.5
98.21458	2.3
99.08099	4.0
99.11692	1.1
101.06046	1.5
105.07038	28.8
107.08602	9.3
109.06563	5.1
109.07208	1.1
109.10168	7.4
119.07807	2.0
119.08594	21.9
121.10134	16.0
123.08068	3.0
123.11713	29.3
127.03902	1.0
127.07523	1.6
129.06972	1.5
131.08531	2.6
133.10101	1.9
134.05991	1.2
137.13246	3.3
147.11694	55.3
157.10114	2.8
165.12779	21.4
175.11191	2.3
183.13782	2.9
193.12338	1.2
219.81856	1.2
229.14346	5.5
239.23718	3.6
257.24866	2.1
267.15927	87.8
268.16220	1.9
285.16980	95.7
286.17322	1.9
313.27380	100.0
314.27805	2.7
331.28372	1.9
523.39978	91.7
524.40094	3.9
623.28174	6.4
706.59009	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.01871	1.6
55.05519	8.8
57.03434	1.2
57.07077	1.8
60.78455	0.5
61.02928	1.0
64.02166	0.5
67.05511	5.7
68.99787	1.1
69.03426	6.8
69.07072	92.4
70.04755	2.1
70.06568	0.6
71.04991	1.5
73.02925	1.3
73.06554	3.4
79.05501	1.5
81.03435	6.1
81.03876	0.9
81.07059	11.6
83.08618	2.0
85.02910	13.9
87.00834	5.5
87.04466	6.4
89.06036	100.0
90.06377	0.9
91.07587	0.5
93.07047	0.8
95.08605	8.1
97.02904	5.0
98.20909	0.8
99.04446	2.6
105.01873	2.6
107.07053	1.1
109.02885	5.2
109.10168	3.3
111.11724	35.9
116.97819	0.6
117.01852	0.9
117.09154	3.0
127.03929	7.6
129.12859	0.8
131.07042	2.0
133.08609	58.1
134.08957	0.7
137.05913	0.6
137.13246	3.5
145.04985	1.6
151.09685	1.1
155.14320	1.6
159.02888	2.3
161.11784	0.6
175.09656	0.6
177.11224	23.0
191.07161	0.9
195.12297	1.6
199.16911	4.8
221.13834	7.7
230.63672	0.6
231.05038	1.4
239.14954	2.3
243.19559	12.8
265.16510	2.6
283.17477	4.0
309.19025	1.5
327.20139	25.8
331.24948	0.7
349.25836	1.6
355.97733	0.6
369.58215	0.6
380.65350	0.7
393.28323	1.7
421.05988	0.6
437.31122	85.6
438.31400	3.5
455.32193	10.8
548.21161	0.5
679.87781	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.2
55.01873	1.0
55.05524	2.8
57.03420	0.5
57.07107	0.4
64.54363	0.5
65.03942	0.7
67.05511	8.0
69.03438	3.0
69.07055	0.7
69.91523	2.6
70.06596	3.2
71.04983	0.7
72.08159	1.1
73.28852	0.5
79.05510	3.7
81.03434	6.4
81.07060	5.7
83.04995	0.5
83.08627	1.3
84.08141	1.3
85.02921	2.0
85.06527	0.5
86.09715	1.1
87.04482	0.6
91.05501	5.7
93.07047	3.6
94.04196	2.8
95.04977	1.8
95.08606	3.1
97.02895	2.4
97.06574	0.7
99.04462	1.0
100.07641	0.6
100.11270	2.7
101.06046	0.5
103.03957	0.8
103.05474	2.7
104.06297	0.5
105.07043	6.1
107.04974	1.5
107.08616	3.4
108.04489	0.8
109.02897	4.7
109.06537	2.9
109.10168	15.5
111.04443	0.8
111.08086	0.7
115.05486	2.5
116.07108	2.0
117.07032	2.3
119.04948	1.4
119.08600	2.8
120.08086	0.5
121.06542	2.2
121.10164	1.2
122.03660	5.2
123.08114	0.6
125.05991	0.7
125.09633	1.9
126.05525	0.5
126.09150	0.8
127.03912	3.3
128.06224	0.6
129.07004	1.3
129.10257	0.7
131.04942	2.4
131.08601	0.6
132.05754	1.2
133.06520	5.0
133.10135	1.1
135.08076	4.8
137.05991	100.0
137.09624	37.1
138.06358	1.2
143.05080	0.5
143.08578	0.7
145.06499	3.0
145.10127	0.7
147.04404	2.0
147.08061	3.8
147.11748	0.9
149.06007	4.4
149.09630	0.7
151.03932	0.8
151.07562	1.3
153.09206	0.6
155.04924	0.8
155.10712	2.1
159.08028	2.3
160.05205	1.3
161.05997	15.5
162.06816	2.2
163.07544	4.6
165.09129	34.9
168.13922	0.7
171.08073	0.7
172.05246	1.0
173.06000	0.8
174.06551	0.5
175.07567	26.0
177.09105	1.1
178.07909	0.5
179.07054	1.2
179.08492	0.6
181.08662	1.1
182.15424	2.1
183.10190	3.1
187.07565	8.0
190.07796	0.8
191.08597	5.7
193.08614	3.8
195.08215	0.6
199.07611	3.1
199.09175	0.6
201.11189	3.8
203.08632	1.6
205.06808	0.5
205.08638	2.5
208.08922	0.7
209.09528	0.6
210.14977	1.0
215.10791	0.6
217.08643	1.7
218.07280	1.5
219.08084	9.7
219.46854	0.5
220.08807	1.0
221.06203	0.5
221.09462	0.5
227.10796	0.5
231.08031	3.0
235.07588	0.9
236.08427	1.4
237.09091	0.6
247.07599	3.8
248.08331	2.0
251.10706	15.5
253.08578	0.9
259.07465	1.6
260.08331	1.0
261.09149	1.2
263.10663	1.9
264.07867	1.4
265.08630	1.0
269.11777	0.6
269.55557	0.5
276.07922	0.7
279.10184	12.4
279.13095	1.0
281.08121	1.5
291.09827	3.3
291.12949	0.8
292.11078	1.0
296.10495	0.9
308.10370	0.5
309.13522	6.0
311.12814	38.7
312.13190	0.7
323.12830	11.7
324.13046	0.6
327.14417	5.3
329.13809	2.7
331.15396	1.2
341.13818	7.4
353.13803	0.6
389.13501	0.6
419.28189	0.7
619.25299	0.7
719.53943	1.3
720.54077	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	0.8
64.93256	0.6
67.05492	0.6
69.03412	2.1
69.18216	2.3
69.18644	3.5
73.02927	0.7
83.04982	0.8
85.02912	3.5
89.03926	2.1
95.04989	1.7
97.02879	1.4
98.21553	1.1
98.97591	3.2
101.00880	8.5
107.04978	1.1
109.02871	1.5
110.97640	1.0
111.04444	1.0
113.00872	1.5
115.02468	1.0
117.03394	2.7
118.30544	0.6
119.01922	9.3
121.02859	1.1
127.02434	2.0
127.03914	1.7
129.03979	0.7
131.00195	0.7
131.01912	6.3
132.02020	0.6
133.03513	1.1
135.04436	5.0
139.02408	0.8
139.03934	1.0
143.01894	10.7
145.01595	1.1
145.02791	4.7
145.03554	4.4
145.04948	1.5
147.05008	1.0
153.03987	0.8
155.01900	7.7
157.03432	3.1
158.10268	0.6
158.99672	2.3
159.03123	1.1
161.02972	8.9
162.03148	0.8
163.03900	66.6
164.04266	0.9
167.01901	5.4
169.03510	4.3
171.01494	1.0
171.03568	0.9
171.04988	4.4
173.01268	1.9
173.02974	9.0
175.52341	0.8
178.51511	1.3
179.01791	2.2
181.03508	1.6
184.01422	2.2
184.51483	1.0
185.01164	1.6
185.02950	20.7
186.03130	1.1
187.04581	3.6
189.04443	0.9
189.06108	2.7
189.07776	0.6
193.03471	1.4
194.02031	0.9
195.05029	1.2
197.02924	7.7
199.04608	0.8
201.06148	1.0
203.01981	3.8
203.04066	5.2
205.51982	0.6
209.02992	2.5
212.01863	0.7
213.02505	0.8
214.52589	0.8
215.04019	4.5
219.01794	1.9
221.02968	43.3
222.03227	1.6
226.52705	1.1
227.04016	4.1
237.06276	0.7
239.04001	11.5
245.02997	1.9
245.05092	36.9
246.05278	1.3
247.04648	2.2
257.05106	15.3
259.04584	2.1
261.06226	0.7
263.03738	4.9
263.06561	3.5
265.05582	1.1
271.04529	10.1
271.07214	1.1
273.02805	0.6
273.06079	1.6
275.06378	4.2
277.05569	4.0
281.05096	10.8
284.06479	0.7
285.06204	0.9
287.03741	3.5
289.05746	4.3
291.07294	2.7
291.09818	0.8
293.07358	0.8
295.07117	3.0
297.02557	0.8
297.05746	1.4
299.03583	3.1
303.07361	0.7
305.04556	4.2
305.08170	1.9
307.06613	4.6
309.08447	6.1
309.11395	0.7
313.05536	2.5
315.03625	1.7
315.07156	3.3
317.05090	2.7
321.08118	0.9
323.03687	2.1
323.06537	1.8
331.06604	5.7
333.04572	2.1
333.08417	5.6
333.12372	1.2
341.04849	3.3
347.06384	1.5
349.07721	14.1
351.05579	2.3
351.09442	4.4
359.05875	5.5
365.06686	6.2
367.08752	2.6
369.06693	4.2
376.57474	1.1
377.07178	29.0
377.11099	1.3
378.07446	1.4
383.08313	1.8
386.08148	0.8
393.10757	1.5
395.08264	25.0
396.08444	1.4
437.09308	100.0
438.09460	4.0
449.09232	17.4
455.10391	12.7
461.09308	1.8
467.10361	21.9
468.10281	1.1
479.10428	3.6
481.11890	1.5
497.11496	5.5
497.17682	0.9
521.11597	1.1
539.12421	17.8
540.12732	1.4
548.12701	0.9
557.13452	1.6
686.28729	0.8
719.18884	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05022	3.1
58.06602	10.8
59.04991	1.1
69.53785	2.8
69.54203	3.9
70.02962	9.3
75.56582	1.0
79.05508	1.9
81.07053	2.6
91.05466	1.1
93.07021	1.5
95.08608	1.4
98.20798	2.2
102.92619	1.0
116.03497	1.3
130.05016	36.1
149.02394	1.2
150.32056	0.9
176.62335	1.0
260.25003	1.1
371.11346	1.9
381.06024	1.1
384.12033	1.8
385.13062	7.2
386.13718	16.5
387.14233	2.1
398.13727	1.3
399.14566	11.1
400.15350	31.1
401.16119	17.5
402.17023	2.1
410.12799	1.1
411.13992	2.3
412.15326	2.3
413.16052	6.5
414.16956	12.4
415.17850	6.9
424.14529	2.2
425.15018	6.6
426.16806	1.9
427.18085	4.8
428.18738	6.6
429.19333	27.1
430.19733	1.8
437.15793	1.5
438.15665	1.1
441.19687	2.2
447.20193	1.6
454.18573	1.8
455.16647	2.0
456.17999	2.8
457.18719	4.1
467.16925	1.3
469.18552	2.3
473.18497	1.5
482.18094	1.8
488.20572	17.3
489.21112	1.4
494.18594	1.9
501.21536	1.5
502.22122	3.7
516.23834	10.2
517.24524	35.1
527.15289	1.5
531.22229	3.4
537.50659	2.3
539.19147	1.7
543.22382	6.3
544.23279	17.5
545.24023	54.6
546.24072	2.8
554.21515	2.4
561.23334	2.0
568.17871	1.8
571.21729	5.2
585.23157	3.8
587.28082	6.2
589.23004	6.4
597.25720	1.5
603.24072	1.8
614.26373	2.9
615.26672	2.0
631.24695	1.8
646.28644	12.8
657.21570	2.4
659.25250	1.6
674.28284	100.0
675.28534	5.0
700.25842	2.4
718.36371	5.8
728.23560	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	1.6
53.03950	7.9
55.01876	10.6
55.05274	1.8
55.05516	26.2
57.03442	6.9
57.55497	1.4
57.78840	1.3
60.04533	1.6
60.42247	1.3
61.25669	1.3
63.81416	1.9
65.03938	8.7
67.05510	72.0
69.03441	4.7
69.07076	25.6
69.16978	1.6
71.04990	9.5
77.03867	2.2
79.05498	65.0
81.03436	8.4
81.07063	73.1
83.01353	2.5
83.04980	5.9
83.08626	10.6
85.02937	2.3
85.06562	2.7
91.05488	68.7
92.05810	1.4
93.03394	1.7
93.07053	64.3
93.07644	3.1
95.01344	4.6
95.04964	12.0
95.08617	48.1
97.02879	2.0
97.06532	7.2
97.10162	5.8
99.08066	2.0
101.02349	2.1
103.05474	4.9
105.03380	2.1
105.04530	3.1
105.07038	46.0
107.04961	12.9
107.08601	27.8
109.02872	4.1
109.06512	5.3
109.10162	16.8
111.08115	2.6
113.63282	1.6
115.05460	5.8
117.07034	21.3
119.04945	4.6
119.08587	29.7
121.02908	3.5
121.06532	12.7
121.10151	21.7
123.04418	2.7
123.08099	5.2
123.11720	6.0
125.02353	2.1
125.09673	1.4
127.03943	2.5
128.06224	6.3
129.05516	2.6
129.07008	19.3
131.04935	5.4
131.08580	29.9
133.02852	1.7
133.06485	9.8
133.10118	17.2
135.04422	25.0
135.08072	6.8
135.11691	12.4
137.02342	2.2
137.05978	2.0
137.09615	4.3
139.03882	2.3
141.07010	9.7
142.07828	3.4
143.08575	16.4
145.06483	7.0
145.10143	20.1
146.07286	1.9
147.04413	7.5
147.08063	14.0
147.11687	12.6
149.02362	4.3
149.06001	4.9
149.09674	3.1
149.13286	8.8
151.03917	10.5
151.11243	1.8
153.07018	2.7
154.07764	3.0
155.03409	2.9
155.08559	13.3
156.09377	2.0
157.06520	4.9
157.10124	11.0
159.04489	3.0
159.08113	4.7
159.11713	18.1
161.05992	4.7
161.09656	5.7
161.13290	5.0
163.03920	100.0
163.11189	3.1
163.14844	3.3
164.04283	1.5
165.05562	4.1
165.07008	5.0
166.07719	3.2
167.08603	6.5
168.09383	1.9
169.01328	3.3
169.06529	3.6
169.10132	15.2
170.07318	2.1
171.08080	5.8
171.11662	15.3
173.05984	6.7
173.09673	4.4
173.13274	9.7
175.03957	7.7
175.07576	1.8
175.11232	5.0
175.14847	2.6
177.05481	12.0
177.12756	3.8
178.07845	1.9
179.03392	10.1
179.08527	7.3
181.05037	2.5
181.10088	8.3
183.02933	2.8
183.08113	5.3
183.11667	7.9
185.09668	5.4
185.13350	3.5
187.03970	2.8
187.07559	3.2
187.11185	11.2
187.14827	3.6
189.05496	4.9
189.09178	1.9
189.12761	20.1
191.08614	2.1
192.09483	2.5
193.04953	2.5
193.10184	4.1
195.08098	2.3
195.11740	6.9
197.09615	8.0
197.13333	5.2
199.11275	7.5
199.14882	1.9
201.05527	2.1
201.09126	2.5
205.05003	4.1
205.10213	4.0
205.12289	7.4
207.08122	2.9
207.11737	2.8
209.09688	4.3
209.13257	4.2
211.11154	3.2
213.09030	1.7
215.10707	10.4
215.14273	1.6
217.12227	3.7
219.11787	1.9
221.09563	2.0
221.13354	3.0
223.11330	3.1
225.09213	5.6
225.12849	2.7
227.10768	2.0
231.10155	2.0
233.11674	17.7
233.13440	1.9
235.11162	2.1
235.15096	2.4
243.10184	24.5
243.21114	2.7
251.12724	1.8
253.12102	1.9
261.11246	17.8
261.22156	13.8
269.11789	2.4
271.13394	6.4
279.12268	17.3
282.27774	1.9
287.12735	1.8
289.14346	16.5
293.13828	20.2
297.13538	9.1
305.13940	2.7
311.14890	16.7
315.12537	3.1
317.13724	3.2
333.13373	19.8
333.24335	3.6
335.14795	13.4
335.25858	40.5
351.14395	4.2
365.15988	3.3
367.17557	24.6
407.16971	7.0
435.32327	2.5
439.20105	2.2
453.33780	2.3
475.31564	1.8
503.31888	2.6
527.37152	9.0
529.32574	2.6
532.66376	2.2
533.32483	2.5
537.50751	4.9
539.66858	1.8
547.33936	2.1
557.32758	2.7
565.34668	2.8
575.33893	3.5
579.36676	3.8
589.35406	2.3
593.35822	2.0
595.36041	2.2
597.37860	3.8
603.38007	1.9
607.36218	5.0
621.37653	5.9
625.37146	4.3
627.38831	4.7
631.36334	3.6
634.84802	1.8
639.38831	9.5
649.37201	4.4
657.39752	5.6
667.38239	11.5
668.22211	1.6
681.39673	3.8
685.39130	3.2
699.41083	10.0
717.41638	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40447	1.6
56.01529	1.5
57.07072	3.0
67.05505	2.7
81.07076	2.9
87.04461	3.2
89.06030	17.6
93.07056	2.6
98.20744	4.1
133.08620	10.6
177.11235	4.4
220.11537	1.8
223.12263	2.3
224.13167	1.7
225.13963	3.1
237.13861	5.0
238.14743	9.5
238.16812	1.8
239.15204	2.1
253.17006	2.5
262.95166	1.6
363.16296	2.3
365.17676	2.0
369.03815	1.8
377.17825	2.5
378.18588	2.2
379.19104	2.1
390.18924	1.9
391.19449	3.3
407.22708	2.1
409.20209	6.8
420.17032	3.3
423.21802	5.3
435.22137	3.5
436.22406	2.8
443.06113	1.9
447.22141	3.3
448.18549	2.6
449.23822	2.3
452.22083	2.7
461.19690	7.5
462.20425	2.9
463.21173	23.9
464.21747	2.6
475.21066	3.7
476.22122	4.4
479.24594	4.2
495.23663	2.1
503.30893	3.0
522.24347	12.7
523.23706	2.7
524.20642	2.6
535.23376	2.2
536.50165	4.4
537.50494	2.3
539.26282	2.3
549.25140	3.2
550.25793	10.0
553.27618	2.7
554.28265	3.3
554.50940	1.8
566.24396	1.9
577.24774	2.8
580.23926	2.1
581.27686	16.1
609.27118	16.2
613.30261	9.4
623.28082	3.5
625.26715	1.8
626.27472	9.0
641.29675	100.0
642.29669	4.9
653.25897	5.6
685.28687	31.0
717.30878	24.0
717.46069	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	717.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73110	0.5
65.58279	0.6
79.89149	0.6
81.07083	1.0
98.21542	1.2
120.91460	0.7
147.11667	0.6
174.09151	0.6
181.81648	0.5
237.14081	1.1
276.15085	1.1
302.16473	0.7
306.16010	0.6
326.16687	1.0
328.17917	0.6
364.17743	0.7
377.17624	1.0
378.19073	0.7
379.19394	1.2
380.20358	1.0
381.20801	1.7
393.17068	1.1
393.21527	0.7
394.17700	1.2
395.18570	0.9
405.16901	1.0
407.18381	1.4
407.23080	1.3
408.19815	2.3
409.20288	7.8
419.18536	1.1
420.19403	0.9
421.20514	3.2
422.21222	1.7
423.21957	15.4
424.22614	2.6
425.19843	0.7
433.20563	1.2
434.21442	0.9
435.21872	2.4
436.22726	1.8
437.24417	3.8
438.24323	2.7
447.22604	1.5
449.18777	1.0
449.24185	1.6
450.24573	0.8
451.20761	1.7
452.21957	0.6
453.23700	1.0
454.20197	1.7
461.23764	1.1
462.20422	0.7
463.21164	1.6
465.23462	2.8
466.19830	1.7
467.21033	2.2
468.21719	0.7
475.21558	1.6
477.18893	0.9
479.20239	2.3
479.25131	2.3
481.22610	4.1
492.21381	0.9
493.23148	1.6
494.23349	3.6
495.24042	2.3
496.24884	3.2
497.25272	2.5
499.23380	1.1
505.21817	0.8
507.23944	3.0
508.24631	2.7
509.25635	1.7
513.25574	0.7
521.21472	1.1
523.23499	9.8
524.23883	1.7
525.20544	3.4
535.23376	3.7
536.50507	0.9
537.21576	1.4
538.24255	0.8
539.27380	5.0
540.23572	11.5
541.24506	2.5
549.26001	1.2
551.22864	1.4
552.23413	0.9
553.24286	2.0
557.27472	1.1
565.25104	1.5
566.25470	2.6
567.25897	2.5
568.23486	0.7
569.24213	2.1
579.22882	0.8
581.27728	0.8
583.25708	6.8
584.26312	2.5
593.24329	1.3
598.27808	3.7
599.28937	6.1
601.26544	2.3
611.25262	2.7
621.23444	0.9
625.26367	1.4
626.27283	2.1
642.26862	2.8
643.27338	3.0
653.26093	10.6
657.27728	1.1
658.29950	2.0
667.28107	0.9
685.28711	63.2
686.29150	3.2
717.31335	100.0
718.31787	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	717.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72677	0.8
55.15660	0.8
65.11575	0.9
65.35491	0.8
67.05491	0.9
70.04653	2.6
70.05054	1.1
72.97621	0.9
81.07092	1.0
91.05460	1.2
93.07028	1.2
101.27821	0.9
111.78851	0.8
146.09639	0.9
203.90852	1.0
237.39307	0.9
247.12860	1.0
256.91049	0.9
261.13980	1.4
264.37143	1.0
358.13770	1.0
365.17706	1.4
377.17633	1.0
379.19089	2.4
380.20325	1.3
391.19608	1.4
393.21106	2.1
395.18381	1.1
405.16595	1.3
405.21283	1.8
407.18549	1.6
408.19537	1.9
409.20313	5.2
414.22192	0.9
421.20236	3.0
422.21078	2.4
423.21881	12.6
424.22220	2.6
435.22342	2.3
436.23035	2.0
437.23492	2.9
438.24231	2.6
445.20035	1.0
449.24249	1.4
454.19464	1.5
461.23450	3.1
465.18915	1.4
466.19958	2.7
467.21097	3.3
468.21078	1.1
475.21460	2.7
479.24423	4.0
481.22607	7.0
493.18646	1.5
494.23480	5.0
495.24475	4.7
496.24774	4.1
507.24072	2.5
509.21408	1.0
510.22604	1.6
523.23523	16.8
524.23871	1.4
525.21210	4.9
534.22070	1.1
535.23248	2.5
536.50586	1.9
537.22015	1.0
537.50500	1.0
538.25647	1.1
539.26208	2.9
540.23688	26.4
541.24097	2.4
551.22290	1.2
553.21698	1.4
554.25970	1.1
566.24951	3.1
567.25531	1.9
568.23737	2.2
569.23993	2.5
583.25629	11.3
584.25842	2.0
595.21368	1.2
598.27795	8.1
599.28571	2.2
611.24969	2.7
614.31281	1.3
625.26776	2.1
626.27191	3.7
627.24768	2.4
642.26880	8.9
643.27917	6.1
653.25946	9.2
657.27899	1.4
658.29840	4.7
667.27716	1.1
685.28680	100.0
686.28833	5.1
717.31256	40.2
718.31677	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	717.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
60.27498	1.4
61.83733	1.4
91.05473	1.6
94.48135	1.7
98.20746	4.3
133.76904	1.5
142.56836	1.4
176.75291	1.6
209.10768	2.0
221.10666	2.5
228.89780	1.8
235.12318	2.9
237.13953	2.6
261.13834	1.6
276.15106	2.2
363.16431	2.3
364.18317	1.9
365.17917	3.6
378.19141	1.8
379.19528	3.4
381.20892	4.4
393.21109	4.0
394.17850	2.3
397.17499	1.8
407.22568	5.2
408.19568	3.5
409.20163	41.8
421.20419	2.9
423.21982	19.1
424.22729	14.4
433.20819	2.0
435.22263	3.2
437.24091	3.1
443.21945	7.7
451.21475	4.5
452.22372	2.2
453.19498	6.9
461.74884	1.7
463.21439	7.2
467.20175	2.5
468.21671	3.6
469.26538	2.2
481.22659	3.0
482.22641	2.2
493.18622	5.4
495.24069	6.4
496.24417	2.8
497.25247	2.4
505.21774	2.6
507.23883	5.3
510.26416	2.9
511.27280	36.7
512.27374	2.1
521.25507	5.4
522.25964	2.5
523.22766	7.4
525.24945	4.5
535.19897	2.5
536.50714	1.9
536.86658	1.7
537.25421	4.6
538.25598	5.0
539.26678	3.3
551.23004	5.3
553.27899	4.8
554.25378	3.6
555.26160	29.5
556.26660	4.4
564.97308	1.8
565.24902	3.2
567.22388	6.2
568.22748	2.5
580.26422	2.5
581.28253	7.5
582.25391	4.7
583.25555	5.6
593.24005	5.9
597.26251	2.3
598.27893	22.9
610.24725	3.4
611.25140	4.6
614.30603	3.3
625.26697	16.3
626.27057	7.0
635.23987	1.9
641.30103	3.1
642.27264	3.6
643.27692	7.2
653.25970	21.6
657.29132	3.8
667.27570	9.1
685.28754	100.0
686.29010	7.3
699.30475	22.2
717.31360	91.4
717.41193	2.7
718.31525	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	716.5673
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72079	0.4
53.03941	1.0
55.05274	0.7
55.05516	9.8
56.05046	2.9
57.07076	4.4
58.06607	0.5
60.04530	22.3
65.03937	0.7
67.05510	15.8
69.07072	14.3
69.56918	3.1
70.06594	3.2
71.08633	2.4
73.31272	0.4
79.05495	13.7
81.06591	0.9
81.07059	15.6
82.06571	1.1
83.08627	10.2
84.08150	0.5
85.10191	0.9
86.06074	0.7
89.06025	0.5
91.05486	2.3
93.07047	14.4
95.04944	1.0
95.08611	14.1
96.08135	2.0
97.06533	0.8
97.10175	5.5
98.20798	0.9
100.07607	1.0
105.04552	0.5
105.07079	0.8
107.08596	7.8
109.10164	5.5
110.09718	0.8
111.08079	0.8
111.11731	1.3
114.09181	0.9
121.10151	9.8
123.11719	1.8
135.11697	6.0
137.13301	0.7
149.13280	2.1
151.14836	0.6
158.99640	0.4
163.14830	0.8
168.60896	0.4
179.74045	0.5
192.25920	0.4
219.21147	0.6
224.22514	0.5
237.22246	0.4
241.69165	0.4
247.24199	2.6
252.27022	0.7
254.24838	1.2
264.26886	8.7
264.29486	0.9
265.25110	0.5
266.25027	0.8
272.25873	6.8
282.27924	15.3
300.29089	1.2
327.27960	0.4
393.69839	0.4
411.16940	0.5
488.48422	1.3
518.49384	5.0
536.50427	100.0
537.50916	4.2
554.51489	23.1
555.51801	0.8
573.48938	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.5672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
55.01884	0.5
55.05273	0.7
55.05518	9.8
56.05045	4.3
57.06878	0.4
57.07081	4.5
58.06595	0.8
60.04530	23.0
67.05509	17.9
69.07072	12.6
70.06584	3.2
70.60786	1.4
71.05000	0.7
71.08635	1.9
72.04524	0.7
79.05500	15.2
81.07063	16.2
82.06565	1.0
83.08622	9.2
83.63492	0.4
84.08128	0.8
85.02863	0.5
85.10159	1.2
86.06078	0.6
91.05488	2.1
93.07054	13.9
95.08616	15.7
96.08136	2.3
97.06537	1.4
97.10176	5.6
100.07646	1.6
105.04493	0.6
105.07030	0.8
107.08606	6.6
109.10168	5.9
110.09684	0.9
111.08073	0.6
111.11729	1.5
114.09177	1.2
121.10152	12.3
123.11732	1.6
135.11699	5.8
137.13281	0.7
138.12779	0.6
148.20525	0.5
149.13252	1.6
153.54160	0.5
184.20711	0.5
247.24231	2.6
252.26817	1.0
254.24875	0.6
264.26889	11.4
266.24841	0.6
272.25870	6.8
282.27921	14.3
283.28552	0.5
300.29010	1.6
474.81454	0.6
488.48392	1.1
518.49414	4.8
536.50421	100.0
537.50751	4.7
554.51459	24.5
555.51880	1.2
556.48370	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.5
57.54128	0.4
60.47866	0.5
63.81513	0.4
64.58260	0.5
65.68179	0.4
69.03425	2.5
70.06596	2.5
71.05001	0.4
71.48888	0.8
72.08145	0.6
81.03392	1.8
84.08113	0.8
85.02902	3.8
86.09697	1.4
97.02879	1.2
99.04459	0.6
107.04971	0.6
109.02862	0.9
110.07163	0.5
115.05460	16.1
127.03947	0.9
131.04932	13.8
132.05299	0.5
136.07603	1.1
136.08611	0.4
137.05992	3.3
143.03824	0.9
143.04930	15.1
151.03966	1.2
159.04424	2.7
163.03941	0.9
187.03914	100.0
188.04308	1.8
205.04959	1.5
301.58499	0.5
303.05191	0.7
331.08057	1.8
339.12256	0.5
349.09216	2.9
444.87668	0.5
715.26184	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.5517
Annotation	Soyacerebroside I
Peak:m/z	Relative Intensity
53.03933	2.7
55.05517	12.3
56.05033	2.9
56.61355	1.5
57.07076	8.4
60.04531	23.5
60.10619	1.4
65.03916	2.1
67.05174	2.9
67.05510	32.1
69.06791	1.5
69.07077	17.1
70.06588	4.5
71.08621	5.5
72.04517	2.6
79.05495	16.9
81.07066	36.5
82.06589	3.4
83.04970	2.2
83.08623	13.3
84.08147	2.9
84.12971	1.5
85.10166	1.9
86.06061	3.7
91.05484	27.0
93.07049	21.2
94.06574	2.7
95.04993	3.0
95.08005	1.9
95.08611	28.9
96.08163	2.5
97.06524	2.9
97.10188	4.2
98.06046	1.5
105.07055	16.5
107.08589	9.2
108.08159	1.5
109.06549	1.6
109.10150	10.9
111.11707	1.7
112.07639	2.9
117.07037	2.1
119.08572	19.4
121.10165	7.8
122.04489	1.8
123.08099	1.7
123.11697	4.4
133.10133	10.9
135.11700	4.3
137.09543	2.2
137.97787	1.8
147.11710	4.3
161.13289	2.4
168.24606	1.7
175.92450	1.6
245.22675	9.0
262.25354	33.5
263.23630	7.6
268.26419	2.0
272.25946	3.4
280.26367	69.8
298.27426	10.0
516.47656	3.1
534.48865	100.0
535.49066	3.8
552.49927	41.1
573.48608	2.5
681.97736	1.8
722.19727	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.7
55.01875	1.3
57.03438	0.7
60.62010	0.1
61.02908	0.6
65.03922	0.3
68.99787	1.1
69.03435	5.2
69.11983	0.6
69.12410	0.8
70.06573	0.4
71.01340	0.2
71.05010	0.7
73.02918	1.1
78.89034	0.1
81.03423	6.4
82.59007	0.1
83.01329	0.2
85.02911	8.8
87.00311	0.2
87.00832	4.3
91.03955	0.4
93.03384	0.3
94.01599	0.1
95.04953	0.3
97.02312	0.2
97.02903	2.9
98.21471	0.3
99.03872	0.2
99.04460	1.9
101.02388	0.1
105.01877	2.3
109.02883	4.9
111.00791	1.0
115.03960	0.1
117.01868	0.9
121.02821	0.9
123.04447	0.2
127.03924	7.1
129.01859	0.5
134.00737	0.1
135.04358	0.2
137.02345	2.7
140.35869	0.1
145.04987	2.5
147.02879	0.5
149.02347	0.4
153.01834	3.5
156.01190	0.2
159.02895	3.2
161.05992	0.2
163.03928	0.6
165.01830	1.9
166.02689	0.3
171.22112	0.1
173.06029	0.3
183.02956	0.8
183.04329	0.2
187.03937	0.2
191.03488	0.2
195.02829	0.3
201.05504	1.4
205.05022	0.2
213.03783	0.2
215.03207	0.2
219.06644	0.3
228.04282	0.2
229.04958	3.8
231.05020	0.9
247.06052	0.7
257.04480	2.4
274.04764	0.5
280.07013	0.2
285.04010	1.1
286.04688	0.2
303.04999	100.0
304.05359	2.0
315.04980	0.6
316.05399	0.4
327.04913	0.2
345.06027	0.9
369.06042	0.2
387.07269	0.2
465.10318	9.9
466.10709	0.2
515.07947	0.2
523.02997	0.1
533.09601	0.1
664.64410	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.1
55.01879	0.4
61.02959	0.1
64.73045	0.2
68.99803	0.3
69.03413	0.3
69.46532	1.0
70.06577	0.6
71.04984	0.4
72.08147	0.3
81.03419	0.5
84.08120	0.3
85.02904	0.9
86.09687	0.2
87.00825	0.2
95.05007	0.2
97.02885	0.3
99.04460	0.2
106.32808	0.2
109.02888	0.3
109.59444	0.1
120.08092	0.2
121.02834	0.2
123.00855	0.6
123.04414	0.2
123.26289	0.1
127.03954	0.4
129.10205	0.2
131.04915	0.2
136.07608	0.4
137.02347	4.4
137.03415	0.4
137.07895	0.2
139.03922	0.2
141.01810	1.8
145.04863	0.2
149.02344	0.2
149.05997	0.2
151.03922	0.1
159.02907	0.2
161.06111	0.1
163.03882	1.7
165.01834	2.4
171.04478	0.2
177.05438	0.2
183.02911	1.1
185.05957	0.2
187.03903	0.6
189.05499	0.2
199.03821	0.2
213.05602	0.6
217.04999	0.5
219.03062	0.1
229.04942	0.2
241.04982	1.5
259.05933	0.7
269.04623	0.2
287.05515	0.5
288.00812	0.2
303.04990	4.3
314.04181	0.2
315.04974	100.0
316.05286	3.1
357.06052	0.4
385.05383	0.8
399.14493	0.2
434.27722	0.1
465.10437	0.4
477.10300	10.3
478.10669	0.4
623.15668	0.4
633.10333	0.2
682.16559	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.1
55.01853	1.1
65.03940	1.4
67.05488	2.6
69.03424	1.3
69.66865	1.3
69.67275	2.9
70.06606	5.2
71.04996	1.0
72.08145	1.4
79.05489	1.2
81.05822	0.8
81.07072	1.0
84.08119	1.0
85.02888	0.9
86.09684	1.8
91.05479	2.7
93.05788	2.4
93.07027	1.2
94.06557	2.8
95.04974	1.6
96.08115	0.9
98.20822	0.9
103.25413	0.9
105.07046	1.4
106.06567	1.0
107.07332	1.1
108.04477	1.9
108.08119	48.4
109.06561	1.0
110.06064	1.0
110.09679	1.6
115.44469	0.8
118.06618	1.2
119.04939	0.9
120.08092	3.4
122.06024	2.7
122.09649	2.4
124.07596	2.4
132.08073	1.9
134.05962	1.8
134.09648	3.0
135.06796	1.1
136.07584	100.0
137.05965	3.5
137.08087	1.0
138.09138	6.1
144.08072	1.3
144.64777	0.9
146.06010	1.9
147.06773	1.6
148.04041	1.1
148.07547	3.7
150.09146	2.9
152.07056	2.7
154.08615	6.0
160.07567	2.8
162.09151	7.7
164.07069	29.1
165.07574	0.8
166.08611	5.9
168.06549	2.6
172.07561	2.6
174.09140	3.1
175.08710	3.3
176.07051	2.7
178.08644	3.6
180.06404	0.9
180.10205	4.0
182.08191	1.3
188.07175	1.2
189.10234	2.3
190.08658	7.7
199.08789	1.7
200.07095	1.5
200.10777	1.1
201.06599	1.3
202.08618	1.6
202.12285	1.4
203.08182	6.5
204.06516	1.3
206.08145	13.5
208.09706	8.6
213.06589	0.8
213.10208	2.0
215.08124	1.5
217.09718	9.2
218.08171	6.1
220.09682	1.3
227.08192	5.9
228.08775	1.2
229.09694	2.4
230.08107	1.0
235.10690	2.1
239.11810	0.9
241.09717	3.8
243.07779	1.2
243.11269	1.8
245.09222	8.7
246.07533	1.0
247.10818	3.9
253.09662	1.5
255.07671	2.5
255.11099	1.0
259.10721	1.2
261.08981	0.9
263.10287	28.0
264.10754	1.0
269.09164	4.6
271.10648	2.3
273.08633	3.6
279.11502	0.9
287.10278	5.6
289.08252	1.2
289.11752	1.8
291.09756	20.2
297.08572	2.7
301.15375	1.1
313.11807	0.9
315.05945	1.3
315.09717	6.6
315.17105	1.5
316.10364	1.2
317.11420	1.1
323.12387	91.0
325.15424	3.5
333.12158	0.9
335.13742	1.0
343.09488	4.3
343.16516	10.1
347.12378	4.8
349.14120	1.3
353.14938	9.2
357.10760	1.0
371.16064	22.7
373.17850	1.1
375.11914	10.8
376.12494	2.3
379.07980	0.8
404.15964	1.2
434.17172	1.3
445.10654	1.3
450.16324	1.4
451.09656	1.2
452.18280	1.9
478.16351	1.6
480.17908	2.0
498.18909	1.4
510.18430	3.1
512.20300	6.1
528.19775	6.1
530.21210	4.8
547.14380	1.7
615.24463	1.3
625.22388	1.4
633.25092	2.6
643.23645	3.1
647.26807	1.4
661.24976	9.4
665.28345	3.9
675.26721	3.9
693.27655	42.6
694.27948	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.9
56.28221	0.6
56.65763	0.6
58.35499	0.6
65.03937	1.0
67.05501	3.1
67.39659	0.6
69.03410	0.7
69.69255	3.9
69.80788	0.6
70.06582	2.5
71.05006	1.8
72.08157	0.9
76.78082	0.7
79.05493	1.1
80.05003	1.0
81.07058	1.2
84.08158	1.2
85.02914	1.0
86.09711	1.3
91.05479	2.5
93.05783	3.1
93.07038	1.6
94.06569	2.1
95.04979	0.9
97.06529	0.7
98.06062	0.8
98.20780	1.2
106.06564	1.0
107.07359	1.0
108.04503	2.2
108.08129	45.9
109.06507	1.8
110.06036	0.8
110.07191	2.4
110.09716	0.8
117.05729	0.9
117.07090	0.9
119.04963	0.6
120.08125	2.7
121.06574	0.9
122.06029	1.3
122.09696	1.7
124.03984	1.1
124.07609	0.9
132.08098	1.8
133.06537	1.0
134.06026	1.7
134.09660	2.5
136.07591	100.0
137.06055	1.0
137.08247	1.0
138.09175	4.8
140.07079	0.9
144.08109	1.3
146.05997	0.8
147.06793	1.6
148.07619	3.2
150.05501	0.8
150.09132	3.3
152.07072	1.4
154.08655	4.3
160.07588	2.7
162.05553	0.9
162.09154	6.7
164.07085	27.8
165.01881	0.7
166.08617	5.9
168.06615	1.6
172.07602	1.7
174.09178	2.3
175.08665	3.1
176.03569	0.7
176.07115	3.0
176.09459	1.6
178.08647	3.7
180.10201	4.2
186.09163	0.7
188.07103	2.6
189.06581	0.9
189.10275	2.5
190.08669	8.7
199.08705	2.0
200.07144	1.5
201.06607	1.9
201.10266	1.5
202.08667	1.1
203.08194	7.5
206.08153	13.4
207.09116	0.7
207.11392	1.3
208.09657	7.8
213.10242	2.2
215.08099	0.9
217.09807	7.3
218.08157	6.1
220.09724	1.1
225.10251	0.7
227.08162	5.3
228.08748	0.7
229.09790	2.8
231.07697	0.8
235.10791	1.6
239.11852	0.7
241.09799	3.3
243.07671	1.3
243.11279	1.0
245.09285	7.8
247.10852	3.6
255.07701	2.3
259.10855	1.0
263.10294	26.9
269.09149	3.5
271.10977	1.5
273.08539	4.6
283.06311	0.7
283.10770	0.9
287.10327	5.4
289.08276	1.4
289.11899	1.1
291.09775	20.7
295.06079	0.9
297.08813	1.9
299.10452	0.9
301.15311	1.5
311.10461	0.9
315.05151	0.7
315.06461	0.7
315.09781	5.9
316.10550	1.6
317.11249	1.1
323.12399	81.9
324.12781	1.7
325.07590	1.1
325.15533	3.0
337.06976	0.9
343.09711	1.6
343.16586	7.9
344.16885	0.9
347.12317	6.0
349.13898	1.8
353.14990	9.9
359.12454	0.9
371.16071	20.8
373.17734	1.3
375.11905	8.9
407.16119	0.7
450.16452	1.2
452.17972	1.7
478.16101	1.4
480.17426	1.6
496.17130	1.1
498.18805	2.0
510.18747	2.4
512.20099	5.7
528.20020	3.4
530.21326	4.3
534.89880	0.7
547.14935	1.0
615.24762	1.5
633.25519	2.9
643.23798	2.5
647.26666	1.1
661.24847	7.8
665.27722	3.1
675.26996	3.5
693.27661	39.5
694.27979	1.9
711.39520	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91320	0.5
56.96565	19.6
62.75267	0.5
65.84381	0.5
68.96570	0.9
71.46837	0.8
71.95263	2.2
84.96039	8.6
89.03924	1.4
97.02876	0.6
97.96796	2.7
98.97591	85.0
102.97073	1.0
109.10528	0.5
110.97578	30.7
112.99126	4.8
113.26048	0.5
115.97838	1.4
116.98628	28.6
117.03390	1.1
124.99102	3.2
126.97064	0.9
128.98616	27.6
131.00177	4.4
134.99644	6.0
135.04433	1.8
137.05959	0.8
140.98582	3.1
143.00177	9.3
144.98106	1.7
145.02843	1.1
146.99663	8.7
147.04463	0.8
149.01234	1.6
152.00140	0.6
152.98618	5.3
158.99655	8.6
160.99214	0.9
161.01230	6.8
162.99190	1.2
163.03914	8.7
164.04167	0.6
165.00761	1.3
170.99672	12.2
173.01253	0.6
177.00728	7.5
179.00218	1.5
179.02275	1.4
179.66997	0.6
182.99637	1.0
185.01334	0.9
189.00694	6.4
193.01767	0.9
193.98903	2.1
194.99519	0.5
195.03349	1.0
197.01215	1.6
201.00670	8.9
202.57515	0.6
207.01721	0.7
208.00467	2.5
211.02890	0.9
211.99971	2.1
213.04388	1.7
219.01779	69.8
220.02203	0.9
223.02800	6.8
226.01508	7.2
227.02318	0.8
230.00992	0.6
235.02800	17.4
237.02827	100.0
238.01378	1.4
238.03476	0.9
241.03859	13.0
242.03461	1.4
244.02649	1.6
245.03407	1.5
247.02756	0.8
249.04544	0.6
251.02254	0.7
253.03874	12.8
255.01717	2.3
255.03963	4.4
256.02621	1.0
259.04883	2.8
260.02078	2.8
260.04614	1.2
263.04404	10.0
265.03766	3.4
269.03326	1.5
271.04880	5.2
273.02808	1.3
277.03876	1.3
278.03180	1.8
279.05356	0.8
281.05646	2.7
283.04996	2.0
290.01123	1.5
295.04892	2.3
301.03735	0.8
305.03418	0.8
307.04980	1.0
313.06033	0.7
319.04852	2.6
325.06012	1.2
337.05927	5.7
349.05923	1.0
353.05536	1.8
355.07040	1.5
367.07062	7.8
371.06616	1.2
379.07263	1.3
385.08124	4.7
397.08066	9.7
415.09146	51.9
416.09229	1.7
433.10223	29.3
456.11929	1.6
485.09732	2.6
487.11258	26.6
488.11496	0.9
513.09149	1.8
531.10223	3.5
577.12354	0.9
595.13379	73.4
596.13843	2.9
616.48346	0.5
651.90436	0.5
711.13654	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14935	1.3
56.05023	1.7
65.03931	2.0
67.05503	2.5
69.03422	1.8
69.37489	12.0
70.06592	10.9
72.08158	3.6
75.48611	1.6
79.05487	3.6
81.07082	2.5
84.08135	5.6
85.02931	1.9
86.09715	6.9
91.05481	3.5
93.05785	4.9
94.06580	4.1
97.06542	1.6
106.06573	2.6
108.08121	94.2
109.06537	1.7
116.05012	2.1
118.06516	1.9
119.07281	1.6
120.08095	4.6
122.06025	4.9
124.07594	2.3
129.10257	4.3
132.08011	2.0
134.06018	5.0
134.09637	4.3
136.07587	92.7
137.05978	2.3
138.09132	4.2
144.04463	2.8
146.05995	2.8
148.07590	3.7
152.07066	5.0
154.08641	3.6
160.07626	4.4
162.05490	2.8
162.09151	9.7
164.07079	15.1
166.08679	2.4
172.03949	16.8
172.07581	1.6
178.08664	2.8
180.10188	6.1
186.09172	3.0
187.08659	3.2
190.05045	1.9
190.08681	7.9
196.07561	2.4
198.09219	2.1
200.10696	1.9
202.08640	1.8
202.11026	3.4
203.11841	7.7
204.06612	23.6
206.08156	13.9
208.09651	14.8
211.08723	2.2
213.10280	5.2
214.08620	12.8
215.08145	9.8
217.09778	2.3
218.08195	3.3
220.09665	1.8
227.08125	1.8
227.11922	2.4
228.10106	3.1
229.09689	2.2
231.11317	5.6
237.10179	2.1
239.08075	2.8
240.09026	2.0
241.09755	5.8
242.08121	2.5
243.07652	7.6
245.09233	4.6
255.11200	9.3
256.09674	3.3
257.12848	3.7
259.10806	89.6
261.08691	4.3
267.07660	3.9
269.09204	5.6
269.12906	2.0
271.07379	2.4
271.10822	2.9
273.12372	5.4
279.09998	2.0
283.10806	5.5
287.13989	2.3
288.11371	1.6
289.08224	17.1
295.07266	4.0
301.11850	71.1
303.13208	1.8
307.09283	2.2
313.08167	4.2
315.09549	2.9
319.12909	100.0
321.10709	4.2
323.10199	4.4
337.14044	20.6
339.11899	26.8
341.07678	3.2
343.16577	16.8
353.15033	5.6
355.12909	4.8
371.16156	7.5
391.11356	8.8
478.16022	2.2
478.45966	1.6
496.16827	3.6
528.19666	4.7
544.18915	3.7
546.20917	7.1
631.23651	6.5
645.24744	1.6
655.24341	2.5
659.22974	5.9
663.26550	5.4
673.24774	7.0
681.27795	13.3
691.25848	5.2
709.26904	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	709.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14935	1.3
56.05023	1.7
65.03931	2.0
67.05503	2.5
69.03422	1.8
69.37489	12.0
70.06592	10.9
72.08158	3.6
75.48611	1.6
79.05487	3.6
81.07082	2.5
84.08135	5.6
85.02931	1.9
86.09715	6.9
91.05481	3.5
93.05785	4.9
94.06580	4.1
97.06542	1.6
106.06573	2.6
108.08121	94.2
109.06537	1.7
116.05012	2.1
118.06516	1.9
119.07281	1.6
120.08095	4.6
122.06025	4.9
124.07594	2.3
129.10257	4.3
132.08011	2.0
134.06018	5.0
134.09637	4.3
136.07587	92.7
137.05978	2.3
138.09132	4.2
144.04463	2.8
146.05995	2.8
148.07590	3.7
152.07066	5.0
154.08641	3.6
160.07626	4.4
162.05490	2.8
162.09151	9.7
164.07079	15.1
166.08679	2.4
172.03949	16.8
172.07581	1.6
178.08664	2.8
180.10188	6.1
186.09172	3.0
187.08659	3.2
190.05045	1.9
190.08681	7.9
196.07561	2.4
198.09219	2.1
200.10696	1.9
202.08640	1.8
202.11026	3.4
203.11841	7.7
204.06612	23.6
206.08156	13.9
208.09651	14.8
211.08723	2.2
213.10280	5.2
214.08620	12.8
215.08145	9.8
217.09778	2.3
218.08195	3.3
220.09665	1.8
227.08125	1.8
227.11922	2.4
228.10106	3.1
229.09689	2.2
231.11317	5.6
237.10179	2.1
239.08075	2.8
240.09026	2.0
241.09755	5.8
242.08121	2.5
243.07652	7.6
245.09233	4.6
255.11200	9.3
256.09674	3.3
257.12848	3.7
259.10806	89.6
261.08691	4.3
267.07660	3.9
269.09204	5.6
269.12906	2.0
271.07379	2.4
271.10822	2.9
273.12372	5.4
279.09998	2.0
283.10806	5.5
287.13989	2.3
288.11371	1.6
289.08224	17.1
295.07266	4.0
301.11850	71.1
303.13208	1.8
307.09283	2.2
313.08167	4.2
315.09549	2.9
319.12909	100.0
321.10709	4.2
323.10199	4.4
337.14044	20.6
339.11899	26.8
341.07678	3.2
343.16577	16.8
353.15033	5.6
355.12909	4.8
371.16156	7.5
391.11356	8.8
478.16022	2.2
478.45966	1.6
496.16827	3.6
528.19666	4.7
544.18915	3.7
546.20917	7.1
631.23651	6.5
645.24744	1.6
655.24341	2.5
659.22974	5.9
663.26550	5.4
673.24774	7.0
681.27795	13.3
691.25848	5.2
709.26904	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	708.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11459	1.7
55.05500	7.4
56.70818	1.8
57.03448	2.9
61.02933	20.8
67.05509	31.5
69.03432	4.1
69.07040	5.8
71.04974	2.5
71.48444	2.4
73.02906	7.6
79.05495	24.3
81.03429	3.1
81.07057	33.2
83.08622	3.7
85.02901	30.5
85.29629	2.2
87.65386	1.9
91.03415	2.4
91.03952	22.7
91.05481	14.0
93.07034	26.1
95.08605	32.0
97.02896	16.0
97.10153	4.1
105.07043	10.8
107.08605	19.4
109.10152	20.4
110.50675	2.0
117.07003	5.5
119.08576	8.2
121.10152	20.8
123.11706	12.8
127.03903	9.4
131.08572	10.1
133.10143	9.2
135.11700	17.3
137.13240	3.1
145.04974	14.6
145.10133	12.4
147.11687	8.1
149.13255	15.8
151.14806	2.6
159.11667	6.3
161.13258	5.9
163.06012	19.8
163.14838	13.9
173.13254	11.9
175.14885	3.1
177.16400	4.8
179.14284	2.8
187.14755	3.3
233.22713	3.1
243.21124	29.1
261.22144	100.0
262.22458	3.0
335.25763	13.7
353.26859	51.4
354.27386	2.3
495.02594	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.7
67.05488	0.8
69.03419	0.7
70.06623	0.9
70.98380	1.3
77.89359	0.6
79.01599	0.6
79.05494	0.9
81.03438	0.9
81.07056	1.0
84.08126	0.9
85.02928	1.0
93.07042	1.2
95.08634	1.0
97.06532	0.8
97.19316	0.6
105.07040	1.0
107.08617	1.0
109.10160	0.8
109.52998	0.6
119.08598	1.4
125.09669	0.8
125.50361	0.6
127.03957	0.8
133.10175	0.8
151.10893	0.7
186.37099	0.7
199.35817	0.7
315.18405	0.6
406.49841	0.6
439.93744	0.7
441.26254	0.8
441.34338	0.8
482.15930	2.8
484.13593	1.5
486.11801	0.8
497.13861	2.1
497.18451	2.8
498.15192	1.0
499.17166	3.1
500.13406	1.2
507.16766	0.8
511.16095	1.3
512.17267	6.8
513.18024	2.0
514.14880	4.0
515.15613	3.2
522.18744	1.8
523.16968	1.0
525.17792	11.6
526.18042	1.1
527.15576	6.0
528.16345	1.4
529.17181	3.2
530.18024	0.8
539.18982	2.9
555.18964	2.5
571.19226	1.6
573.23059	0.9
574.17010	1.0
585.19922	0.7
603.20959	1.6
615.20844	2.5
616.21881	6.8
617.22748	1.0
632.20630	0.8
646.22943	1.2
675.22742	2.8
676.23596	4.9
689.23608	1.4
707.25592	100.0
708.26068	6.7
719.13721	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.6
60.49245	0.4
61.24728	0.4
69.60735	0.4
71.47895	0.7
75.91016	0.4
81.03390	0.6
82.99414	0.6
82.99874	1.5
85.02840	0.5
88.37642	0.4
89.31989	0.4
94.99805	0.5
101.00880	7.3
101.83246	0.4
104.59144	0.4
107.60996	0.5
109.02875	0.5
110.01462	0.6
110.82206	0.4
113.00874	2.2
115.02483	0.6
119.01053	0.5
119.01930	8.4
122.01385	4.9
122.51427	1.0
127.02451	2.3
128.01367	1.9
128.38197	0.5
129.00377	0.7
131.01047	0.7
131.01918	7.9
131.51990	0.9
133.03494	0.6
134.01180	0.4
137.01929	3.1
137.51967	0.6
139.02357	1.0
143.01904	24.3
143.51982	1.0
145.03487	5.7
149.01913	1.7
152.02458	3.8
155.01907	11.8
156.02055	0.5
157.03503	3.3
158.02420	0.7
161.02968	12.4
162.56825	0.4
163.03944	1.4
164.02434	1.3
164.52477	0.5
167.01878	9.5
169.03436	3.0
170.02422	0.8
171.05052	1.8
173.02979	18.3
173.53056	1.7
179.01729	4.0
179.03198	0.8
181.03526	0.7
185.02968	33.5
186.03035	1.0
187.04546	2.6
191.04041	0.5
194.03423	0.7
197.02954	13.7
199.04475	0.5
203.04013	12.4
203.05762	0.9
203.54149	1.3
209.03040	1.3
212.04701	0.8
215.04022	7.6
221.03009	1.5
221.04936	0.6
224.04529	1.5
227.04007	7.4
239.03831	2.5
245.05089	100.0
246.05318	1.7
254.05627	1.3
257.05096	5.3
263.04047	1.1
263.06223	10.7
275.06253	11.0
277.05676	0.5
284.06674	5.0
284.56674	1.2
293.07199	2.5
305.03738	0.6
305.07233	10.5
317.07571	0.8
335.08194	2.9
347.08438	0.7
353.28503	0.4
365.09412	44.1
365.59518	1.2
366.09482	1.2
383.07877	3.4
386.61871	0.5
407.10245	0.6
413.99002	0.5
425.11426	32.7
426.11658	0.7
437.11493	1.4
455.12369	1.9
485.13065	0.6
533.70551	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.6
60.49245	0.4
61.24728	0.4
69.60735	0.4
71.47895	0.7
75.91016	0.4
81.03390	0.6
82.99414	0.6
82.99874	1.5
85.02840	0.5
88.37642	0.4
89.31989	0.4
94.99805	0.5
101.00880	7.3
101.83246	0.4
104.59144	0.4
107.60996	0.5
109.02875	0.5
110.01462	0.6
110.82206	0.4
113.00874	2.2
115.02483	0.6
119.01053	0.5
119.01930	8.4
122.01385	4.9
122.51427	1.0
127.02451	2.3
128.01367	1.9
128.38197	0.5
129.00377	0.7
131.01047	0.7
131.01918	7.9
131.51990	0.9
133.03494	0.6
134.01180	0.4
137.01929	3.1
137.51967	0.6
139.02357	1.0
143.01904	24.3
143.51982	1.0
145.03487	5.7
149.01913	1.7
152.02458	3.8
155.01907	11.8
156.02055	0.5
157.03503	3.3
158.02420	0.7
161.02968	12.4
162.56825	0.4
163.03944	1.4
164.02434	1.3
164.52477	0.5
167.01878	9.5
169.03436	3.0
170.02422	0.8
171.05052	1.8
173.02979	18.3
173.53056	1.7
179.01729	4.0
179.03198	0.8
181.03526	0.7
185.02968	33.5
186.03035	1.0
187.04546	2.6
191.04041	0.5
194.03423	0.7
197.02954	13.7
199.04475	0.5
203.04013	12.4
203.05762	0.9
203.54149	1.3
209.03040	1.3
212.04701	0.8
215.04022	7.6
221.03009	1.5
221.04936	0.6
224.04529	1.5
227.04007	7.4
239.03831	2.5
245.05089	100.0
246.05318	1.7
254.05627	1.3
257.05096	5.3
263.04047	1.1
263.06223	10.7
275.06253	11.0
277.05676	0.5
284.06674	5.0
284.56674	1.2
293.07199	2.5
305.03738	0.6
305.07233	10.5
317.07571	0.8
335.08194	2.9
347.08438	0.7
353.28503	0.4
365.09412	44.1
365.59518	1.2
366.09482	1.2
383.07877	3.4
386.61871	0.5
407.10245	0.6
413.99002	0.5
425.11426	32.7
426.11658	0.7
437.11493	1.4
455.12369	1.9
485.13065	0.6
533.70551	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
54.52774	0.8
55.05508	3.7
57.03453	1.1
57.07090	1.1
65.03954	1.2
67.05508	14.2
68.05839	1.6
69.03437	3.9
69.07078	3.5
69.23499	3.9
69.23920	4.5
71.04991	11.4
76.21152	0.8
79.05496	11.0
80.05830	1.5
81.03420	9.7
81.07060	16.8
82.07407	1.7
83.04986	1.0
83.08630	1.5
85.06589	1.1
86.35541	0.8
87.04468	7.0
91.05495	10.4
92.05843	1.0
93.07056	11.7
94.07404	2.2
95.04982	1.8
95.08617	6.5
97.02921	2.5
97.06532	2.4
97.70519	0.9
105.04590	1.0
105.07055	6.4
106.07412	1.4
107.04897	1.1
107.08601	6.6
108.08952	1.2
109.02876	2.6
109.06573	1.4
109.10168	2.4
111.04480	1.6
111.08115	1.0
117.07066	2.6
119.08608	2.8
120.08945	1.2
121.09394	1.0
121.10144	4.9
122.10562	1.3
123.11740	2.8
127.03922	1.1
131.08609	3.3
133.10127	4.5
135.11716	1.4
145.10152	2.1
149.13318	2.4
151.11246	2.0
159.11777	3.4
160.12117	1.0
161.13351	1.6
163.66312	0.8
165.56107	1.0
173.04520	2.4
177.12842	1.9
183.13878	1.4
187.13428	2.6
195.13788	1.7
201.14886	1.1
240.11128	1.0
257.17621	1.1
277.21594	1.2
327.47061	0.9
340.18707	1.1
345.14709	1.0
349.27438	1.2
391.64923	1.1
417.16141	1.6
418.17007	1.7
432.18265	3.7
446.20007	7.3
447.20645	2.4
460.17267	2.7
460.22107	2.6
461.21820	1.6
470.64511	1.2
474.19781	3.9
475.20328	3.1
476.21497	1.1
488.20676	1.5
490.22531	1.7
500.24887	2.0
502.22391	3.5
516.24689	2.3
517.24786	7.5
518.39099	1.1
530.22083	2.5
532.27374	4.8
545.24304	8.9
546.25220	2.8
548.25934	1.4
549.25201	2.0
560.26520	17.1
561.26685	1.4
562.24768	1.4
562.41815	1.0
576.26068	2.9
604.29480	4.7
609.27014	3.3
618.31067	5.6
619.32007	5.7
632.28735	14.4
633.29102	1.7
646.30432	2.3
647.31018	61.9
648.31329	3.3
674.42737	2.2
705.45728	2.0
706.32538	100.0
706.45905	12.0
707.33038	6.5
707.43671	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4029
Annotation	Voacamidine
Peak:m/z	Relative Intensity
55.05509	0.7
64.70667	0.3
66.66866	0.3
67.05497	1.4
69.03425	0.5
69.34324	3.1
71.04988	0.5
79.05497	1.3
81.03436	0.5
81.07056	1.5
91.05492	1.6
93.07056	1.0
95.08611	1.1
105.07067	0.5
107.08621	0.5
114.84362	0.4
121.10104	0.4
151.11171	0.4
152.29019	0.3
158.75278	0.4
185.04285	1.3
203.05328	0.4
259.07904	0.7
296.60489	0.4
347.09784	0.9
475.21463	0.7
481.22726	0.5
543.35089	22.9
544.35541	1.0
597.27045	0.5
608.26764	2.1
629.29956	0.5
655.27551	0.9
673.28473	1.1
683.97504	0.4
687.29840	0.7
705.40411	100.0
706.40234	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	705.4572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	2.1
53.03947	13.9
53.52046	1.7
55.01864	5.5
55.05514	21.3
57.03454	4.7
57.07049	2.6
57.62136	1.7
65.03938	5.6
67.05508	93.7
69.03434	24.5
69.07071	14.8
69.08562	1.8
69.13308	22.1
71.04995	61.4
79.05495	71.6
81.02934	2.2
81.03421	51.1
81.07061	100.0
83.04982	14.1
83.08649	10.6
85.02908	6.0
85.06548	9.9
87.04465	3.7
91.05486	64.6
93.07050	69.9
95.04961	14.1
95.08602	39.4
97.02898	13.4
97.06551	7.6
97.10181	3.5
99.04465	5.9
99.08115	3.2
105.04528	4.0
105.07045	41.0
107.04987	3.3
107.08607	34.9
109.02882	14.0
109.06536	6.6
109.10155	17.0
111.04452	7.0
111.08091	2.2
115.05525	2.1
117.07030	14.6
119.08592	17.2
121.06569	3.6
121.10156	20.5
123.08044	3.7
123.11703	12.9
125.09689	3.0
127.03944	10.1
128.06206	3.5
129.07068	2.3
131.04974	2.2
131.08568	17.4
133.10132	29.3
135.08052	3.4
135.11679	14.5
143.08582	4.5
145.10112	9.8
147.11716	14.2
149.09616	2.8
149.13242	17.3
151.11203	8.3
155.08586	2.9
157.10153	2.9
159.11691	18.9
161.13275	7.4
163.14896	2.8
165.12842	2.1
169.12312	2.7
171.06487	2.0
171.11708	2.9
173.04465	14.6
173.13289	5.0
175.11217	5.1
177.12769	8.3
183.11778	2.5
183.13850	11.3
185.13405	2.4
187.13255	16.3
187.14748	3.1
195.13870	9.9
201.14929	6.2
205.16212	1.9
243.16005	2.0
257.17563	5.4
259.20682	3.0
261.22281	8.4
269.17538	4.0
335.25912	7.2
339.18073	11.8
341.24783	2.6
349.27478	7.2
351.23410	2.6
369.24405	5.6
387.25525	3.5
395.20847	4.1
405.26486	2.6
427.23532	4.2
443.28162	2.1
446.20139	2.4
461.29276	4.4
475.21368	2.3
501.39069	2.3
503.37161	2.4
517.24457	2.6
517.39258	13.3
529.39032	3.8
561.41296	5.9
608.26434	4.1
619.32056	2.3
629.41400	2.7
632.28949	3.9
646.30536	9.7
647.31049	13.3
655.42554	2.5
673.43341	9.4
705.45752	69.4
706.32709	21.3
706.44757	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	705.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.1
55.01868	2.0
55.05507	4.8
57.03440	2.1
58.06967	1.0
61.02924	1.3
65.03931	1.7
66.83307	0.9
67.05504	20.8
69.03435	9.4
69.07078	4.8
70.06589	4.5
71.04980	2.6
72.08164	1.6
79.05502	5.3
81.03419	17.8
81.07057	16.3
83.04974	2.9
83.08625	4.3
84.04504	3.9
84.08130	1.2
85.02909	6.0
85.06573	2.2
86.09708	4.1
87.00826	1.9
89.06026	4.8
91.05499	5.0
93.07053	8.3
95.04991	6.6
95.08622	12.2
97.02888	6.0
97.06532	2.1
97.10165	1.4
99.04446	3.5
99.08085	1.4
102.05548	1.8
105.07044	6.4
107.08603	9.7
109.02882	19.5
109.06522	5.6
109.10163	46.8
111.08077	2.8
115.05456	1.2
117.06989	3.0
119.08582	5.4
120.08094	2.7
121.06573	1.6
121.10144	3.6
123.11713	1.7
125.06016	3.0
125.09644	12.2
127.03908	8.8
127.07558	1.5
128.06207	1.4
129.07019	3.8
129.10202	1.1
131.04919	1.5
131.08571	6.3
133.08635	2.9
133.10110	3.3
135.08049	4.3
135.11710	4.1
135.62331	1.0
137.06071	5.0
137.09622	100.0
141.07028	2.8
143.08589	1.9
145.10152	4.9
145.90089	1.0
147.11644	3.6
149.09619	1.7
151.07507	1.5
155.10698	6.2
157.06503	4.2
157.10207	1.8
158.07234	1.9
159.08095	5.0
159.11688	2.5
161.09653	1.9
163.07515	2.0
163.11205	3.3
165.09128	88.1
166.09450	1.9
169.06479	1.3
170.07323	1.3
171.11760	1.1
173.13231	1.3
174.06723	9.2
175.07504	3.6
183.10216	5.3
186.06876	1.5
187.07619	1.7
189.09114	18.7
191.10706	2.6
201.09125	6.7
201.11230	7.5
202.02576	1.3
203.10635	1.9
217.04993	2.1
219.10172	57.9
263.12692	1.2
282.13297	1.4
283.17557	2.1
287.10294	1.9
291.12274	4.5
309.09869	1.5
309.13388	29.2
327.14383	6.5
339.16492	1.7
345.15967	1.4
383.08536	1.4
401.09766	1.3
403.28467	1.2
440.33105	2.5
465.19681	1.3
559.76715	1.2
641.20874	1.3
705.28680	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.4068
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36308	0.5
53.03943	2.7
55.01867	1.2
55.05516	21.1
55.11078	0.4
57.03423	1.3
57.07081	7.9
57.18079	0.4
61.02941	1.2
67.05506	5.2
68.28740	0.5
68.99804	0.8
69.03433	6.3
69.07075	12.3
69.81580	2.7
70.06586	1.3
71.04992	1.3
71.08640	1.0
72.08170	0.5
73.02927	1.3
73.06566	2.3
79.05502	0.9
81.03429	6.7
81.07070	7.7
83.08625	41.7
85.02913	14.9
85.06557	0.7
85.50345	0.4
86.09697	0.6
87.00832	5.6
87.04480	3.9
89.06037	76.9
91.05453	0.6
93.07052	0.8
94.70965	0.4
95.08614	9.6
97.02896	4.3
97.10181	13.6
97.10793	0.9
98.20740	0.7
99.04482	1.8
99.52706	0.4
102.62094	0.5
105.01878	2.9
105.07040	0.7
107.07085	1.3
107.08627	0.7
109.02890	4.7
109.10162	7.3
111.63631	0.4
117.01790	0.5
117.09167	1.3
120.08143	0.7
123.11732	1.3
125.09621	0.7
127.03918	7.3
129.01884	1.1
130.08585	0.7
130.67352	0.5
131.07019	0.9
133.08612	39.3
137.09586	0.8
139.14862	1.3
145.04993	1.8
151.09633	0.6
159.02882	2.4
161.56833	0.4
165.09186	0.5
165.16475	0.8
177.11238	17.6
183.17415	0.5
184.77551	0.5
195.12329	2.2
197.68246	0.5
221.13802	3.5
227.20045	9.7
231.05023	1.1
232.91754	0.6
239.14888	1.7
249.06154	0.8
265.16464	1.4
271.22748	6.2
283.17542	23.6
285.25696	0.5
305.73471	0.5
309.13239	0.5
315.25482	0.8
333.26321	1.5
377.28897	1.5
421.31631	100.0
422.31888	1.6
439.32761	10.2
579.98828	0.6
594.13043	0.5
675.92084	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.01865	1.6
55.05516	23.6
56.85581	0.4
57.03440	1.4
57.06834	0.5
57.07080	6.3
60.84909	0.5
61.02918	1.4
67.05510	7.8
68.76720	0.5
68.99802	0.7
69.03434	7.8
69.07076	15.2
70.06603	3.0
71.05006	2.1
71.08626	1.2
73.02924	1.1
73.06556	3.3
79.05497	1.1
81.03423	6.8
81.07060	10.8
83.08623	49.1
84.08148	0.6
84.08953	0.5
85.02911	17.5
85.06547	1.1
86.09698	1.9
87.00836	7.2
87.04467	4.7
89.06034	91.2
91.07596	0.8
93.07058	1.0
95.08615	9.7
97.02892	5.1
97.10172	14.3
97.10795	0.9
99.04465	3.2
99.08089	0.9
102.31217	0.5
104.17319	0.5
105.01868	3.5
107.07088	1.2
109.02890	6.6
109.10160	8.3
115.03929	0.6
117.01849	1.3
117.09143	1.5
119.08578	1.1
120.08127	0.9
121.10088	0.5
123.11712	1.3
125.09566	0.5
127.03926	8.6
129.01810	1.1
130.08658	0.9
131.07036	0.8
133.08611	44.1
135.08093	0.8
139.14848	1.4
145.05002	2.0
147.02866	0.5
151.09663	0.7
159.02905	2.7
161.11792	0.5
165.16501	0.6
168.43471	0.4
175.09776	0.7
177.11230	18.3
195.12317	1.7
209.34358	0.5
221.13837	3.8
227.20061	9.7
227.22150	0.8
231.05035	0.7
239.14870	2.6
245.21140	0.8
265.16574	0.9
271.22693	5.6
283.17526	23.6
289.23746	0.6
333.26447	1.5
377.29068	1.4
421.31625	100.0
422.32037	2.2
439.32709	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	704.257
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05052	2.5
56.67027	1.2
58.06607	10.5
59.05021	1.5
70.02962	11.3
70.06600	1.3
71.23463	1.9
71.23803	1.8
75.87910	1.3
79.05495	1.5
81.07055	2.6
84.08124	1.6
91.05463	2.3
93.07060	1.3
93.35027	1.5
103.47086	1.4
104.74374	1.3
130.05020	32.2
242.89079	1.4
289.99460	1.3
385.13089	5.4
386.13757	8.5
387.14297	1.6
398.13562	2.2
399.14600	7.5
400.15390	24.7
401.15976	11.2
402.16586	2.3
410.12531	2.0
412.15445	1.8
413.16061	6.2
414.16989	9.4
415.17609	3.2
424.14767	2.0
425.14987	6.3
426.15573	1.7
427.17853	3.1
428.18384	5.8
429.13379	1.5
429.19333	24.8
438.16351	1.8
439.16495	2.3
440.17661	1.8
441.19318	3.0
454.18649	3.9
455.17010	1.5
456.17862	3.4
457.18625	4.0
469.18680	1.4
472.17282	2.6
474.18994	15.5
475.19324	2.3
480.16879	1.5
482.18030	2.2
486.19373	1.4
488.20490	2.9
496.19312	1.6
502.22153	8.7
503.22925	21.1
529.20782	5.0
530.21729	14.2
531.22339	34.3
532.22638	3.1
540.19653	2.9
547.21674	3.7
557.20288	3.1
571.22076	2.6
573.25824	4.1
575.21405	9.6
600.24445	5.5
601.23999	1.6
617.22791	2.1
632.27148	10.3
642.25470	1.5
643.20178	2.8
660.26666	100.0
661.26453	6.4
686.24353	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	703.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	7.3
55.01867	14.5
55.05516	36.3
57.03434	10.3
57.07085	3.3
60.58129	3.1
65.03943	7.7
67.05510	100.0
69.03426	6.8
69.07072	26.1
71.05012	3.9
79.05494	83.3
81.03417	3.9
81.07058	95.6
83.01331	5.4
83.04974	7.8
83.08599	21.8
85.02895	9.1
91.05485	69.6
93.03397	4.1
93.07050	76.9
95.01344	34.5
95.04983	11.3
95.08604	72.1
97.06535	7.6
97.10165	5.0
97.97171	3.4
98.21573	10.9
103.05480	7.4
104.06624	3.1
105.07031	66.5
107.04929	9.5
107.08598	41.3
109.06532	8.2
109.10165	27.5
111.08085	8.0
115.05434	8.8
116.78406	3.1
117.07024	33.6
119.04993	4.8
119.08586	51.1
121.06498	7.5
121.10169	33.3
123.04405	5.8
123.08029	3.9
123.11694	10.2
128.06224	7.8
129.07011	32.1
130.07802	3.1
131.04932	5.2
131.08568	55.1
133.06502	8.9
133.10136	39.6
133.60890	3.3
135.04376	9.4
135.08084	8.2
135.11705	17.9
137.06003	3.7
137.09634	5.1
137.13206	3.6
141.01839	3.2
141.06985	11.3
142.07733	4.3
143.08586	32.7
144.09435	4.0
145.06450	10.0
145.10144	42.9
147.04448	6.8
147.08031	6.7
147.11697	24.8
149.02386	4.4
149.05974	4.0
149.09630	6.6
149.13260	19.8
151.03885	8.0
155.08612	20.7
157.10126	32.2
159.04413	4.9
159.08054	7.7
159.11685	33.1
161.06044	4.2
161.09573	3.9
161.13263	11.3
163.03906	8.9
163.14877	6.3
165.05476	4.5
167.08556	7.9
169.10124	24.0
171.08128	4.1
171.11681	20.9
173.06099	8.3
173.09627	5.9
173.13263	18.3
175.03891	4.5
175.11215	4.3
175.14850	6.9
177.12721	9.3
179.08513	4.6
181.10115	10.9
183.08136	3.4
183.11678	22.1
185.05995	4.0
185.09686	5.0
185.13206	16.0
187.07593	5.5
187.11235	6.1
187.14848	9.5
189.05499	5.0
193.10149	5.2
193.12331	4.0
195.11694	14.4
197.06096	4.6
197.09692	5.7
197.13254	17.9
199.11185	5.9
199.14807	13.4
201.16432	4.9
209.13266	6.7
211.07480	3.6
211.14897	7.6
213.16399	6.3
215.10707	5.9
217.12276	3.5
221.13295	8.0
223.11290	5.6
223.14845	5.3
225.16426	7.0
233.11696	6.6
241.12151	4.7
241.19531	5.1
243.10086	5.8
243.21092	4.7
249.16365	3.8
255.21103	3.8
259.13541	3.5
259.20450	7.5
261.11200	5.3
261.22128	11.9
271.13306	3.8
287.12683	10.5
289.14337	10.6
297.22324	6.4
305.13617	3.7
309.22180	4.5
315.12299	8.2
317.24835	7.1
333.13281	51.5
333.24368	8.4
335.25864	24.2
351.14273	9.5
417.31641	5.1
425.18073	14.5
435.32532	18.6
453.33780	7.0
493.32800	5.6
509.36203	7.9
527.30127	6.1
527.37329	69.1
528.38043	35.1
529.38849	8.2
547.34021	4.4
551.03973	3.8
551.22510	13.9
552.23560	4.7
557.32990	4.3
565.34735	5.4
575.33942	8.2
579.22571	16.2
583.36127	5.0
593.34497	17.5
611.24725	15.4
611.35608	29.1
629.37225	7.8
635.25092	6.6
653.26001	10.9
667.38324	10.0
685.28027	8.3
685.39221	37.9
703.29608	8.1
703.40533	75.9
704.39905	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	703.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	4.3
53.03940	9.2
55.01877	16.7
55.05517	39.3
57.03430	14.9
57.07056	6.6
63.06369	3.2
65.03939	7.5
67.05508	100.0
69.03431	5.2
69.07060	32.2
69.23347	4.6
69.23752	28.5
71.01353	4.1
71.04999	4.9
73.50975	3.7
74.90004	3.6
79.05494	69.8
81.03403	10.0
81.06595	6.2
81.07059	99.8
83.01338	6.7
83.04992	7.3
83.08607	22.2
83.67903	3.2
85.02902	3.9
85.06540	4.6
90.46584	3.6
91.05482	73.5
93.07053	73.7
95.01308	23.7
95.04961	12.2
95.08611	59.1
97.06528	10.5
97.10168	4.7
98.21584	6.2
103.05485	7.1
105.07034	58.5
107.04945	9.1
107.08608	36.2
109.06565	4.3
109.10144	25.0
113.02343	6.4
115.05466	9.1
116.06233	4.7
117.07023	45.3
119.08582	49.0
121.06490	9.1
121.10152	31.5
123.04430	5.2
123.08043	7.9
123.11695	12.4
125.02364	3.7
125.09610	5.6
128.06184	10.3
129.07010	49.1
130.07715	3.7
131.04956	3.9
131.08580	67.7
133.06474	5.6
133.10149	30.1
135.08092	4.1
135.11697	21.2
137.09608	5.9
141.06999	24.1
142.07768	6.7
143.08574	48.5
144.09341	4.7
145.06493	7.8
145.10132	53.2
147.08009	5.5
147.11705	20.2
148.98747	3.1
149.02280	3.8
149.09630	5.1
149.13269	9.5
151.03905	7.9
153.07033	4.4
154.07727	5.3
155.08524	26.8
156.09244	4.1
157.06488	10.1
157.10118	43.7
159.08115	4.1
159.11722	36.6
161.13257	14.1
163.03893	4.8
165.07030	6.2
167.08542	10.8
169.10120	34.6
171.08105	3.6
171.11697	36.1
173.06039	5.6
173.09612	7.6
173.13290	25.3
175.11177	5.4
175.14848	4.8
177.12796	4.6
179.08586	6.3
181.06569	3.5
181.10159	19.4
183.11726	28.5
185.09604	5.2
185.13307	26.1
187.11195	5.0
187.14836	11.4
189.05412	8.2
193.10162	6.1
195.11751	16.9
197.09595	8.7
197.13232	20.0
199.07524	4.4
199.11188	4.2
199.14815	12.5
201.16319	5.1
205.10255	5.4
207.11664	10.5
209.13271	11.1
211.14842	11.2
213.16409	8.0
215.10721	3.6
215.14398	3.7
221.04451	9.0
221.13232	5.9
223.11269	7.1
223.14835	8.3
225.16380	8.9
235.14792	4.9
237.16281	6.5
239.17982	5.6
241.19530	5.1
249.16319	4.8
251.10471	4.7
251.18033	3.6
253.19511	4.4
259.13193	6.7
261.22211	6.6
267.17554	3.9
269.11768	4.8
269.19174	3.9
282.31171	3.9
289.14484	3.5
295.20654	4.1
309.22180	4.4
315.12271	10.9
327.23074	5.0
333.13358	39.5
333.24139	10.4
335.26010	8.4
353.16003	3.7
407.16910	4.3
417.31619	4.8
425.17987	13.4
427.19580	8.4
435.32751	29.8
437.34146	4.1
453.33646	7.5
485.25256	4.8
509.36053	12.3
513.41016	3.4
527.37378	95.2
528.38092	36.8
529.32239	5.1
529.39044	9.7
531.34271	4.3
557.32330	6.8
565.35034	4.4
575.33679	14.0
583.35767	5.4
585.37152	3.7
593.34534	28.3
611.35645	52.4
629.36792	10.5
631.35272	4.2
649.37756	5.4
667.38800	19.0
685.28754	5.5
685.39520	49.7
703.29828	8.0
703.40460	77.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07089	1.6
67.03503	0.7
67.05504	2.0
70.07753	1.6
70.08152	1.3
81.07082	1.7
89.06045	3.3
91.05443	1.1
93.07041	1.3
95.08614	1.5
95.42329	0.8
109.10184	1.0
121.10248	0.9
133.08650	1.4
133.10240	0.8
148.07489	1.1
166.08836	0.9
188.07220	1.0
232.59654	0.9
267.16156	0.7
275.15607	1.1
301.12064	1.2
316.14798	1.4
330.16135	2.0
354.16147	0.8
364.17874	1.1
365.18225	0.8
378.14905	1.0
379.15509	1.1
380.60214	0.9
393.17245	1.9
394.18494	1.1
395.18930	0.9
407.18777	1.8
408.19498	1.1
409.20422	2.5
421.16272	1.4
423.21970	2.8
433.20819	1.1
435.17789	1.0
439.22025	0.9
447.18680	1.0
449.19879	1.5
451.21277	1.2
465.23373	0.9
482.23334	1.1
494.23907	1.5
495.24469	1.6
505.22168	1.5
509.21933	2.4
511.27356	4.0
520.21484	1.3
525.28601	1.3
527.26581	0.9
536.24304	1.1
537.24957	5.9
541.24329	2.0
551.23297	2.7
553.27649	2.6
555.26056	1.2
567.24091	0.9
568.27777	1.2
569.27600	2.3
581.24988	0.9
583.25818	2.6
585.30890	6.1
597.27106	1.6
611.28821	2.1
612.29645	1.8
619.37738	0.9
627.31628	3.5
629.30121	1.1
639.28033	2.6
643.27826	2.9
671.30756	15.0
703.33423	100.0
704.33765	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	703.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.2
55.01869	3.1
55.05518	8.9
57.03426	4.2
57.07089	1.4
65.03943	1.5
67.05507	23.3
68.99775	1.3
69.07072	7.5
71.04975	2.0
73.78783	1.2
78.04738	1.5
79.05502	19.5
81.03407	4.2
81.07059	25.5
83.01342	1.5
83.08659	6.6
83.09081	1.3
88.79872	1.3
91.05479	17.8
93.07050	20.0
95.01319	7.0
95.04973	4.3
95.08616	15.3
97.02895	1.7
97.06525	2.9
97.10175	2.7
105.07029	17.0
107.04960	3.8
107.08589	9.0
109.02899	1.7
109.10155	5.9
115.05468	2.9
117.07047	9.1
119.08593	11.8
121.06521	3.6
121.10141	7.4
123.04400	3.2
123.08072	1.7
123.11703	1.8
125.02389	1.3
128.06232	1.4
129.06993	6.3
131.04932	2.1
131.08586	12.5
132.08109	1.5
133.06532	2.6
133.10121	9.5
135.04448	2.8
135.08046	1.7
135.11697	3.8
139.03868	1.5
141.06963	3.1
143.08569	6.0
144.08124	1.8
145.06517	2.3
145.10115	8.5
147.04404	1.5
147.08075	1.9
147.11653	4.3
149.09637	1.5
149.13249	2.6
151.03976	2.1
151.11147	1.4
155.08563	3.6
157.06506	1.7
157.10132	5.9
159.11707	7.4
161.05988	1.4
161.13246	2.7
163.03908	7.4
163.11160	1.7
167.08626	2.4
169.10136	4.2
171.11697	4.2
173.07152	2.2
173.09541	2.2
173.13268	4.2
175.11110	1.5
177.05528	1.6
177.12793	1.6
179.08458	1.9
180.10216	1.4
181.10168	2.4
183.11739	3.5
185.09554	1.8
185.13254	4.6
187.08678	2.6
187.11166	2.0
187.14851	1.6
189.12758	2.3
189.16463	1.4
197.13307	1.7
199.14751	1.8
201.06551	2.7
208.09555	1.8
208.11333	2.0
209.10768	4.3
210.11359	2.5
211.12326	3.8
211.14870	2.3
213.16527	1.8
215.10695	1.5
217.12195	1.3
219.11369	2.3
222.11371	1.6
223.12355	5.6
224.13071	4.8
225.08995	1.4
225.13869	4.0
226.14571	1.9
227.15582	2.3
227.17870	1.5
229.06088	2.8
235.12357	2.0
237.13835	10.2
238.14496	6.1
239.15529	8.6
251.11783	2.4
252.12650	1.6
253.13406	3.5
261.22189	4.1
265.13351	7.2
266.14203	3.5
267.14935	5.2
271.13171	1.8
279.12347	2.1
281.38617	1.5
289.14420	2.8
292.14352	1.6
297.13113	2.1
307.11887	1.8
309.15973	3.8
314.16620	2.3
316.17938	1.7
317.11346	1.6
325.15475	4.1
327.16772	1.7
333.13425	7.0
333.24323	2.0
335.25772	6.3
359.12259	1.8
368.16675	1.6
369.16653	1.4
374.18518	1.9
378.18173	2.4
384.19641	1.6
387.19424	1.5
388.20306	3.5
389.21014	1.6
393.17203	2.1
399.86465	1.4
404.23303	2.5
406.18051	2.4
425.18219	2.7
427.21027	4.0
430.21237	1.5
431.21719	1.9
435.32834	3.0
437.20004	1.4
439.17603	1.4
454.20358	1.9
455.20660	2.4
462.20291	1.7
470.23285	2.3
482.22525	1.8
485.25610	3.1
490.23236	4.0
491.23788	2.3
495.24261	1.6
496.22803	2.0
497.25528	3.0
498.23389	4.7
499.22916	1.8
509.22485	1.6
509.36212	2.0
513.24884	4.1
514.25470	4.6
523.23511	4.8
524.22253	1.7
527.22968	1.6
527.37592	9.7
528.37866	4.2
541.24506	7.7
542.25232	2.0
551.22552	5.3
569.24310	6.5
575.33600	1.7
583.25122	4.9
593.34467	3.6
601.26709	10.9
611.24756	20.6
611.35638	5.0
629.26172	20.0
629.36511	2.8
639.24023	1.9
643.27661	34.6
653.26495	1.6
661.28522	7.8
667.38281	2.4
671.27142	100.0
672.27148	3.8
685.39728	6.4
703.29169	25.7
703.40375	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	703.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05475	1.1
69.07078	1.1
69.18637	9.2
81.07082	1.2
89.06039	1.0
91.05486	1.3
95.08637	1.1
96.66760	0.9
98.21552	2.0
105.07024	1.2
133.24643	0.9
159.09189	1.4
164.10776	1.1
211.08939	0.9
221.10686	1.2
224.91461	1.2
237.13968	1.6
238.69945	1.0
247.12321	1.1
249.14069	1.1
251.15425	1.0
262.13364	1.6
267.28101	1.2
274.13589	1.1
275.15506	0.9
276.11639	1.2
276.15192	1.6
278.16635	1.0
289.16122	1.0
300.14511	1.0
314.16354	1.9
318.16476	1.5
326.16565	1.0
337.15369	2.0
341.18594	1.4
352.17548	1.7
353.17758	1.3
354.19913	1.8
362.16629	1.4
365.17987	3.0
366.19290	1.2
367.19287	2.5
377.17688	1.1
378.19318	1.0
379.19489	2.5
380.20337	1.7
381.16760	1.2
381.21014	3.4
393.16769	1.6
393.21246	2.1
394.18491	2.7
395.18622	4.1
405.17068	1.3
407.18286	1.2
407.22775	1.6
408.19473	4.2
409.20264	31.7
409.25293	1.9
410.20831	2.7
416.23529	1.4
421.20673	3.0
423.17892	1.0
423.22073	11.5
424.22693	12.6
425.23669	2.2
435.21747	3.1
436.22440	1.6
437.19257	1.7
439.17639	2.7
443.22131	6.1
444.22308	1.7
449.19370	1.4
451.21475	2.9
453.18417	6.0
454.20520	1.4
463.21106	4.4
468.21457	2.5
469.22031	1.5
479.20428	2.4
481.22510	4.3
482.23593	1.3
492.21420	1.0
493.19125	3.9
495.24167	7.4
496.24948	2.9
497.25815	5.9
503.24548	1.8
503.33896	1.2
503.41263	1.2
509.26126	1.5
510.26276	2.8
511.27298	27.7
512.27704	3.9
522.25281	1.0
523.23730	3.4
524.24567	1.2
537.25000	1.4
538.25580	1.4
539.23517	3.1
540.24292	1.9
541.24084	5.4
549.24921	1.2
551.23016	3.0
554.25885	1.3
555.26154	22.1
556.26752	8.8
557.27203	1.5
565.24774	1.7
567.22711	4.3
568.23737	1.7
581.27496	6.1
582.24683	3.0
583.25519	3.7
584.26526	1.5
593.24115	3.8
598.27917	18.8
599.28723	3.3
600.28900	3.5
601.26666	1.2
610.24664	1.2
611.25104	2.7
625.26501	8.8
626.27295	1.8
627.27887	1.5
642.26978	4.2
643.27795	7.3
644.28223	2.0
653.26208	17.5
671.27057	4.3
685.28729	79.0
686.28723	5.5
703.29742	100.0
704.30554	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	703.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.1
57.07077	1.4
67.05502	3.3
69.07024	1.6
69.72839	6.6
75.45641	1.1
78.59441	1.4
79.05515	2.7
81.07066	4.7
84.92546	1.1
91.05499	3.1
93.07065	2.9
95.08618	2.6
105.07037	2.9
107.05003	1.5
107.08591	2.2
109.10163	1.4
117.07051	2.2
119.08596	2.2
129.07040	2.3
131.08595	2.1
131.86450	1.2
133.10179	1.5
135.11664	1.3
143.08611	1.6
145.10112	1.9
148.13228	1.2
159.11685	1.7
173.13312	1.2
197.53799	1.1
237.14012	1.9
247.12347	1.7
249.13963	2.0
251.15569	1.4
252.81410	1.5
261.13907	1.3
288.15097	1.7
290.16962	1.6
300.15356	1.3
302.13251	1.8
302.16681	1.4
316.14511	1.4
318.16248	2.3
322.13565	1.2
323.14072	1.5
326.16599	1.7
361.53885	1.7
364.17850	1.4
365.17926	3.5
367.19748	1.8
375.16788	1.9
378.19336	1.8
379.19299	3.9
380.20154	3.9
381.21082	2.4
386.18240	1.3
391.19507	2.2
393.21191	2.8
394.17938	3.7
395.18790	5.4
406.17749	1.6
407.18341	2.9
407.22986	2.2
408.19501	3.5
409.20227	41.8
409.25296	2.2
410.20770	2.3
411.18146	1.5
419.18707	1.8
421.20468	3.5
422.21127	3.5
423.22067	20.5
424.22629	20.6
425.23624	1.7
429.20514	6.6
434.22104	1.8
435.21991	4.1
436.22864	2.0
437.23434	5.6
438.24286	1.9
447.22336	2.8
449.20267	3.2
451.21451	4.5
453.18723	8.6
454.19949	1.9
455.24402	2.1
463.21622	3.4
464.22360	1.6
465.22968	5.6
467.20837	3.7
468.21664	2.0
469.22256	2.8
475.21408	2.9
477.19543	1.9
479.25198	2.0
480.25385	1.4
481.22745	5.0
482.23053	2.5
483.23938	2.9
489.23001	2.1
491.20551	2.4
493.22617	4.4
495.23956	2.6
496.25037	2.2
497.25604	30.5
498.26068	1.7
507.24405	5.8
508.24252	3.9
509.21869	3.7
510.22888	1.4
511.23804	3.9
523.23419	2.7
524.23987	5.2
525.24878	2.2
526.22028	2.6
527.23297	2.4
527.37488	2.9
535.22546	1.5
537.21429	4.2
539.26489	3.4
540.24329	1.6
541.24542	33.1
542.25092	3.2
551.23291	1.6
552.23328	2.0
553.20801	9.6
554.21588	2.2
567.26221	7.3
568.23602	3.6
569.23914	5.3
579.22650	4.7
584.26282	28.0
585.27014	3.0
587.24713	1.5
596.22638	1.4
597.23267	2.6
600.29089	3.5
611.25000	12.9
612.25427	9.7
621.23944	1.6
625.27203	1.6
626.27502	2.1
628.25171	5.8
629.26062	7.8
639.24536	19.0
643.27570	5.1
644.27612	1.5
653.26459	9.0
671.27173	100.0
672.27698	3.1
685.28748	27.8
703.29779	99.7
703.39557	4.1
704.30023	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	703.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.7
55.01872	1.0
55.05508	1.5
65.03928	0.6
67.05511	3.9
69.03434	2.5
70.06592	5.4
71.04976	0.6
71.48538	0.7
72.08147	1.2
77.03949	0.5
79.05495	3.9
81.03410	2.2
81.07053	3.1
83.04992	0.9
84.08137	1.0
85.02898	2.2
85.06550	0.6
86.09734	2.2
91.05489	3.9
93.07036	1.5
94.04187	0.8
95.04968	3.1
95.08614	2.5
97.02909	1.1
97.06548	0.7
99.04454	1.1
102.04691	0.7
103.05472	57.1
105.07034	20.9
107.04935	1.1
107.08591	1.8
109.02881	2.9
109.06515	0.8
109.10166	7.2
111.04368	0.6
111.08109	1.1
115.05481	4.5
117.07028	0.5
119.04947	2.1
119.08559	1.8
120.08124	1.7
121.06499	0.6
121.10122	0.7
122.03626	0.9
123.08060	0.7
125.09660	2.3
127.03929	1.8
129.10258	0.8
131.04935	100.0
132.05304	1.0
133.02869	0.6
133.06493	14.4
133.10115	1.0
135.08069	2.0
135.11703	0.4
136.07594	0.6
137.05981	9.0
137.09619	13.9
143.06075	1.6
145.10141	0.8
147.04419	2.1
151.03925	0.6
151.07603	0.6
151.11174	0.5
155.10635	0.8
159.08087	1.1
159.11781	0.5
161.05989	36.4
163.07555	26.5
164.07918	0.5
165.05486	0.7
165.09128	13.0
175.07587	2.2
177.05421	0.8
179.07060	0.9
183.10155	1.3
185.13329	0.5
187.07527	2.8
189.09196	0.6
197.71843	0.5
199.39621	0.5
201.11221	1.3
205.12149	0.5
241.09369	0.5
251.10721	1.0
257.08347	0.6
263.10516	0.5
279.10211	0.9
291.10178	1.4
309.13440	1.3
311.12827	2.7
323.12814	0.7
327.14609	0.8
341.13934	0.9
702.50092	1.5
703.34918	1.7
703.49042	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.6
55.01863	5.1
55.05514	58.8
57.02139	3.0
57.03444	14.3
57.07063	5.2
61.02919	3.3
67.05187	3.7
67.05511	57.8
69.03416	5.1
69.07085	18.5
69.07401	4.3
71.48365	3.2
73.45537	2.5
79.05067	3.9
79.05494	44.6
81.07068	61.9
83.04966	6.6
83.08623	34.4
85.02900	4.6
89.06031	6.3
91.05482	24.3
93.07046	44.0
95.04944	3.5
95.08613	40.2
97.06525	4.0
97.10173	83.9
105.07041	14.9
107.08595	39.3
109.10151	18.3
117.07030	6.7
119.08577	11.4
121.10119	18.3
123.11734	4.5
125.09639	66.7
131.08565	7.5
133.10141	7.9
135.08044	6.4
135.11681	15.2
143.10670	4.4
145.10112	7.9
147.11713	4.9
149.13240	9.5
159.11678	4.4
161.13339	5.0
163.14812	3.0
171.10187	9.5
173.13304	6.3
187.14807	4.2
189.11227	45.6
227.12808	74.9
227.20055	18.4
243.21167	3.9
245.13864	100.0
261.22147	30.3
269.37402	3.1
279.23254	4.1
317.24786	7.2
335.25812	95.8
478.86639	2.8
487.34268	6.7
505.35260	61.6
582.01611	3.0
624.25391	3.4
626.26746	4.6
697.68060	2.9
702.28296	6.8
702.48138	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	701.3723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97194	0.3
67.05520	0.5
70.88475	0.8
75.55341	0.3
79.05482	0.3
79.52997	0.3
81.07050	0.3
91.05525	0.5
95.08591	0.3
99.97097	0.3
105.07036	0.4
123.79322	0.3
170.71507	0.3
185.04294	0.9
203.05347	2.5
259.08002	1.2
305.08765	0.5
321.22717	0.3
347.09543	1.0
365.10632	2.9
421.13080	1.4
539.23560	0.7
539.31958	18.5
701.37238	100.0
702.37579	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3721
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05514	0.4
69.84711	0.3
70.17648	1.2
79.05497	0.4
91.05410	0.3
95.08614	0.4
99.74390	0.3
127.77611	0.4
185.04321	1.0
208.00641	0.4
259.08191	0.4
347.09564	1.0
352.01779	0.3
429.12216	0.4
539.31982	17.0
540.32294	1.2
651.46375	0.4
701.37219	100.0
702.37701	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	701.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
71.13807	0.7
77.13236	0.3
81.07048	0.3
99.29971	0.4
141.55261	0.4
178.17606	0.4
211.12373	0.6
223.12312	0.5
224.13206	0.5
225.13866	0.6
233.10747	0.4
237.13914	0.9
238.14714	1.2
239.15529	0.9
249.10355	0.4
249.14001	0.6
251.15611	0.5
261.13922	0.7
275.15533	0.9
277.17108	0.4
281.12750	0.4
289.17175	0.6
290.16568	0.4
291.18875	0.4
304.14615	0.6
314.16678	0.4
365.17560	0.8
376.17831	0.4
379.19379	0.8
381.21103	0.5
391.19684	0.6
393.20837	1.1
405.16623	0.8
405.21323	0.7
407.18213	0.5
407.22736	0.7
409.20099	1.6
418.17377	0.4
419.18741	0.8
420.19330	0.9
421.20346	1.3
422.21347	0.9
423.16959	0.4
423.21997	6.1
425.23438	0.4
435.17148	0.7
435.22110	1.4
436.22537	1.2
437.23834	4.8
438.24506	1.8
440.22165	0.4
447.21973	1.1
448.18961	1.1
449.19012	0.6
449.24127	0.8
451.21609	0.8
453.23071	0.7
461.18890	0.7
462.20477	0.6
463.21460	1.7
464.21942	1.0
465.22861	1.5
468.25128	0.5
475.21344	1.4
476.22101	0.5
477.23788	0.7
480.21689	1.4
489.19150	0.5
490.19519	0.5
491.19803	2.3
492.21655	1.3
493.22699	1.7
497.24997	0.6
503.21109	0.5
505.22467	0.7
506.22568	0.5
507.24487	1.6
508.21603	0.6
509.26492	0.7
511.27380	0.6
519.23969	1.0
521.26105	0.6
522.25610	0.4
523.27472	5.2
524.28583	2.1
525.26093	1.0
533.24530	0.5
534.22784	0.8
535.23059	0.8
536.24109	0.4
537.25995	0.7
539.26080	1.1
540.26611	0.4
549.24585	1.1
550.25000	1.0
551.27081	3.3
553.25171	0.6
555.29999	0.7
561.25006	1.0
563.22809	0.7
567.26251	1.0
571.47070	0.7
572.47766	0.6
576.22980	0.4
577.24695	2.3
578.25281	1.5
579.26178	4.5
580.26007	0.6
581.26801	0.7
587.22565	0.7
589.24567	0.9
591.25970	0.8
593.27393	0.5
594.25482	0.6
595.25476	1.0
605.23950	1.3
609.27264	1.4
610.27527	1.7
611.28662	6.8
619.25629	0.8
627.27252	0.5
637.26617	2.4
651.28217	10.8
652.28406	0.7
654.26581	0.5
655.27966	3.1
669.29285	23.0
670.29926	3.9
683.30426	0.5
701.31854	100.0
702.32153	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	701.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80024	0.3
69.38566	0.3
85.56294	0.3
93.43508	0.3
95.08620	0.4
98.69700	0.3
108.44790	0.3
108.69752	0.4
109.32063	0.3
119.59697	0.3
132.08215	0.4
209.10913	0.4
221.92090	0.3
223.12387	0.4
224.13132	0.5
225.14034	0.6
226.14987	0.3
235.12321	0.5
237.13831	1.3
238.14749	1.0
239.15524	0.8
249.14012	0.5
251.15567	0.4
253.16904	0.4
260.13110	0.6
261.13998	0.4
263.15338	0.4
275.15475	0.6
284.69733	0.4
289.17007	0.7
353.18033	0.5
354.19653	0.5
377.17844	0.4
379.19449	0.8
381.21146	0.5
391.19299	0.9
392.20596	0.5
405.16794	0.7
407.18115	0.6
407.22842	0.7
408.19308	0.5
409.20255	1.6
410.21609	0.4
419.18713	0.8
420.19345	0.6
421.19904	1.7
422.21509	0.5
423.17062	0.4
423.22021	7.2
424.22479	0.5
432.19891	0.5
433.20770	0.6
435.22537	0.6
436.22656	1.1
437.23804	2.8
438.24686	1.8
447.22778	0.6
448.19107	0.5
449.19507	1.1
451.21564	1.2
453.22906	0.9
463.21573	1.7
464.22473	0.5
465.23367	1.1
469.26196	0.7
475.21463	1.5
477.19519	1.0
479.20898	1.1
480.21298	0.7
481.22559	0.5
491.21088	1.2
492.21933	1.7
493.21967	1.6
494.22729	0.5
495.24008	1.1
496.25058	0.5
497.25735	0.8
498.26489	0.5
503.20679	0.7
505.22510	0.6
506.23892	0.3
507.24466	1.6
508.24774	0.5
511.26929	1.3
512.27991	0.4
519.24225	1.0
521.24915	1.1
523.27844	2.8
524.27545	1.2
525.24628	1.0
529.27869	0.5
539.26984	1.6
540.27026	0.5
549.25073	0.9
550.25262	0.9
551.26776	3.0
552.24225	0.5
553.25189	1.4
554.28229	0.4
555.29755	0.5
561.24677	0.5
563.23218	0.5
567.25909	1.3
571.28986	0.9
577.24750	0.6
578.25311	0.5
579.26044	4.8
580.26685	0.5
581.26263	1.0
582.26300	0.6
591.26440	0.7
595.25623	1.2
599.28418	0.4
609.27081	1.1
610.27045	0.6
611.28693	7.5
612.28632	0.5
613.27539	0.4
627.28070	0.8
637.26801	1.3
655.27545	3.0
669.29260	18.3
670.29547	1.6
701.31830	100.0
702.21075	0.6
702.32086	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	701.318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	1.3
56.30704	0.8
57.07067	1.2
67.05509	1.3
69.07065	1.0
70.79516	1.7
70.79857	0.8
79.05492	1.3
81.07069	2.2
83.08611	1.4
85.90225	0.8
91.05480	0.8
93.07047	1.2
95.08604	1.8
107.08574	0.8
119.08637	0.7
135.20357	0.6
323.09781	0.7
367.18887	0.8
381.20984	1.9
406.18198	0.9
409.20389	1.1
421.20251	1.6
422.21353	0.9
423.22357	4.2
435.22000	2.9
437.23715	2.1
447.21823	1.0
451.21466	2.1
453.22885	1.1
463.21338	1.0
464.22412	0.9
465.18588	1.0
465.23419	1.2
475.21411	1.4
477.19177	1.3
479.25339	0.9
480.22083	1.0
491.20566	1.7
492.21698	1.6
493.22183	1.9
507.24152	1.7
508.24924	3.3
511.27011	1.4
521.25360	1.0
522.26672	1.2
523.26129	1.3
524.24689	1.3
525.25073	6.0
535.23035	1.9
539.26416	3.1
540.27179	2.6
551.26428	2.4
552.23761	2.4
553.24438	0.9
567.25732	4.5
579.25946	3.1
581.25793	0.9
589.48267	1.9
595.25818	3.5
609.27161	1.7
610.27356	1.1
611.28479	3.3
627.28064	6.2
628.28748	0.9
637.25867	1.6
669.29236	30.3
670.29706	3.2
701.31812	100.0
701.49622	3.4
702.32507	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	701.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.7
57.03418	1.5
59.05003	1.3
61.06624	0.9
67.07950	1.2
70.06252	1.0
70.06585	7.1
71.47978	1.5
72.08152	1.9
79.05502	2.6
79.80053	1.2
84.04479	1.1
86.09704	4.1
87.00903	1.0
91.05482	3.2
92.70637	1.2
93.07047	2.1
94.06597	2.0
95.04982	2.7
96.04487	1.3
99.04498	1.6
103.05463	1.1
104.94978	1.2
108.08135	22.1
109.06529	2.0
110.06019	2.0
110.09689	1.4
112.07610	1.1
113.04739	1.3
114.05503	3.4
117.07013	1.4
118.06538	1.4
119.08620	1.7
120.08158	5.8
122.06046	2.0
124.07626	2.0
129.10225	1.9
132.08128	1.7
134.06046	6.9
134.09636	3.0
136.07587	43.0
137.06006	2.8
138.05498	1.8
138.09140	7.9
140.07108	2.8
144.08092	2.0
147.04366	1.3
148.07579	5.2
150.09140	1.9
152.07146	1.6
152.10625	1.2
154.08640	17.5
159.09219	1.4
160.07545	4.3
162.05518	3.8
162.09148	9.4
164.07080	13.0
166.08640	12.5
168.06577	1.9
170.08174	1.6
171.04413	7.3
172.07564	2.2
173.05875	1.2
174.09181	2.1
175.08788	1.6
176.07062	5.3
178.08643	6.5
179.08223	1.4
180.10202	8.6
188.07083	3.2
189.10223	1.5
190.08653	13.1
191.08107	1.9
192.06433	1.3
192.10237	5.8
193.06007	1.3
193.09766	3.1
200.07146	1.5
205.09741	3.3
206.08153	7.8
207.08946	4.4
207.11250	3.8
208.09689	12.3
210.11238	5.1
215.08293	1.5
216.06595	1.5
217.09734	2.1
218.08205	7.5
220.09586	2.9
221.09184	8.1
222.11275	1.9
225.10014	5.7
233.09155	3.5
235.10751	2.0
236.09227	3.6
238.10736	3.5
240.12320	42.5
245.09328	2.9
251.10248	1.5
257.12854	3.4
259.10880	2.2
261.08752	2.2
263.10236	3.1
271.10965	1.3
279.09769	17.7
280.10397	1.4
281.11340	100.0
283.14468	2.4
287.10245	2.9
291.09848	2.1
301.12109	1.6
301.15488	3.1
303.13205	2.0
305.11273	7.2
315.05008	2.1
315.09735	2.7
316.05298	2.0
317.11398	1.3
319.16492	2.0
325.15543	3.3
331.12894	8.5
333.10855	9.1
343.16711	1.7
349.13773	1.6
353.14917	3.4
355.16556	3.1
363.15540	2.5
365.13312	2.9
371.15982	8.0
373.17630	1.7
385.17654	3.5
403.18622	4.6
405.20093	2.3
464.18283	2.2
468.17609	6.7
469.18228	2.3
470.19385	10.6
486.18552	1.5
488.20490	2.2
528.85590	1.5
615.24438	6.8
633.25525	24.7
651.26300	6.4
665.27368	1.3
683.28680	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	700.4633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.8
55.05516	15.6
55.05770	2.2
57.03437	10.7
57.07078	3.5
61.02918	3.5
65.03928	3.5
67.05508	68.6
69.07073	9.6
70.13389	1.2
71.04992	5.5
71.48743	2.5
79.05504	22.7
81.07060	100.0
83.04965	2.3
83.08610	6.2
85.02912	4.1
85.06557	11.0
91.05489	16.8
93.07050	24.1
95.04972	1.4
95.08611	27.1
97.02885	2.2
97.06577	1.5
97.10173	3.9
105.07047	10.0
107.08604	13.6
109.10168	15.9
117.07078	1.3
119.08578	6.7
121.10145	9.8
123.08091	1.4
123.11713	15.5
125.09628	1.5
127.03941	1.5
131.08607	6.0
133.10121	12.2
135.11685	7.3
139.11206	1.6
145.10132	3.5
147.11673	3.4
149.13277	4.8
151.11162	4.7
159.11681	3.2
161.13350	2.3
169.12210	2.0
173.13264	2.1
187.11583	1.6
187.13287	11.2
187.14825	2.0
202.19394	1.4
241.14284	2.5
243.15944	77.3
243.21147	4.0
246.28462	1.3
261.22150	13.4
310.12561	1.3
317.24747	3.7
327.10104	1.3
335.25806	70.4
336.26151	2.1
414.35086	1.3
429.33246	1.3
503.37332	58.8
504.37418	1.8
521.38086	2.8
577.97491	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	4.2
55.72694	2.3
67.05514	3.4
68.88651	2.8
71.48508	4.8
81.07057	5.0
87.30846	3.1
89.97164	2.7
107.59439	2.7
120.08076	3.1
134.29396	2.8
154.64243	2.5
211.12376	3.1
251.11595	2.9
263.11859	4.3
289.13995	2.5
295.14587	3.1
320.13995	3.2
351.16879	3.9
367.19116	3.8
380.16870	3.0
396.19193	4.1
397.20154	6.2
421.75705	2.9
424.19193	3.0
425.19720	7.9
434.17502	4.3
439.21506	3.3
461.19995	4.6
462.16846	6.5
479.21555	3.4
480.21619	5.4
482.23276	8.2
483.23938	7.8
494.19684	8.5
511.23294	9.6
512.24152	17.6
521.21930	5.7
549.21375	4.0
553.24426	5.2
554.25952	5.4
564.20642	3.3
567.22437	6.7
577.21130	5.0
581.23822	14.7
598.24237	3.9
599.24902	8.0
608.22571	11.2
609.23291	6.5
613.26855	4.0
623.24969	8.1
626.23669	20.0
627.24683	18.5
641.26208	23.0
651.24536	12.5
669.25659	57.3
670.26160	4.0
701.15747	5.6
701.28094	100.0
701.48718	5.4
702.28491	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	699.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
68.04332	0.4
68.04701	0.4
71.13612	0.7
71.13967	0.4
105.25418	0.4
105.77428	0.3
145.66371	0.4
185.04291	0.4
218.83768	0.3
224.12186	0.4
347.09708	1.4
366.57428	0.4
375.25027	0.5
452.56448	0.4
537.30420	17.4
538.30511	0.7
686.23853	0.4
699.35651	100.0
700.36047	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	700.4481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
55.05516	6.3
57.03442	4.0
57.07083	36.4
58.43916	0.5
61.02932	13.6
64.00995	0.5
67.05511	9.7
69.03416	1.9
69.07078	7.9
71.05004	0.7
71.08637	31.3
73.02911	4.8
75.04472	2.2
79.05493	1.0
81.03432	1.0
81.07063	16.1
81.63694	0.5
83.08620	10.0
85.02908	16.4
85.06553	0.7
85.10187	17.0
89.06054	0.6
91.03415	1.2
91.03958	13.8
95.08617	23.6
97.02900	8.0
97.10168	11.4
98.20811	1.6
99.04471	0.8
99.08059	0.7
99.11755	1.1
103.07579	0.6
109.10167	11.2
111.11739	3.7
112.25166	0.6
115.03932	0.7
123.11738	5.0
125.13284	1.2
127.03927	5.2
137.13263	2.4
145.04976	8.0
151.14821	0.9
163.06029	12.2
249.25790	1.2
267.26859	21.9
285.27942	3.7
341.30527	100.0
342.30746	3.1
359.31592	26.1
503.35818	0.8
542.20142	0.6
571.47113	0.9
601.23975	0.6
700.44354	2.0
703.67322	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.5204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	10.5
57.07070	5.2
59.04982	2.5
63.02252	2.0
65.03935	3.0
67.05512	100.0
69.07087	11.3
71.04995	4.8
71.40700	3.7
73.59559	2.0
79.05490	11.7
81.06599	3.7
81.07063	57.3
83.08620	7.7
85.06548	7.3
91.05461	11.1
93.07041	9.6
95.08615	50.6
98.21132	2.6
105.07042	6.9
107.08606	6.2
107.16785	2.0
109.10168	56.3
111.08089	4.0
113.09682	2.0
119.08587	8.6
121.10151	5.9
123.11716	5.3
133.10175	2.6
135.11711	3.1
137.13271	3.2
147.11649	8.6
155.10625	2.4
155.91823	2.1
169.10199	2.0
173.11729	6.8
189.52051	2.5
229.14301	5.5
235.20447	5.0
348.34033	2.5
383.24298	18.3
411.27457	69.5
417.17007	2.8
463.34097	24.0
477.22479	3.0
491.37411	63.4
492.37210	4.2
522.26617	2.7
530.18823	3.0
549.24323	2.5
565.24817	2.4
581.26813	2.7
609.26886	6.3
613.69586	2.6
640.29407	3.3
649.25647	2.7
667.27332	3.1
671.16412	2.6
699.30383	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14780	1.7
69.18018	14.0
69.18431	3.7
94.74625	1.8
97.51747	1.6
98.20670	3.1
114.43736	1.5
127.46103	1.8
130.54070	2.1
132.06201	1.5
193.12946	1.9
209.10886	2.4
225.14105	2.0
306.07803	1.8
338.12845	2.0
458.17099	2.7
471.21875	2.1
472.19028	2.6
473.20013	3.9
487.21405	3.5
499.21228	5.9
501.19070	6.8
505.22681	2.3
515.20947	8.6
516.21692	9.1
517.22552	2.9
527.20471	3.0
529.05988	1.8
547.23303	2.6
575.22919	10.3
586.22345	3.2
607.25476	4.4
617.23865	5.5
618.24237	2.3
635.25079	100.0
636.24890	5.9
649.26746	24.9
667.27618	17.4
699.30548	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	698.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.7
55.05517	29.6
57.03444	9.2
57.07083	15.4
61.02931	30.6
67.05511	42.7
69.03432	2.9
69.07075	51.4
69.78810	8.0
71.04978	4.0
71.08646	12.0
73.02922	13.8
75.04482	2.2
79.05491	17.9
81.03424	3.2
81.07065	46.2
83.05041	2.8
83.08150	2.8
83.08626	40.8
85.02909	32.3
85.06535	2.6
85.10184	8.5
89.27396	1.9
91.03969	27.0
91.05492	2.3
93.07053	21.2
95.08612	47.3
97.02901	14.9
97.06533	6.0
97.10174	26.5
98.20752	1.7
99.04478	2.1
99.08125	2.6
107.08592	15.0
109.10165	25.0
111.08083	4.8
111.11733	8.2
113.09710	1.7
121.10151	35.7
123.11735	9.0
125.09647	2.2
125.13309	2.2
127.03914	8.9
135.11694	31.2
137.13234	5.4
145.04973	15.6
149.13272	12.8
151.14827	3.6
163.06030	22.3
163.14833	6.0
165.16425	3.8
177.16405	2.9
191.18019	3.2
198.39371	1.6
247.24225	39.1
247.61104	1.7
265.22363	2.7
265.25290	95.6
283.26385	18.8
339.28970	100.0
340.29202	2.7
357.30026	57.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89509	0.5
52.75927	0.6
55.05511	0.7
55.19201	0.5
57.03435	1.6
58.06753	0.6
61.02932	4.0
67.05508	1.7
67.81879	0.6
69.03432	2.6
69.07079	1.8
69.53619	0.6
71.05002	0.7
71.23751	0.6
71.24094	0.9
73.02908	2.6
79.05504	1.2
81.03423	1.5
81.07070	5.6
83.04975	0.6
85.02911	3.8
85.06560	0.7
91.03970	2.2
91.05475	2.3
93.07043	1.0
95.08627	1.3
97.02894	3.0
99.04467	0.8
101.02407	1.0
105.07053	3.6
107.08628	1.2
109.02865	1.0
115.04008	0.6
119.08617	2.2
121.10172	1.9
123.08181	0.6
123.11735	2.3
127.03946	0.8
129.97421	0.5
133.10074	0.5
141.91441	0.6
147.11700	7.9
151.66969	0.6
163.42914	0.5
165.12794	1.7
203.05139	0.7
243.08331	0.9
243.14294	0.7
251.12590	1.9
269.12457	2.3
269.31995	0.6
282.90326	0.6
287.13519	1.4
307.15237	1.1
325.14990	1.1
469.20309	15.2
487.21216	1.0
535.28430	1.6
566.02460	0.6
588.87769	0.5
631.50934	0.6
653.35791	0.6
697.34039	100.0
698.34332	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	697.341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.2
55.05513	2.4
57.03431	3.7
61.02942	8.1
64.00806	1.1
67.05507	12.0
67.99467	1.2
69.03426	3.5
69.07077	1.6
69.87794	5.8
73.02922	5.2
79.05510	2.5
81.03418	3.9
81.07056	4.3
83.08607	1.5
85.02909	7.6
90.00484	1.5
91.03973	5.0
91.05485	1.7
93.07066	3.0
95.08634	2.1
96.97652	1.2
97.02911	5.8
99.04483	1.9
101.02407	3.2
101.85314	1.3
107.08609	1.2
109.10180	9.0
119.08614	2.5
127.03939	1.5
135.11774	1.6
138.03989	1.1
147.11682	1.6
153.59726	1.2
173.11746	2.9
185.04211	1.6
195.10069	1.4
201.03662	1.6
215.63788	1.2
221.11523	1.5
229.14418	1.6
235.13176	1.9
243.08574	3.7
251.12775	1.4
301.09036	4.6
315.10834	3.8
357.15533	1.4
369.15448	1.6
371.17068	4.1
373.11182	2.1
385.18445	3.5
389.26950	2.1
413.17838	22.8
425.21588	5.2
429.17484	2.1
453.21252	5.2
463.26910	2.1
469.20258	1.4
484.22958	2.7
485.20044	6.7
497.23947	1.8
499.21829	2.1
541.25909	5.7
553.29364	2.5
567.31512	22.2
568.32330	3.0
596.31470	6.0
625.32013	100.0
626.32281	4.3
628.30750	5.0
651.33887	8.6
697.34076	43.1
700.94330	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.4
53.81646	1.9
55.01854	2.0
55.05508	19.1
57.03443	8.0
57.07082	11.3
61.02932	30.1
65.03927	2.4
65.40250	1.6
67.05510	71.9
69.03426	3.9
69.07072	27.2
69.78720	9.3
71.08615	7.4
73.02925	7.8
76.70222	1.4
79.05503	21.3
81.03410	2.0
81.07061	93.3
83.04986	2.8
83.08629	25.0
85.02917	32.6
85.06548	3.6
85.10183	3.0
91.03963	26.7
91.04992	1.5
91.05495	14.0
93.07047	25.2
95.08613	80.5
97.02898	13.4
97.06529	7.2
97.10168	13.3
98.20792	2.5
99.04402	2.4
99.08082	5.2
105.07043	12.3
107.08595	18.3
109.10166	39.5
111.08051	5.0
111.11719	6.0
113.09623	2.7
119.08595	14.3
121.10155	20.9
121.16489	1.8
123.11724	23.5
125.09641	2.2
125.13197	2.1
127.03922	8.3
129.48561	1.8
133.10132	17.1
135.11714	13.7
137.13274	9.8
139.11168	1.7
141.12753	2.4
145.04977	14.0
147.05031	1.6
147.11693	11.0
149.13263	11.6
151.11198	1.7
151.14847	7.9
155.14366	4.0
161.13281	14.8
163.06039	18.8
163.14845	13.8
165.16403	8.9
167.14407	2.0
175.14862	11.9
179.17984	8.5
181.15927	2.2
183.00816	1.6
183.89653	1.5
189.16347	4.8
197.15359	1.6
203.18080	1.7
210.18600	2.0
216.26636	1.5
240.00740	1.5
245.22659	68.5
255.90918	1.8
263.23721	100.0
265.25162	1.8
281.24640	2.1
337.27371	76.0
355.28442	10.6
499.32730	6.2
662.43280	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	16.0
57.03434	6.3
57.07079	10.7
61.02932	26.4
65.03934	1.9
67.05508	68.1
69.03436	1.6
69.07069	24.8
71.04994	3.1
71.08633	6.5
71.29126	2.3
73.02920	9.3
76.48943	1.2
79.05494	21.4
81.07061	86.9
83.08628	15.5
85.02909	31.1
85.03315	0.8
85.06544	3.0
85.10180	3.3
91.03963	25.6
91.05478	13.9
93.07048	22.1
95.04980	1.6
95.08610	72.8
97.02895	17.1
97.06548	6.2
97.07086	1.1
97.10171	11.0
99.04433	2.8
99.08088	3.9
105.07040	9.9
107.08600	15.0
109.02894	1.4
109.06448	1.2
109.10165	39.6
111.08060	3.5
111.11720	4.2
113.09671	2.6
115.03917	2.8
119.08600	11.0
121.10153	21.1
123.11724	15.8
125.09599	1.7
127.03922	9.4
127.11221	2.2
133.10130	15.7
135.11690	11.1
136.07570	1.7
137.09641	1.7
137.13269	4.9
139.11188	1.6
141.12775	3.6
145.04974	12.7
147.11725	10.1
149.13275	11.3
151.14844	6.2
155.14374	3.8
161.13266	10.9
163.06024	23.5
163.14867	11.7
165.16399	9.7
175.14816	10.6
177.16365	2.9
179.14203	1.5
179.17970	5.7
180.76064	1.4
181.15866	1.5
189.16417	4.9
193.62050	1.3
207.17374	1.6
217.19519	1.6
245.22665	71.1
247.24414	1.9
248.15591	1.4
263.23715	100.0
264.24033	2.5
265.25363	2.5
281.24887	1.8
327.92679	1.2
337.27390	43.3
338.27972	1.6
355.28375	8.0
360.20770	1.5
477.91306	1.4
573.06366	1.3
711.81927	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.292
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	2.3
67.05497	3.7
69.07052	2.2
70.06582	4.4
71.04988	2.8
72.08149	2.9
79.05489	2.3
80.05007	1.9
81.07040	3.4
84.08167	3.6
85.02905	4.4
85.20624	1.6
86.09689	3.3
93.05765	4.4
94.06557	1.8
95.04955	2.8
98.09708	3.2
100.11250	4.7
108.04509	1.8
108.08121	66.1
109.08374	1.5
110.09672	1.7
120.08146	2.7
121.05125	1.6
122.06055	3.7
124.07584	3.7
134.09697	1.9
136.07582	100.0
138.05528	4.3
138.09129	3.0
140.07057	6.9
146.05994	3.4
148.07553	1.6
150.05507	2.0
150.66042	1.9
152.07077	3.2
155.28427	1.7
164.07091	17.0
166.08578	2.4
168.06523	3.5
174.05551	3.2
182.15506	1.8
190.08641	5.2
199.08632	2.1
204.06528	3.3
206.08322	2.1
210.14909	3.3
211.08682	4.2
212.09445	3.2
213.10107	3.4
218.08093	4.8
225.10190	7.9
227.08151	6.9
227.11746	1.7
239.08109	2.8
239.11679	10.4
240.08826	2.3
241.09743	6.0
242.10538	2.6
245.12958	1.9
251.11729	2.1
252.08862	1.9
253.09741	8.5
254.10405	2.9
255.11273	5.7
257.12888	3.3
267.11301	17.5
268.12054	2.1
269.12805	2.9
281.09219	5.3
283.10770	3.9
285.12302	6.2
295.10745	9.6
297.12256	15.0
299.10257	5.0
300.11063	3.7
301.06989	7.0
311.10260	3.9
313.07739	3.3
313.11804	51.8
313.15472	3.0
314.12491	3.3
315.13382	2.4
323.10165	6.6
325.11890	2.2
328.10565	3.6
329.11044	2.0
341.07053	2.4
341.11307	47.6
342.11835	2.8
355.12607	3.6
356.13632	2.6
359.12497	2.4
360.13141	3.6
373.13940	56.8
374.14560	2.4
380.16006	3.2
416.16391	2.4
434.17047	3.7
452.18143	6.6
462.16586	3.4
464.18164	3.8
476.17999	5.4
480.17804	14.6
481.18146	5.0
482.19278	20.1
494.19299	3.7
495.19641	4.7
512.20105	3.8
513.20959	2.1
514.21466	6.5
599.24542	4.1
601.26544	11.5
603.24512	3.4
617.26093	27.6
627.24524	13.2
628.23450	2.5
645.15704	3.2
645.25604	52.0
649.28583	2.5
659.27069	13.5
677.28094	34.8
677.49030	5.2
695.50409	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	695.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.1
55.01863	0.2
55.05503	0.1
57.03439	0.6
67.05478	0.1
67.19511	0.1
68.99803	0.2
69.03410	0.5
70.06572	0.3
70.62377	0.3
71.04994	2.2
73.02884	0.1
74.00687	0.1
79.05498	0.2
81.03403	0.5
83.04964	0.4
85.02907	3.5
86.09644	0.1
87.00826	0.3
91.05422	0.1
93.07045	0.1
95.08557	0.1
97.02865	0.3
99.04461	0.2
100.07906	0.1
103.03916	0.1
105.01859	0.2
109.02878	0.6
111.04479	0.5
120.08125	0.1
124.94811	0.1
125.05918	0.1
127.03942	0.9
129.05490	0.7
145.04944	0.3
147.06519	0.2
149.06000	0.2
151.03868	0.2
153.01826	0.6
159.02853	0.2
167.07036	0.1
173.35738	0.1
174.79842	0.1
175.03923	0.2
189.03900	0.3
208.18277	0.1
211.79204	0.1
214.81119	0.1
229.05017	0.3
231.04893	0.2
237.07750	0.2
257.04611	0.2
258.05243	13.4
259.05643	0.4
286.04718	32.6
287.05093	0.7
301.07059	100.0
302.04269	0.2
302.07434	2.3
343.08218	0.2
411.10373	0.1
463.12555	0.2
505.13480	0.2
549.12518	0.9
553.09064	0.1
609.18079	0.4
695.17938	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.9
57.03432	3.4
61.02900	1.0
68.99802	1.2
69.03425	1.0
70.06589	2.9
71.04995	22.0
71.49360	0.6
72.08160	0.8
73.02919	0.8
80.10207	0.6
81.03410	1.1
83.04975	1.1
84.08160	1.1
85.02906	28.8
86.09715	1.4
86.35245	0.5
87.00809	1.4
87.04441	0.6
87.43166	0.6
90.69904	0.6
91.05460	1.0
97.02857	0.8
103.03906	1.0
105.03405	0.9
109.02859	2.0
120.08105	1.3
121.02827	1.2
125.09615	0.7
129.01973	0.7
129.05469	2.4
129.10173	0.8
137.02351	1.0
143.58456	0.6
145.35002	0.7
149.02380	1.3
149.05969	2.1
151.03871	3.3
159.04465	0.7
163.03934	0.9
165.01837	4.1
167.03416	1.9
167.07071	0.6
175.03902	1.6
177.01848	0.9
177.66980	0.6
183.02879	1.3
187.03822	0.9
191.03412	1.1
195.02901	1.7
201.77226	0.6
215.03378	0.9
217.04886	1.1
227.12030	0.7
233.04411	0.9
243.02734	0.8
257.04382	0.8
259.06021	0.8
261.03882	0.7
268.07108	0.6
270.05222	1.1
271.06088	2.0
282.05179	5.4
285.07620	1.3
286.04721	1.1
291.13226	1.1
292.07281	1.2
293.04803	0.6
295.06067	0.8
296.06839	6.8
297.07504	3.7
298.04721	8.4
299.05444	1.5
300.06262	8.0
301.07053	3.5
309.07639	1.4
310.04694	5.4
310.08374	4.7
311.09155	5.1
312.06088	1.5
313.07050	45.2
314.07748	7.4
320.06787	2.5
322.04733	0.9
324.06244	11.2
325.07150	11.7
325.10739	2.2
327.05066	1.1
327.08688	1.6
328.05768	18.6
335.08942	3.0
337.07016	2.1
338.07800	9.3
339.04938	1.4
339.08603	18.1
341.06494	1.1
343.08127	100.0
344.08426	2.4
348.06226	3.1
349.06592	1.1
352.05844	0.9
353.10202	24.5
354.10309	1.1
355.08081	0.8
363.08597	8.6
365.06461	0.8
366.07251	1.9
367.08127	40.3
368.08417	1.3
376.05841	1.4
379.07938	0.8
381.09793	4.6
387.10687	0.8
391.08173	8.1
394.06760	2.5
397.09012	1.3
409.09198	39.5
410.09579	1.4
414.74365	0.7
427.10123	3.1
445.11218	4.5
451.10547	0.7
469.11392	2.8
487.12537	1.1
495.09161	1.4
513.10315	44.1
514.10577	2.3
531.11334	37.0
532.11932	1.7
549.12396	29.9
549.20941	1.4
550.13031	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64085	1.0
54.21206	0.9
56.96544	0.9
69.03436	1.4
71.47261	1.1
71.47642	1.6
81.03396	1.2
82.99849	1.1
85.02890	4.2
86.99371	0.8
89.03882	1.5
97.02886	4.2
98.97565	2.9
99.04492	0.9
100.00103	3.4
101.00864	6.5
109.02871	1.8
110.97625	1.3
113.00867	3.5
117.03370	1.5
118.01160	4.6
119.01933	7.5
119.04890	1.3
119.06786	0.8
122.03631	1.5
127.02388	2.6
127.03896	2.0
128.98584	1.2
131.01918	7.3
132.02654	1.2
133.03467	1.4
133.06464	0.9
134.95840	1.1
135.04378	3.4
137.05988	28.4
138.01622	1.1
139.02391	1.2
142.01091	6.3
143.01913	13.5
145.01558	1.3
145.03636	4.5
147.03287	1.1
147.04370	6.4
151.03925	0.9
151.63438	0.8
154.01134	2.0
155.01868	10.6
156.02681	5.4
157.03496	4.2
158.99638	1.4
160.02217	4.4
161.02974	10.7
163.02556	1.5
163.03896	20.5
164.04279	1.6
166.01083	1.4
167.01926	2.1
168.02684	3.5
169.03543	1.2
172.02165	1.7
173.02972	11.6
174.03740	1.2
177.03940	4.3
178.01111	4.7
179.01865	3.0
181.03503	6.4
184.02193	2.2
185.02980	6.7
186.01730	0.9
186.03722	3.8
189.00662	0.9
193.03534	1.2
194.04272	2.6
195.05040	19.7
196.02205	9.0
197.03026	5.2
201.00752	1.1
203.02275	1.6
203.04047	7.7
204.02686	1.7
205.03459	5.0
207.04993	2.1
208.02238	1.8
210.03668	1.7
213.06152	1.6
215.03970	1.9
216.02632	1.0
217.03526	2.3
218.04199	6.2
219.01781	1.6
219.05034	30.0
221.02937	7.2
221.05060	10.6
221.06792	1.2
222.03696	7.5
223.04515	6.6
226.03212	2.4
229.03499	1.7
230.04230	1.3
231.05104	8.1
232.05869	1.2
233.02992	1.0
233.06581	2.6
234.03798	2.0
235.04494	3.1
236.05293	5.2
237.06084	23.3
239.03952	1.2
240.04771	3.0
241.03439	1.9
244.04297	95.9
245.04839	7.6
246.03709	9.9
247.04575	9.2
248.05223	2.0
249.06049	7.0
251.07753	1.4
252.04700	1.3
255.01833	2.0
255.07230	1.6
257.05005	1.3
258.03665	1.7
259.04562	7.8
260.05185	3.1
261.06100	19.4
262.05261	7.6
263.03952	3.4
263.07748	1.6
264.04797	19.0
265.05475	3.2
266.04434	1.0
271.04623	1.0
272.05310	1.0
273.02985	1.3
273.05917	2.3
273.08517	1.6
275.03925	2.4
276.04669	3.3
277.00009	0.9
277.05545	3.1
278.06433	1.5
279.00153	1.5
279.07150	22.0
279.67383	1.0
281.04880	4.2
285.06659	0.9
288.04749	2.6
289.05521	1.2
290.06403	1.0
291.07123	6.8
293.05035	2.8
293.08447	1.4
295.23022	0.8
297.08191	2.8
300.04724	4.1
303.07169	2.1
305.05035	1.5
307.06665	17.9
309.08316	5.2
311.06351	1.9
315.07050	1.6
317.05014	1.4
320.07431	3.9
321.04498	1.0
321.08206	18.1
323.06125	2.3
323.09741	1.3
331.06567	2.4
333.08035	1.7
335.06052	2.0
336.06995	7.7
337.06940	1.6
339.09128	3.0
345.69012	0.9
348.06915	64.9
349.07327	5.3
350.06769	1.4
351.09299	3.1
353.07196	5.0
363.09232	21.7
364.09583	1.3
365.07120	3.1
366.07990	9.1
369.10184	2.1
371.08142	2.8
381.10318	59.6
382.10324	2.0
383.09821	1.4
389.09198	2.3
399.11380	100.0
400.11588	4.1
401.11365	2.4
413.09143	4.6
417.12570	7.7
422.12827	1.5
444.06268	1.4
453.12878	1.6
469.11792	3.2
471.13153	4.9
473.11298	1.1
515.12201	3.3
561.14673	12.6
579.15588	52.4
580.15796	1.9
677.15118	1.7
695.16559	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	694.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.3
55.05512	9.8
57.03431	3.4
57.07072	2.9
61.02932	36.4
61.40934	1.9
61.69883	2.5
67.05508	58.6
69.03433	4.7
69.07069	8.9
69.77827	2.7
70.67059	5.3
71.04995	2.7
73.02917	13.7
79.05495	37.1
81.03414	3.1
81.07063	62.9
83.08622	6.4
85.02431	4.6
85.02908	48.5
85.06549	3.4
90.14030	2.1
91.03969	29.0
91.04993	2.2
91.05479	15.5
93.07050	52.1
95.04978	2.1
95.08614	50.0
97.02905	21.9
97.06548	3.0
99.08085	3.4
103.03993	2.2
105.07032	19.7
107.08591	33.8
109.10159	31.1
117.07038	9.9
119.08586	14.9
121.10164	29.3
123.11726	14.0
127.03926	13.7
131.08582	23.6
133.10133	11.3
135.11700	24.7
135.41554	2.1
137.13261	6.5
139.27219	2.0
145.04984	20.4
145.10135	13.6
147.11699	13.2
149.13274	20.6
159.11658	11.2
161.13264	9.9
163.06032	29.4
163.14815	15.1
165.12830	3.1
167.43318	2.2
173.13235	13.0
175.14854	5.0
177.16408	6.3
187.14847	5.4
243.21143	33.0
261.22162	100.0
279.23273	4.0
335.25806	17.9
353.26865	57.8
400.32129	2.5
405.26062	3.3
497.31540	3.0
638.70508	2.7
694.34900	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	693.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30378	1.0
55.01864	1.8
65.03941	2.6
67.05518	6.2
67.61305	1.1
69.03429	1.4
69.07043	1.1
70.06595	10.2
71.04997	1.5
71.48730	1.5
72.08144	2.5
78.98546	0.9
79.05489	2.1
80.05014	1.3
81.07058	2.0
82.06587	1.2
84.04498	2.9
84.08140	2.1
86.09695	3.9
88.03960	1.1
91.05480	3.4
93.05779	4.0
93.07039	3.3
94.06563	1.7
95.04977	2.2
96.04487	1.0
96.08105	1.7
97.06557	0.9
98.06078	0.9
101.07146	1.9
105.07037	1.1
106.06544	1.5
108.04454	2.1
108.08125	92.0
109.06549	1.6
109.08480	0.9
110.06015	2.2
110.09695	1.0
118.06536	1.0
120.08142	6.4
121.06482	1.8
122.06020	2.3
122.09687	1.5
124.07587	2.4
127.11176	3.5
128.11520	1.0
129.10251	1.2
130.06596	1.0
132.08087	1.6
132.63683	1.0
134.06038	1.5
134.09659	1.8
136.07587	100.0
137.05951	2.2
137.07936	1.1
138.05540	6.5
138.08116	1.2
138.09128	8.5
140.07074	2.0
146.05937	0.9
148.07585	2.9
149.05959	0.9
150.09109	2.3
152.07056	3.7
154.08632	7.5
160.07597	1.2
160.11124	1.0
162.05458	2.4
162.09155	7.9
164.05714	1.0
164.07072	16.6
166.08655	6.9
167.07120	1.9
168.06567	1.6
169.09782	0.9
172.07585	2.1
174.05527	1.3
174.09100	1.2
176.07040	1.0
178.08643	2.7
180.06548	1.1
180.10214	7.7
186.09154	1.5
188.07091	1.4
190.04933	1.1
190.08656	8.5
198.09253	1.2
199.08678	2.3
201.06561	2.0
202.08804	1.3
203.08145	4.3
204.06575	1.5
206.08115	9.5
207.08911	1.3
208.09680	15.1
211.08617	2.2
212.06297	1.0
213.10205	3.1
215.08153	2.6
217.09763	6.5
218.08116	1.9
223.08617	1.0
225.10187	2.2
227.08214	4.4
229.09676	2.4
231.11409	1.0
235.10684	1.3
237.10373	1.1
239.11832	2.7
241.09671	3.9
241.13327	1.1
243.07661	1.0
243.11319	1.7
245.09268	5.6
247.10774	4.0
251.08080	1.7
253.09711	3.3
255.07651	3.5
255.11229	2.0
257.09177	1.4
257.12836	1.3
259.10809	1.6
263.10236	16.2
265.09702	2.9
267.11191	2.5
269.09201	4.6
271.10678	3.2
273.08737	2.6
281.09076	1.7
283.10568	2.2
285.12354	2.5
287.10339	3.0
289.08337	1.3
289.11853	1.6
291.09738	17.3
293.09225	1.6
295.10803	2.1
297.08640	3.4
297.12256	2.6
299.10248	2.2
301.11771	2.2
311.10403	5.9
313.11829	6.1
315.09671	9.8
315.13107	1.6
315.16815	1.0
317.11349	1.7
318.12555	1.6
319.12918	1.4
320.13486	1.7
321.08749	1.3
323.12427	39.7
324.12766	1.4
325.11679	1.2
325.15549	1.1
327.09711	1.5
329.11575	1.8
331.13019	1.0
332.13818	1.3
339.09824	2.5
341.11343	2.4
343.09216	2.6
343.13138	1.3
343.16577	8.4
345.18341	1.1
347.12476	4.5
350.15009	1.2
353.14938	4.0
357.10803	1.6
359.12579	2.1
360.13272	1.2
364.12811	1.4
371.16351	4.3
372.13168	1.3
373.13864	10.0
373.17813	2.1
375.11829	16.3
375.16165	1.7
378.14639	1.8
389.14447	2.3
418.17352	1.1
432.15665	1.3
434.16989	4.2
436.18695	1.9
438.17197	1.1
450.16690	1.9
452.18213	8.5
462.16519	5.1
464.18066	1.0
478.16672	1.8
479.16254	1.1
480.17728	25.4
492.17413	1.4
494.19000	3.7
496.16992	1.1
498.18683	7.7
510.18530	4.5
512.20337	33.5
522.18481	1.4
524.20209	3.4
528.19788	5.9
530.13708	1.5
530.21320	18.6
597.23041	1.0
599.24622	1.8
615.24396	2.0
617.25873	2.2
625.22827	1.9
633.25543	9.5
643.24200	5.8
647.26617	3.9
657.24597	1.9
661.24957	8.6
665.28143	15.5
675.26392	5.9
693.18042	1.1
693.27704	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	693.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10065	0.8
53.03928	0.9
65.03936	2.7
67.05503	5.5
68.28695	0.9
69.07062	1.7
70.06579	4.3
70.17610	3.2
70.18018	2.1
74.35286	1.0
78.95074	0.9
79.05476	1.5
82.06537	1.1
84.08176	1.1
86.09734	2.1
91.05467	1.8
93.05766	3.9
93.38763	1.0
94.06559	1.6
95.04972	2.2
96.08141	1.6
108.08122	78.8
109.51472	1.0
110.09669	1.4
120.08118	5.7
122.06025	2.8
124.07565	2.8
132.08043	1.4
132.72012	1.0
134.06013	1.8
134.09650	1.9
136.07585	100.0
138.05504	8.8
138.09125	2.7
140.07088	3.0
142.08669	1.1
148.07571	2.4
152.07098	2.7
154.08685	2.7
162.09105	1.6
164.07071	14.2
166.08670	4.8
168.06657	1.0
176.51529	1.0
190.08643	5.1
192.06563	2.9
195.09120	1.1
201.06737	1.1
201.10274	1.3
204.06532	7.3
205.04851	0.9
209.10719	1.9
211.08705	1.0
213.10310	1.4
215.08212	2.2
218.08099	3.0
222.07620	1.2
223.08641	2.1
224.09372	1.8
225.10283	3.4
227.11838	1.4
229.09691	1.6
237.10219	9.0
239.08072	1.4
239.11804	4.2
241.09721	3.9
243.11349	1.2
249.10490	1.0
251.08105	2.7
253.09761	4.1
255.07588	2.1
255.11188	1.8
257.09506	1.5
257.12830	5.2
265.09732	16.2
266.10263	1.5
267.08081	1.6
267.11215	8.3
269.09259	4.5
270.10031	1.2
271.10968	1.8
271.14386	1.5
275.13913	3.3
277.09760	1.3
279.07654	3.8
280.08447	3.2
281.09216	6.9
282.09985	1.2
283.10822	6.3
284.11380	2.3
285.08881	1.5
285.12320	2.5
286.13080	1.5
293.09210	20.1
294.09769	1.4
295.10794	13.7
296.11398	1.7
297.08722	2.4
297.12051	1.3
299.10342	2.8
301.12054	1.7
301.15527	1.9
303.13553	2.0
311.10239	10.8
312.11047	1.9
313.11865	4.8
315.09760	2.7
321.08713	13.6
322.09286	1.4
325.08109	1.5
326.08749	1.1
327.09750	1.6
329.11374	2.6
339.09766	64.7
340.10199	1.7
341.11261	3.7
343.09192	3.8
343.12967	3.2
344.13742	2.5
347.12848	1.3
357.10925	3.1
358.12021	2.0
359.12509	2.0
361.14142	1.2
371.12372	15.6
372.13016	4.2
373.14090	2.6
375.11804	8.1
376.12555	1.5
377.13699	1.2
389.13477	16.6
390.13803	1.6
404.16312	1.2
406.17798	1.5
407.12567	4.9
424.18533	1.8
432.15497	2.3
434.17053	2.2
436.18665	2.6
450.16660	1.4
452.17938	2.9
460.14862	3.7
461.15753	1.8
462.16559	3.2
474.16669	1.3
478.16205	11.5
479.17020	3.4
480.17734	14.0
481.18091	2.0
483.19940	3.1
492.17761	1.3
494.18991	1.5
498.18790	2.4
510.18738	4.1
511.19547	12.9
512.20148	8.9
528.19720	1.9
530.21539	6.9
571.25323	1.2
581.23749	1.8
597.23230	5.6
598.22095	1.2
599.24896	5.7
615.24365	13.5
625.22913	18.3
626.21399	2.8
633.25500	1.3
643.24005	32.9
647.27216	12.4
648.27625	1.3
657.26392	1.9
661.24524	3.4
675.26697	19.3
676.26434	1.7
693.27588	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	693.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
55.01875	1.0
55.05505	0.5
57.52798	0.5
64.26896	0.5
65.03950	0.9
67.05489	1.9
68.58440	0.5
69.07053	0.5
70.06603	3.6
71.00308	1.0
72.08154	1.6
79.05485	1.3
81.07058	0.9
84.08115	1.7
85.02889	0.6
85.06538	0.7
86.09686	1.6
91.05480	2.5
93.05779	1.7
93.07049	2.5
94.06579	1.9
95.04994	0.9
103.05486	0.5
105.58250	0.5
106.06570	0.7
107.07315	0.7
108.04500	1.2
108.08121	46.9
109.06513	0.9
110.06007	1.0
111.08041	1.1
117.07093	0.6
119.04937	1.2
120.08125	1.5
122.06046	2.2
122.09644	1.3
124.03890	0.9
124.07616	1.5
129.10220	0.9
132.08043	0.6
134.05978	1.2
134.09662	2.3
135.08102	0.8
136.07582	100.0
137.06056	1.3
137.08385	9.7
138.05498	0.7
138.09120	3.4
140.07076	0.8
145.94586	0.6
147.06792	0.9
148.07588	5.5
150.05565	0.8
150.09126	1.7
152.07079	2.1
154.08635	10.7
160.07603	1.0
161.07166	0.9
162.05498	1.0
162.09132	5.3
163.07535	0.8
164.07072	20.4
165.07870	10.9
166.08664	4.6
168.06561	1.9
172.07596	1.3
173.07100	0.7
174.09143	1.5
175.08673	1.2
176.07112	1.0
177.05458	0.8
178.08641	2.0
180.10179	4.6
185.10732	0.7
187.03859	0.6
187.08688	1.3
188.07037	1.0
189.67650	0.5
190.08646	4.4
192.10220	0.5
199.08684	2.3
200.07201	0.6
200.09433	0.7
201.06584	6.8
201.10284	1.5
202.08673	1.0
203.08183	2.9
206.08145	4.9
207.08975	1.0
208.09683	9.2
211.08649	0.7
213.06673	0.9
213.10254	2.1
215.08295	3.3
215.11842	1.0
216.08952	1.9
217.09714	4.4
218.08163	4.0
220.09705	1.0
223.08693	1.5
224.07060	1.0
225.10295	1.4
227.08180	5.7
228.08859	1.2
229.06065	1.7
229.09796	5.0
231.07634	1.2
235.10704	0.8
241.09811	4.8
242.06981	1.3
242.10422	0.7
243.07564	4.1
243.11282	2.7
244.08354	6.0
245.09265	4.1
247.10754	3.6
250.07021	0.7
251.08281	0.9
254.07805	0.6
255.07603	4.9
257.09183	3.9
257.12692	0.8
263.10254	9.5
269.09216	6.4
270.10049	1.5
271.07410	1.0
271.10770	4.4
271.13348	0.7
273.08813	2.7
273.12384	0.7
275.10455	0.7
281.09305	1.3
283.07257	1.0
285.12225	1.5
287.10199	3.1
288.10913	1.0
289.08179	2.2
289.11868	3.6
291.09760	44.7
297.08786	4.2
298.09818	1.3
299.05557	5.0
299.10687	2.8
299.13885	1.7
301.08176	0.9
301.15521	2.6
302.09003	1.2
302.13922	1.1
303.09811	1.0
307.14496	0.8
313.11710	0.9
315.05151	1.8
315.09750	12.7
316.10498	6.6
317.11282	5.6
319.16565	1.5
323.12375	27.3
324.12698	1.3
325.08148	2.2
325.15521	1.9
327.09866	1.4
339.09912	1.0
343.09296	10.3
343.16431	5.8
344.10013	3.0
345.10727	1.7
345.17920	0.6
347.12576	3.0
349.13840	4.1
353.14954	8.1
357.10806	1.9
359.12497	1.4
361.10425	1.8
371.16077	14.1
373.17712	0.8
375.11884	28.3
376.12592	11.3
377.13525	2.7
434.17242	1.2
450.16937	0.7
452.18433	1.5
462.16516	0.8
464.18332	1.5
478.16248	1.8
480.17899	4.1
496.17148	1.3
498.18732	7.3
510.18518	1.3
512.20288	4.1
528.19946	1.5
529.20508	1.9
530.21320	11.7
599.24756	0.8
615.24512	3.9
617.26038	2.5
633.25708	4.6
643.23834	5.2
647.27502	1.5
661.25098	16.1
662.25598	0.8
665.27942	1.9
675.26367	4.8
693.27618	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	692.3858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.1
55.01869	6.2
55.05278	2.4
55.05518	36.9
57.03432	21.2
57.07066	4.2
59.05003	2.9
61.02921	6.9
65.03938	3.0
67.05511	100.0
69.03423	6.3
69.05456	1.9
69.07069	20.7
69.42465	11.9
71.01355	1.6
71.05006	7.7
73.02917	6.6
79.05502	43.2
81.03063	1.4
81.03433	15.0
81.07065	70.0
83.04987	13.0
83.08624	21.3
85.02917	20.7
85.06532	5.3
87.04465	5.8
91.03963	4.1
91.05491	29.7
93.06488	3.3
93.07050	50.9
95.04958	10.1
95.08611	22.5
97.02892	6.3
97.06533	11.7
97.10186	15.3
98.20802	3.0
99.08095	2.4
105.07037	13.5
107.04953	4.5
107.08602	29.9
109.02898	1.8
109.06505	4.8
109.10166	54.5
111.04402	2.4
111.08126	8.1
117.07025	8.7
119.08587	11.5
121.06493	3.0
121.10165	13.9
123.08065	2.3
123.11687	4.6
125.09628	13.8
127.03918	2.4
129.05484	4.1
129.07004	3.0
131.08566	9.4
132.53523	1.6
133.10152	12.8
135.08063	2.9
135.11682	10.3
137.09590	2.6
143.10716	1.5
145.10149	6.0
147.11673	4.9
149.09579	1.5
149.13264	11.8
153.12715	4.9
155.10689	7.4
157.10117	1.8
159.11708	7.3
163.11162	8.9
165.12759	3.3
167.14375	2.6
173.11743	15.8
175.11182	3.3
181.12236	3.1
186.00055	1.5
191.10741	2.7
193.12268	5.0
195.13800	15.4
199.13263	6.7
209.11794	9.1
211.13287	3.7
217.14651	1.6
227.12762	6.7
229.14383	53.3
239.16426	4.4
265.14471	1.6
267.16071	9.5
269.17511	56.7
283.15387	5.9
290.81622	1.8
301.16501	19.3
309.26666	1.7
323.18515	2.4
411.27371	6.4
423.27365	29.1
431.28134	2.4
495.29572	62.3
513.30627	24.9
562.52130	1.6
642.24835	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	692.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.1
55.05513	7.6
57.03448	6.2
57.07077	1.3
61.02938	1.7
65.03930	1.2
66.45730	0.9
67.05511	21.6
69.06796	0.9
69.07081	11.6
69.76656	5.2
70.06592	1.0
71.04992	3.6
79.05064	1.6
79.05496	13.9
81.03408	1.0
81.07065	74.3
83.04984	5.6
83.08639	8.2
85.02925	1.5
85.06543	3.5
91.05486	20.2
93.07046	10.4
95.04967	2.5
95.08612	16.4
97.06537	5.8
99.08091	4.1
101.06012	1.4
105.07041	31.8
107.08610	11.7
109.06524	3.9
111.08067	1.1
113.05991	1.2
119.08591	26.8
121.10153	17.9
123.08077	4.8
123.11720	29.4
127.07586	3.1
129.06973	1.3
133.10150	2.8
137.13235	2.4
141.09035	1.1
145.10117	1.4
147.11700	69.1
157.10138	2.6
165.12769	29.4
175.11229	2.5
183.13828	3.4
193.12219	1.8
198.12646	0.9
229.14262	7.6
231.53372	1.0
232.46478	1.0
267.15933	89.4
268.16183	1.0
283.83673	1.0
285.16983	100.0
293.56396	1.0
343.70758	1.1
427.18076	1.1
431.76416	0.9
477.28455	14.4
484.13327	1.4
485.14505	1.6
495.29584	75.1
496.29855	2.5
513.17303	2.8
514.17676	3.9
524.16302	1.3
601.20935	1.0
602.23401	1.0
692.26465	24.5
693.25824	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	0.8
70.79016	1.1
70.79333	0.7
81.07069	1.1
91.05461	0.8
119.76500	0.7
178.74283	0.8
197.52008	0.7
302.48636	0.7
419.22766	0.9
431.17682	1.8
432.18057	8.3
445.18933	1.7
446.19409	12.3
447.20648	3.4
459.21008	0.7
460.21362	16.4
461.22052	8.4
474.22876	8.6
475.23676	3.8
476.24451	2.4
486.26440	3.4
488.24362	9.3
489.25339	2.3
502.26251	2.3
503.26892	15.5
504.27243	2.0
516.23999	4.1
517.24445	1.3
518.22516	1.0
518.29407	5.4
521.38385	1.4
530.25232	1.4
531.26300	15.9
532.27307	6.6
533.24097	1.3
534.25146	0.9
535.27002	1.1
546.28680	28.0
547.29022	1.4
548.26575	1.3
562.28033	4.1
563.28802	1.3
576.29999	1.6
590.30817	3.6
604.29102	11.0
605.33765	9.6
618.30719	18.5
619.31128	1.2
632.32410	2.2
633.33105	76.7
634.33533	3.8
692.34418	100.0
693.35040	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	691.4412
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.1
55.05518	31.3
57.03419	15.9
65.03923	5.0
66.61758	3.5
67.05505	85.1
69.03436	25.9
69.07072	25.5
70.88574	9.1
71.04975	10.6
79.05078	5.1
79.05494	63.7
81.03419	44.8
81.07053	100.0
83.04978	21.0
83.08595	16.6
85.02896	11.4
85.06538	4.6
87.04471	3.6
91.05485	57.7
93.07051	69.1
95.04962	11.7
95.08614	55.0
97.02899	14.8
97.06516	8.1
97.10161	6.7
99.08059	3.9
105.07037	35.6
106.23776	3.6
107.04961	7.0
107.08587	33.6
109.02865	8.3
109.10136	26.4
111.04437	9.8
111.08103	5.6
117.07040	20.0
119.08580	30.2
121.06518	5.3
121.10152	31.5
123.08065	7.2
123.11700	10.4
127.03902	4.8
128.06239	4.1
129.05438	15.1
129.06989	6.8
131.08583	24.7
133.06435	5.4
133.10117	23.9
135.08070	5.2
135.11679	19.9
141.07010	5.0
143.08525	9.3
143.56271	3.6
145.06514	4.5
145.10104	15.2
146.69936	3.5
147.08029	8.4
147.11743	18.1
147.30334	3.8
149.13280	19.5
157.10089	9.2
159.11664	22.4
161.13216	9.7
163.14818	3.9
165.12755	6.7
171.11667	10.8
173.13300	9.6
177.12849	5.7
183.11591	4.0
185.13126	5.1
187.14787	4.5
195.13797	11.8
213.12885	3.8
259.20496	5.2
261.22049	5.6
267.15857	9.3
269.17468	27.9
301.21695	3.7
317.24597	5.0
318.02072	3.5
321.16901	4.4
335.25830	28.8
337.27579	4.1
369.24280	7.6
387.25192	4.2
408.28433	4.2
413.21616	5.0
461.28650	4.9
529.38873	50.6
547.40088	5.0
637.40649	5.9
655.42084	7.4
673.42511	14.3
691.43274	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	691.4033
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94582	0.2
56.05038	0.6
67.05511	0.3
69.03430	0.6
69.07071	5.6
70.06600	2.3
71.09300	0.6
71.09651	0.3
72.08144	0.9
81.03413	0.5
81.07066	0.8
84.04508	5.1
84.08150	1.3
85.02919	0.8
86.09711	66.8
89.06013	0.4
91.05492	0.9
93.07050	1.3
95.08566	0.4
102.05550	10.2
103.03974	0.9
103.05447	2.6
105.07050	0.8
107.08585	0.4
109.10109	0.3
120.08111	100.0
121.08430	0.7
125.05933	0.3
125.09615	0.5
127.03931	0.4
129.06567	0.4
131.04935	0.9
131.08589	0.3
133.06558	0.4
133.10178	0.5
136.07605	0.8
143.08585	0.3
167.07048	0.9
186.09160	6.4
188.14386	1.1
189.12344	3.4
197.12788	0.7
199.18062	10.1
204.10277	1.1
215.13965	2.3
225.12317	0.4
227.17554	8.6
231.11285	1.0
233.16466	1.4
243.13486	1.2
249.12369	33.2
250.12715	0.4
260.09216	0.3
261.16165	1.6
277.11853	40.1
278.11975	0.4
295.23724	0.4
302.20694	2.2
317.18567	0.9
338.20749	0.4
340.26013	0.8
345.18121	0.9
356.21878	2.0
362.20776	1.1
372.19006	0.4
374.24350	1.0
384.21170	0.4
390.20255	39.6
391.20554	0.8
415.29190	0.7
425.33920	0.3
457.27869	0.5
458.26550	0.9
469.30011	0.4
472.14850	0.5
472.39542	0.3
475.29202	7.3
503.28671	18.7
504.29440	0.5
529.16473	0.3
571.34735	0.6
588.37256	1.3
616.37048	1.4
655.22980	0.3
673.23737	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.7
55.05510	1.3
57.03433	1.7
59.05002	0.4
61.02931	4.7
67.05178	0.8
67.05511	9.1
69.03434	3.4
69.07071	1.2
69.61920	2.4
70.60242	0.4
71.05004	0.7
73.02924	4.2
79.05501	2.3
81.03419	2.0
81.07066	4.7
83.08627	0.6
85.02917	5.3
91.03968	3.0
91.05495	1.9
93.07043	2.6
95.08603	2.4
97.02901	4.9
99.04450	1.1
101.02411	2.0
103.15690	0.5
105.07050	1.0
107.08591	1.5
109.02859	0.9
109.10157	8.1
111.04449	0.5
111.08100	0.5
117.07008	0.5
119.08600	1.0
121.10169	1.2
127.03959	1.5
131.08569	1.0
135.11729	0.7
143.89932	0.5
145.10127	0.7
155.10701	1.0
173.11777	1.3
185.04251	1.0
189.63013	0.5
195.09946	0.7
229.14355	1.1
243.08507	1.9
298.65979	0.4
335.26147	0.8
349.01718	0.4
413.17862	10.0
519.29401	5.5
691.40302	100.0
692.40466	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	691.403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.9
55.05511	1.2
57.03435	1.4
60.51781	0.3
61.02934	5.4
62.41253	0.3
67.05513	7.6
69.03432	2.9
69.07077	0.9
71.01363	0.6
71.48956	0.6
73.02916	3.3
79.05492	2.3
81.03432	1.5
81.07057	4.8
83.08631	0.8
84.04505	0.3
85.02915	5.4
87.04506	0.5
91.03962	2.7
91.05466	1.9
93.07052	3.5
95.05009	0.4
95.08629	2.5
97.02892	4.5
99.04451	0.8
101.02392	1.7
103.03980	0.5
105.07061	1.2
107.08582	1.9
109.02903	1.0
109.10177	4.1
111.79636	0.3
115.03952	0.4
117.07024	0.5
119.08624	1.2
120.06744	0.3
121.10146	1.2
127.03946	1.1
129.06964	0.3
130.46341	0.3
131.08562	0.8
133.10150	0.7
135.11697	0.8
147.11748	0.5
151.11172	0.3
162.57339	0.4
173.11749	0.7
185.04211	0.6
195.09892	0.8
229.14349	0.5
236.30370	0.3
243.08528	1.6
251.12781	0.4
335.25870	0.6
413.17853	4.3
482.16245	0.4
497.31073	0.4
519.29279	8.5
691.40308	100.0
692.40533	3.9
715.54779	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
63.19896	0.4
70.01292	1.5
95.50160	0.5
162.47366	0.5
267.47769	0.4
413.12009	0.5
414.27893	0.4
428.14441	0.6
429.15332	0.6
442.16583	1.2
443.17276	0.6
456.14041	0.7
456.90475	0.4
457.18927	3.3
469.10849	0.5
470.12106	1.4
483.12506	4.8
484.13730	10.3
484.20392	0.7
485.13629	2.6
486.15808	0.7
495.17099	0.8
496.17593	0.7
497.13821	5.0
498.15414	7.2
499.15485	2.9
500.16956	0.5
508.13596	0.7
509.18738	0.6
510.19250	1.2
511.16162	2.3
512.17017	7.4
513.17755	25.3
514.18585	6.4
515.19800	0.8
522.18842	0.6
523.16101	8.6
524.16840	0.7
525.17700	2.2
526.18665	3.0
527.19470	7.1
528.20013	1.1
545.24072	0.8
555.18475	3.2
556.19635	0.8
557.24084	0.9
569.20782	0.7
571.18225	0.6
572.19141	1.0
573.19769	0.7
599.21710	1.7
600.22119	2.3
601.23102	2.5
613.22809	0.4
614.24042	1.3
659.23792	1.4
660.24225	3.3
661.24951	0.6
673.24902	2.0
691.26184	100.0
692.26410	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	689.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69738	0.5
55.01892	0.5
55.05522	0.8
67.05527	1.2
69.18304	4.0
69.18708	1.3
73.17388	0.4
79.05512	0.6
81.03408	1.4
81.07060	1.5
86.72426	0.5
87.39441	0.5
91.05473	1.5
93.07037	1.2
95.08624	1.2
98.21460	0.9
105.07022	0.9
107.08588	1.0
119.08602	0.7
121.10152	0.8
122.09690	0.6
129.07030	0.7
131.08598	0.6
144.08142	0.8
146.09698	0.5
155.08450	0.6
165.20207	0.5
168.08165	1.1
169.07654	0.6
183.09187	0.9
184.07729	0.5
189.26097	0.6
193.07634	0.6
194.52692	0.5
195.09221	1.8
196.09978	1.0
197.10712	0.9
207.09111	1.0
208.09772	1.1
209.10658	7.1
210.11424	2.6
211.08733	1.3
211.12367	1.8
213.10306	0.8
221.10785	1.2
222.11342	3.6
223.08833	1.0
223.12297	7.0
224.09450	1.0
224.13103	6.2
225.06758	1.2
225.13861	4.8
226.14636	1.2
235.08655	1.2
235.12398	1.6
236.13150	1.4
237.10248	2.3
237.13890	14.8
238.11000	0.9
238.14632	6.2
239.08157	4.9
239.15515	3.2
240.08983	1.1
241.09729	1.2
249.10303	0.8
250.11084	1.1
251.11914	1.7
252.12668	1.8
253.09779	1.2
253.13341	2.6
254.10419	0.5
255.11368	1.6
265.13394	7.1
266.14191	3.6
267.07724	2.1
267.15039	1.7
269.09213	1.0
281.09299	1.8
283.10995	1.0
285.08817	3.2
297.12445	0.9
299.10370	1.4
301.11969	0.8
309.08780	0.8
312.14883	0.8
313.15674	0.9
321.39673	0.5
323.14005	1.2
325.15527	5.4
326.16531	0.8
327.09851	8.3
328.18219	0.7
342.12506	0.6
352.18057	0.7
356.14044	0.8
382.11496	0.5
391.15805	0.6
403.15573	0.6
405.17691	0.8
406.17999	1.1
407.18875	0.9
419.14648	1.0
420.15771	0.9
421.15887	0.6
421.20663	1.0
433.16501	1.2
434.17529	1.0
435.18298	1.7
438.34680	0.5
447.18604	0.8
448.20071	0.9
449.20007	1.7
459.18417	1.0
461.16989	0.7
463.21933	0.8
464.22540	1.0
465.23318	1.1
474.19034	0.5
476.18948	0.7
477.19229	2.3
478.19769	1.1
491.21411	2.7
492.21643	1.9
493.22128	1.7
494.19476	0.9
495.20508	0.7
507.23834	1.2
508.22449	0.7
509.22064	2.2
518.20599	0.6
519.20648	2.3
520.20917	0.8
522.19342	0.7
527.37854	1.0
533.22223	1.5
535.23517	2.0
536.20740	1.7
537.21381	4.1
550.18872	0.7
551.22736	3.1
552.23578	3.4
561.21539	1.9
567.25610	1.2
579.22540	11.2
580.23352	1.2
593.24365	0.9
594.23328	0.7
595.25629	1.5
597.23517	1.8
607.22113	1.5
611.23877	3.2
621.23444	2.6
629.26422	0.7
639.24561	100.0
640.24792	4.6
671.27094	11.3
688.54517	1.4
689.26593	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.0
63.07196	1.6
64.04623	1.7
67.05499	3.1
70.06567	1.7
71.23965	2.5
79.05523	2.0
81.07044	3.3
91.05453	2.7
107.08611	2.1
113.47159	1.9
114.42074	2.2
114.52784	1.8
145.10167	2.3
183.78548	1.9
209.10764	8.3
210.11388	2.4
211.12297	2.8
222.11377	4.0
223.12367	8.7
224.13078	8.1
225.13872	6.3
237.10231	3.6
237.13881	17.0
238.14659	7.2
239.08212	4.2
239.15305	2.2
247.58775	2.0
252.12686	2.6
253.13396	2.2
258.97070	1.8
265.13354	7.0
266.14163	4.2
267.07593	3.3
281.09229	2.4
282.25266	1.8
285.08643	2.8
325.15506	6.2
327.09753	9.4
368.18140	2.1
435.17780	3.1
448.18613	1.9
449.19974	3.4
463.18427	2.2
509.21710	3.3
537.21173	2.4
551.22845	3.3
552.23578	3.2
579.22437	10.0
597.23157	4.2
607.24146	5.9
611.23413	1.8
614.24548	2.3
621.23340	2.3
629.25952	4.3
639.24463	100.0
640.24664	4.6
657.25360	9.4
661.99237	2.1
671.27368	16.8
689.26202	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	689.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23277	1.0
53.17639	0.9
67.05487	1.0
68.53020	1.0
69.03394	1.3
70.30717	1.0
71.48254	1.4
79.05466	1.5
81.07048	1.7
82.75610	1.0
83.05002	1.0
93.07027	1.2
103.95440	0.9
108.08119	1.3
130.07983	1.0
155.19368	1.2
181.47313	1.0
195.09167	1.7
196.09909	1.8
197.10750	1.3
199.08818	1.1
209.10667	6.8
210.11450	1.7
211.12234	1.4
221.10765	2.1
222.11324	2.1
223.08618	1.3
223.12234	5.2
224.13048	5.1
225.13805	7.0
227.08101	2.1
235.08595	1.6
236.13133	1.4
237.10211	3.8
237.13844	15.8
237.77431	1.1
238.14647	7.1
239.08064	5.1
239.15364	4.7
250.10953	1.2
251.08070	1.4
251.11749	1.6
252.12762	1.6
253.09761	2.0
253.13278	3.9
255.11134	1.5
257.09210	1.1
265.13361	8.9
266.14166	4.0
267.07611	2.6
267.14896	2.1
269.09424	1.0
281.09177	2.7
285.08719	3.0
297.12497	1.1
299.10275	2.1
325.15363	4.9
327.09705	7.1
364.16779	1.2
393.17029	1.1
419.14517	1.2
421.20627	1.3
431.18790	1.3
435.17886	1.6
436.62842	1.1
448.19525	1.2
449.19757	1.9
450.19992	1.4
459.17969	1.3
476.18686	1.6
477.19351	2.7
478.19965	1.4
491.20737	1.9
492.21146	1.2
509.21667	2.4
519.20123	2.0
535.22876	1.9
537.20886	3.1
547.23547	1.5
551.22498	3.0
552.23285	3.4
579.22400	11.8
580.23187	1.5
597.23303	4.9
607.25885	4.7
609.25726	1.1
611.23596	3.1
615.24005	1.6
621.22534	3.3
629.25842	4.8
639.24530	100.0
640.24390	3.8
647.26178	2.1
657.25415	9.7
671.27124	17.7
672.27527	1.9
689.27228	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	689.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49111	1.2
55.05510	2.2
57.03425	1.1
67.05524	6.1
69.03417	1.9
69.07074	1.5
69.86105	5.9
79.05507	4.7
81.03423	3.0
81.07066	7.0
83.08636	1.4
85.06529	1.2
86.73361	1.2
91.05484	4.0
93.07048	6.1
95.04982	1.3
95.08627	4.3
97.02895	1.4
105.07069	5.0
107.08612	3.3
117.07019	2.0
119.08567	1.8
120.34048	1.5
121.10148	2.7
127.64587	1.4
129.07034	2.0
130.06525	1.5
131.08604	2.4
135.11711	1.6
143.08582	2.5
145.10106	2.9
145.95055	1.2
147.11690	2.8
152.80994	1.1
157.10153	2.0
159.09308	1.1
164.10828	1.9
171.11723	1.9
173.13254	1.2
221.10843	1.2
223.12424	1.3
225.13892	1.5
235.12415	1.6
237.13913	2.8
247.12419	1.6
249.14000	1.6
250.13586	1.2
279.14963	1.4
288.15137	1.5
303.13580	1.3
314.16513	2.2
318.16327	1.8
321.22290	1.1
323.14017	2.4
339.16440	1.4
340.17566	1.3
341.41895	1.5
350.16660	1.5
353.18198	1.6
363.16620	1.4
364.17645	1.9
365.17914	4.2
367.19406	2.1
379.19455	2.3
381.21030	3.2
386.18649	2.0
393.21359	2.5
394.17694	6.5
395.18875	3.7
396.19614	1.3
407.18399	1.5
407.22980	1.8
408.19421	3.0
409.20264	44.2
410.20975	3.4
414.21921	1.8
421.20465	1.9
422.16763	1.6
423.22101	16.5
424.22592	22.3
425.23367	1.6
429.20624	6.7
435.22293	1.9
437.24216	2.3
439.17542	2.8
447.22269	1.7
449.20020	2.0
451.21616	3.2
453.18811	11.3
454.20255	3.7
455.24969	2.5
463.21271	4.3
464.22516	1.9
465.23105	2.7
467.20911	4.5
468.21667	5.1
469.22495	2.6
480.18170	1.7
481.22659	5.3
482.23151	3.3
483.24026	5.0
489.23343	1.8
493.22534	4.3
495.24582	2.4
496.25101	3.8
497.25681	28.2
498.26208	5.5
508.24551	2.0
509.21960	4.9
510.22403	2.3
511.23517	1.8
523.23523	2.2
524.24579	3.2
526.22357	3.0
527.23114	6.4
527.37244	5.2
537.20941	2.7
541.24585	37.5
542.25104	10.1
543.25677	3.8
545.38226	1.8
553.20667	7.2
554.22412	2.1
567.26190	10.2
568.23401	3.7
569.23914	3.2
579.22137	3.2
581.20740	1.6
584.26416	27.6
585.26843	4.1
586.27588	7.2
595.25122	1.9
596.23547	1.9
597.23535	2.1
611.25159	14.6
612.25159	3.1
627.28265	2.0
628.25366	4.3
629.25916	10.3
630.26459	6.2
639.24463	20.7
657.25476	1.5
671.27161	100.0
672.26947	5.8
689.28210	94.1
689.41125	3.2
690.28882	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
66.41395	0.4
67.05500	1.1
69.03425	0.4
70.35386	0.8
70.35766	0.9
73.13582	0.4
79.05484	1.3
81.03414	1.1
81.07059	1.3
82.99120	0.4
91.05489	1.2
93.07051	0.8
95.05012	0.5
95.08586	0.7
105.07021	1.0
107.08573	0.6
110.95015	0.4
119.08591	0.7
121.10146	0.5
123.35222	0.4
131.08595	0.5
133.10149	0.5
189.18640	0.4
263.96677	0.4
295.89014	0.4
384.12491	1.8
385.13504	1.9
386.14801	0.4
397.12878	2.3
398.13745	7.8
398.18515	0.6
399.14590	5.2
400.16440	9.0
410.13962	0.9
411.14905	2.7
412.15323	11.3
413.16119	11.9
413.21585	0.8
414.16882	1.7
416.14621	1.9
418.17642	2.3
424.15433	1.1
425.16187	1.8
426.17285	3.9
427.12558	0.7
427.17816	11.5
428.18713	15.2
429.19598	2.0
430.16547	1.2
437.16092	0.7
438.16699	0.8
439.13904	1.1
440.14737	1.8
440.19058	1.1
441.15610	3.4
441.20093	1.5
443.13553	1.5
444.14404	1.4
445.19205	1.8
446.17200	1.7
453.15796	0.8
454.16559	0.6
455.17160	49.4
456.17761	6.8
457.14523	3.0
458.15875	6.8
459.16605	5.4
460.17316	0.5
468.17969	0.7
469.15393	2.1
471.16751	3.6
472.18082	2.5
473.18716	2.0
480.14124	1.1
482.15500	0.8
483.16650	40.6
484.16788	4.5
485.14966	0.5
485.18597	0.8
486.19275	4.2
487.20853	6.4
495.16827	2.1
497.18033	0.7
499.15872	1.2
499.20132	0.7
500.16797	0.7
501.17685	2.1
509.18188	1.4
510.19177	0.8
513.17694	1.1
514.18329	0.6
515.19000	6.3
516.20068	1.6
523.15997	3.6
524.16986	0.5
527.15186	7.8
528.15247	2.0
537.17700	1.7
538.18097	2.3
541.20331	1.5
542.21509	1.2
545.20209	0.8
555.18695	4.2
556.18970	0.7
569.20386	4.3
570.20770	12.6
571.20844	1.1
573.23206	0.9
574.24323	13.9
575.24298	0.9
587.21155	2.5
588.21887	0.5
597.19946	1.1
601.22937	9.3
602.23749	100.0
603.24176	5.5
607.25165	0.8
612.22607	0.8
615.20685	1.0
629.22437	25.5
630.22626	6.1
632.21680	0.5
633.25488	3.5
643.24182	4.1
657.21838	17.9
658.21906	1.3
661.25177	5.1
689.24310	11.5
689.41931	0.7
690.24316	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38486	0.6
55.05487	0.9
67.05508	1.6
71.22489	0.8
71.22842	0.9
75.14478	0.6
78.83654	0.7
81.03410	1.5
81.07066	1.0
91.05498	1.6
93.07042	1.5
95.08630	1.1
105.07034	1.4
117.07015	1.2
133.10164	1.2
143.08525	0.9
147.11707	1.2
149.90146	0.8
159.11778	0.7
159.95663	0.7
234.02151	0.7
384.12396	2.8
385.12982	5.3
386.14188	1.4
397.13077	2.4
398.13730	10.2
399.14520	16.0
400.15469	22.5
401.16284	2.4
410.13528	1.2
411.14667	2.2
412.15268	9.7
413.16098	17.7
414.16956	11.6
416.14767	1.2
417.14749	0.9
418.17505	2.8
424.15536	2.1
425.16693	1.4
426.17450	4.1
427.18243	15.9
428.18637	18.2
429.19522	13.2
439.17996	1.1
440.14496	1.8
441.14792	7.8
442.16266	13.6
444.14008	1.6
446.17401	2.3
452.14676	0.8
453.15698	1.4
454.16599	1.1
455.17197	37.9
456.17657	19.7
457.14655	1.6
457.18134	1.1
458.15598	4.6
459.16776	7.7
460.16974	1.6
469.14282	4.1
470.19327	1.2
473.18494	1.4
481.15137	3.4
482.15503	1.0
483.16614	33.0
484.16541	9.9
486.19019	2.0
487.16226	3.7
487.20721	0.9
488.16290	2.7
495.16867	1.8
496.17578	1.0
499.15973	8.5
499.22330	0.8
500.16727	2.8
501.17548	1.4
509.14740	1.3
511.20334	3.7
512.13708	1.2
513.14307	1.4
514.18170	1.6
515.19550	1.6
516.20313	1.5
523.16235	2.4
524.16608	1.5
527.15582	29.2
528.15845	21.3
537.17523	1.6
538.18463	1.3
539.19366	13.6
543.22375	19.2
554.18201	0.8
555.18268	2.4
569.20160	1.5
570.21008	1.2
571.21899	100.0
572.22308	7.0
574.24207	8.4
586.20404	1.7
587.21283	3.4
591.17377	0.8
601.23071	6.8
602.23773	42.8
603.23907	2.1
614.20447	1.4
615.20636	4.2
617.25800	2.7
629.22406	37.0
630.22766	63.5
631.22699	4.1
633.25171	1.9
643.23712	1.1
657.21881	64.7
658.22308	5.5
661.25098	6.2
671.26752	1.3
689.24585	20.2
689.41180	0.9
690.24762	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	1.4
70.08836	2.0
70.09236	1.3
70.15542	0.6
74.96716	0.7
75.59171	0.9
79.05511	1.6
81.07061	1.4
86.59811	0.7
91.05480	1.1
93.07043	1.1
94.23779	0.7
95.08607	1.5
105.07079	0.8
119.08586	1.6
144.08020	0.9
146.09633	0.8
160.07536	1.0
166.08733	1.1
172.07687	1.1
181.38467	0.8
187.08804	1.0
195.09172	0.8
196.09903	1.6
197.10765	1.3
199.08733	2.6
207.09149	0.9
208.09833	1.1
209.10724	7.2
209.12193	0.6
210.11536	2.1
211.12325	2.9
213.06593	1.2
213.10378	1.0
221.10748	1.2
222.11288	3.7
223.08710	2.6
223.12286	6.6
224.13054	4.6
225.10188	0.8
225.13783	3.5
226.14719	1.1
227.08142	1.9
227.15588	0.8
232.09798	0.8
235.12410	1.3
236.09494	1.0
236.13200	1.1
237.10251	2.4
237.13889	14.8
238.14612	8.7
239.15407	5.4
240.86729	0.7
241.09833	1.2
246.11551	1.0
248.09100	0.9
249.13838	1.3
251.11842	1.3
253.13510	1.8
255.07687	1.4
255.11354	1.8
265.13406	10.0
266.14117	4.5
267.14853	4.6
269.09464	0.9
273.12253	1.3
282.13617	1.2
283.10699	1.2
285.12442	1.0
287.14063	1.2
297.12408	3.3
298.13614	0.9
301.12393	0.9
301.15881	1.0
302.16483	0.8
309.16104	1.5
313.15710	0.9
314.12997	0.9
314.16641	1.9
315.13535	3.9
325.15530	10.8
326.12958	1.1
326.16376	1.4
327.13620	1.4
327.17203	3.1
328.14526	1.2
328.18192	1.7
335.13980	1.6
336.14597	1.4
340.14529	0.9
341.11234	1.2
343.12982	1.3
356.18039	0.8
358.15698	1.0
387.20050	1.2
388.20401	1.4
389.21066	1.8
394.18024	1.3
395.18488	1.7
400.16745	2.2
401.20911	1.7
402.21976	2.7
403.22699	1.3
404.23450	2.2
409.20166	1.6
414.18332	1.6
419.18704	1.5
420.19418	0.9
430.21307	1.3
433.20810	1.3
434.21136	0.9
438.20490	1.0
446.17703	0.8
447.17575	1.5
482.23938	1.5
483.23807	1.4
490.23010	1.6
491.24020	2.6
493.22507	1.5
495.24020	1.0
497.25436	3.2
506.23499	1.3
507.24203	4.3
521.25299	2.4
524.24255	1.8
525.25110	7.0
535.23431	1.3
539.26337	1.3
540.27423	2.0
549.25256	3.9
550.23651	0.9
552.24316	1.2
553.24414	2.8
567.25952	4.1
568.26752	2.5
579.26056	2.0
595.25751	3.5
605.24481	0.9
609.27234	14.8
610.25958	1.1
611.28687	1.5
613.26862	1.6
623.25116	1.5
627.28186	35.0
628.28674	1.1
637.26611	6.9
655.27643	100.0
656.27979	2.8
687.30267	4.9
687.40533	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07078	0.5
91.05457	0.5
93.07051	0.6
118.23447	0.5
168.02448	0.4
204.95665	0.4
210.11522	0.5
221.10693	0.5
221.64275	0.4
223.12337	1.0
224.12984	0.5
225.10368	0.5
225.13869	1.0
237.13899	0.9
238.14713	1.3
239.15428	1.3
247.12398	0.5
261.13962	0.6
277.16980	0.4
289.16922	0.5
379.19122	1.1
381.20786	0.8
388.20050	0.4
391.18890	0.9
392.20007	0.5
393.20975	0.8
394.17947	0.5
406.18292	0.8
407.17880	0.7
407.22372	1.1
408.19122	0.7
409.20444	2.0
415.19330	0.5
419.18060	0.7
420.19278	1.2
421.20044	0.7
422.21188	1.1
423.21997	6.2
424.22177	0.8
433.20569	1.0
435.22357	2.5
436.22690	1.0
437.24008	3.6
438.24146	1.2
439.21094	0.9
447.22275	0.6
448.18713	1.4
449.19656	1.9
451.21423	1.3
452.22000	0.8
453.22946	0.8
462.20541	0.9
463.21588	1.6
464.21790	0.8
465.23331	0.7
473.23581	1.1
475.21909	2.2
477.18970	1.3
479.20197	0.6
479.25354	0.6
480.21530	1.3
481.25952	0.7
482.22806	0.6
491.19879	2.7
492.21527	3.1
493.21851	1.0
495.23419	0.7
497.25571	0.7
501.22888	1.3
503.21317	0.6
505.22168	0.6
506.23007	0.6
507.23758	1.8
509.26013	3.5
510.27203	0.7
511.27002	1.3
519.24292	2.1
521.21954	1.0
525.25647	2.7
531.23468	1.2
535.24274	2.1
536.23566	1.8
537.25079	5.6
538.22284	0.5
539.23077	0.8
547.23248	1.2
549.21558	0.7
553.24707	2.3
563.22815	2.0
564.23566	0.8
565.24683	8.4
566.25128	0.9
567.23895	0.7
577.24475	0.9
579.25708	1.2
580.23926	0.9
581.24213	4.2
591.22333	0.8
595.25513	1.7
596.25995	2.4
597.27307	4.0
599.28540	0.5
613.25598	0.6
623.25232	2.6
627.27625	0.7
637.26611	2.2
640.25806	1.1
641.26202	2.2
655.27655	100.0
656.27979	5.0
687.30286	38.6
688.30225	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07081	2.6
67.05506	2.4
69.83298	5.0
77.79696	1.7
79.05498	2.2
91.05487	2.6
95.08623	2.9
106.66499	1.9
137.88316	1.6
149.01299	1.9
166.81943	1.9
188.45108	1.6
214.28619	1.8
223.12518	2.9
224.12881	1.9
225.13965	2.8
229.14453	2.1
237.13815	2.6
238.14523	1.7
249.14133	2.0
251.15546	2.2
262.13513	2.2
274.13574	1.9
318.15994	2.8
351.15790	3.5
353.18149	2.9
362.15775	3.2
365.17831	3.0
366.18674	6.3
367.19547	4.1
376.17371	2.8
377.17743	5.8
378.18750	2.5
379.19232	5.4
380.20129	2.8
381.16580	2.2
381.20834	7.0
382.22116	2.9
387.16171	4.1
391.19730	4.2
393.16544	2.4
393.21024	4.8
405.17093	21.7
407.18839	7.9
408.19617	2.2
409.20517	6.8
410.21243	5.0
411.21857	5.1
420.19565	21.0
421.20078	8.6
422.21225	15.1
423.21909	5.5
432.19522	2.9
433.15985	3.9
433.20779	5.2
434.21603	2.8
437.19882	7.6
438.20566	3.2
440.22617	2.0
447.22415	3.9
448.18921	66.4
449.19580	11.7
450.21014	1.9
451.21298	2.3
453.23001	5.2
461.20062	3.0
465.18555	8.9
466.20065	3.4
467.24539	2.0
468.25336	28.0
469.25891	5.3
475.17892	12.3
476.18622	7.9
477.18875	4.8
478.20123	2.2
480.21588	75.8
481.22275	9.3
493.18042	1.7
493.22662	7.6
494.19077	3.4
496.24399	8.9
497.25681	9.6
498.26276	10.1
506.23386	2.6
507.20544	7.1
508.20621	11.4
511.27203	3.4
512.27539	2.0
521.21918	3.5
524.23999	5.0
525.24835	3.8
534.22321	9.6
535.23663	4.4
539.26459	4.0
540.28088	2.5
552.23761	2.3
553.24469	7.4
562.22577	2.8
563.22858	7.9
566.25305	8.0
567.25598	3.0
577.24536	3.0
585.26636	3.2
594.24762	100.0
595.25616	11.8
599.28778	2.3
609.27155	33.6
610.27460	2.4
612.25732	47.8
613.26648	19.0
623.24695	2.8
627.28180	13.5
637.26556	79.5
638.27332	2.5
655.27637	98.2
656.28351	3.8
687.30298	81.9
687.42358	4.2
688.30603	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	687.302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31017	0.8
68.92753	0.8
109.19753	0.8
117.62505	0.7
155.97189	0.9
180.92485	0.8
190.31924	0.8
200.14705	1.0
209.10826	1.5
221.10797	0.8
223.12318	1.0
224.86188	0.9
225.13889	1.1
229.62253	1.5
233.06808	1.0
237.13892	2.4
238.14583	1.1
239.15427	1.3
249.14104	1.2
251.15610	1.2
261.13815	0.9
275.15485	1.0
275.73575	0.9
289.15863	0.8
318.15939	1.3
341.18936	0.9
351.16525	1.3
353.17609	1.5
354.19702	1.1
365.17862	1.2
366.18900	1.2
377.16980	1.0
379.19113	1.4
380.20346	1.2
381.16971	1.7
381.21185	1.6
382.17987	1.3
393.16650	1.2
395.18600	1.7
396.19962	1.0
397.20212	1.0
404.20660	1.1
405.17300	2.4
406.17899	0.9
407.18329	1.3
409.20239	4.9
410.20999	3.4
411.21964	4.5
420.19583	2.8
421.20508	1.3
422.21054	2.3
423.22095	7.1
437.23398	3.9
438.24588	1.5
439.21497	1.4
447.22314	2.1
448.18924	8.8
451.21622	3.0
452.22534	1.5
453.23273	2.1
465.18546	1.4
465.23599	1.4
468.25433	4.4
475.22244	1.7
477.19415	1.7
480.20892	7.3
481.21725	1.3
483.23737	2.3
492.21765	2.4
493.18539	1.7
494.20566	1.0
496.24637	4.7
497.25916	6.1
498.26270	8.5
501.23300	1.1
507.24258	1.1
508.20514	1.5
509.25912	1.2
511.27637	1.7
512.27350	1.8
521.21509	1.6
523.23615	1.1
524.24396	2.8
525.24988	6.8
534.22528	1.9
536.24225	1.5
537.25525	2.2
539.26422	3.7
540.27319	2.4
552.23779	2.1
553.24811	2.6
563.23145	3.1
565.24274	4.8
566.25531	1.4
567.26294	4.6
569.24426	1.2
581.24323	1.6
584.26251	3.7
585.27411	4.3
594.24664	10.4
595.25409	2.4
596.26428	1.8
597.27332	4.0
599.28680	3.5
609.27869	1.7
612.25745	15.4
613.26105	4.4
625.27222	1.1
627.28210	20.4
637.26489	4.2
641.26501	1.6
655.27661	39.1
655.38556	2.0
656.27911	2.8
687.30237	100.0
688.30438	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	686.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.3
55.05267	1.2
55.05514	13.5
57.03439	12.4
57.07087	2.0
59.05011	4.1
61.02938	4.1
65.03946	3.0
65.42467	0.8
67.05509	100.0
68.05847	1.0
69.03425	2.3
69.06720	1.2
69.07072	8.9
71.04999	4.1
73.02901	1.2
79.05502	20.7
81.07059	40.0
83.08622	8.3
85.02914	4.1
85.06546	1.2
91.03938	2.3
91.05485	14.1
93.06488	1.4
93.07051	25.4
93.71069	0.8
95.04956	1.4
95.08617	23.8
97.02897	3.3
97.06538	1.4
97.10160	1.5
98.21535	1.8
99.04413	1.0
99.15159	0.8
105.07029	7.7
107.08594	14.3
109.06512	1.1
109.10166	78.9
110.10491	1.4
111.08092	3.5
117.06998	2.4
119.08591	11.9
121.10152	13.5
123.11752	4.0
131.07730	0.8
131.08540	4.2
133.10162	4.9
135.11722	7.0
137.09589	4.3
137.13275	1.3
145.10132	3.5
147.11700	2.1
149.13225	3.9
155.10677	10.9
159.11702	2.7
161.13266	3.4
163.14812	2.4
173.11749	17.1
173.13229	3.3
175.14766	1.2
187.14873	1.6
227.12819	4.3
229.14368	99.6
229.77872	0.9
230.14682	1.7
232.07590	0.9
243.21162	6.2
261.22165	19.2
312.68484	0.9
317.24796	3.7
335.25824	72.3
336.26248	1.6
379.29895	1.4
397.31128	1.9
415.32251	1.6
471.34824	1.4
489.35773	41.2
490.36081	2.1
507.36771	3.0
542.78870	0.9
655.27197	2.3
687.29388	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53904	0.8
50.60239	0.8
53.03942	2.2
55.05274	1.1
55.05513	12.6
57.03442	12.9
57.07073	2.5
57.18784	0.7
59.05005	3.3
61.02922	3.7
65.03938	2.1
67.05508	100.0
68.05842	0.8
69.03436	1.5
69.07069	7.4
70.07171	1.7
70.07562	2.5
71.04991	4.0
73.02921	1.1
79.05499	21.0
81.07059	36.1
83.08622	8.8
85.02908	4.2
85.06554	3.4
91.05482	15.4
93.07048	28.4
95.04969	2.1
95.08613	26.3
97.02914	2.5
97.06501	1.2
97.10154	1.6
99.08073	1.4
105.07037	6.7
107.08595	13.6
109.06551	0.9
109.10163	74.5
111.08092	3.4
117.07037	3.2
119.08580	11.6
121.09437	1.1
121.10164	10.6
123.11693	2.6
131.08566	4.8
133.10114	5.0
135.11726	6.5
137.09621	3.3
137.13255	1.1
143.08633	1.0
145.10141	4.7
147.11682	3.3
149.13261	4.7
155.10689	9.0
159.11711	4.0
161.13275	2.9
163.14836	2.5
165.12749	0.9
173.11778	16.1
173.13272	3.3
177.16388	1.0
187.14803	2.0
189.11237	1.1
227.12793	3.6
229.14363	85.3
230.14691	1.6
243.21106	5.6
253.05122	0.8
259.20651	0.9
261.22177	17.4
261.24915	1.7
268.48230	1.1
317.24774	2.7
335.25818	78.2
336.25955	1.0
339.93518	0.9
397.30969	1.3
471.34512	1.0
489.35770	58.3
490.36212	1.5
507.36725	3.8
534.00732	0.9
687.29767	1.4
694.23492	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87170	3.0
51.77519	2.5
57.07080	4.9
58.40637	2.6
67.05498	5.3
71.08651	3.5
71.48768	3.9
81.07074	6.7
88.15054	2.5
95.08625	7.2
96.99585	3.8
109.10222	4.5
119.08590	3.6
135.01093	24.6
135.41315	2.9
136.49458	2.7
199.85934	2.8
237.13817	2.8
331.26093	3.6
366.20364	2.6
373.24036	4.0
379.19400	4.1
391.19559	3.3
419.18771	4.1
421.20346	5.3
433.20303	4.0
435.22195	6.0
447.22189	5.0
448.22931	3.2
449.24005	13.2
465.22864	4.7
475.21478	6.1
477.19162	4.2
479.25079	3.6
489.22906	4.7
507.23978	4.7
509.21811	4.5
521.25586	11.4
522.26300	9.6
523.20166	5.6
523.27301	15.0
537.21381	5.5
549.25140	6.6
550.46289	2.7
553.28351	5.2
563.39496	3.1
567.25824	3.0
573.48358	3.6
581.20361	4.4
581.27808	28.5
593.24304	5.6
596.22589	20.1
607.25696	2.9
609.26953	5.3
611.24414	12.0
613.30298	54.0
614.30865	3.3
635.24207	3.7
653.25854	30.7
685.28735	100.0
685.46600	8.4
686.28589	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	685.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.2
57.03423	0.9
57.73101	0.8
60.05590	0.9
61.56646	0.9
65.29648	0.8
67.05507	1.3
71.48981	1.1
73.04778	1.0
79.05546	0.9
81.07093	1.5
93.07027	1.3
95.08609	1.8
96.93507	0.9
106.91175	0.8
232.32130	0.9
252.29309	0.9
255.99275	0.9
391.19434	1.3
405.17114	1.3
407.18408	1.0
419.18082	1.4
420.19751	1.4
421.20255	1.2
432.19342	1.3
433.20392	2.5
434.21164	1.3
435.22064	2.7
436.22824	1.1
445.20602	1.3
447.22107	3.4
448.22659	1.6
449.24060	6.2
450.20370	1.4
451.21799	1.6
461.24020	1.1
463.25070	3.4
466.19754	1.1
475.21307	3.5
477.23038	1.5
479.25153	1.2
481.22531	1.2
489.23029	1.8
491.23578	0.9
495.24344	1.9
496.24567	1.2
501.23105	1.0
503.21484	1.1
505.22293	1.3
507.24512	5.4
508.24954	3.3
509.25726	1.9
511.27356	1.1
517.22418	1.4
523.23395	3.7
530.19214	1.4
534.22400	1.6
535.23560	5.7
536.23035	1.0
539.26611	4.9
563.23322	1.5
567.26202	2.2
580.22870	1.9
593.24158	1.0
595.25623	17.7
611.25446	1.3
625.26996	1.3
626.27319	6.2
635.24939	4.1
643.21619	1.1
653.25928	6.1
685.28711	100.0
685.46820	4.0
686.29071	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	685.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42654	0.8
70.95243	1.3
83.95061	0.7
140.61247	0.6
141.67484	0.7
141.71033	0.7
142.35741	0.8
174.09171	1.5
221.10768	1.0
223.12344	1.2
225.13931	1.4
249.13931	1.2
260.12729	0.7
261.13788	1.4
283.77609	0.8
289.15820	1.1
314.16537	1.2
323.14966	0.9
337.15314	1.4
340.18005	1.3
350.16623	1.0
351.16483	1.5
352.17645	1.5
353.17923	1.0
354.19455	0.9
363.16238	2.2
364.17279	0.7
365.17798	2.5
366.18921	2.5
367.19446	2.7
377.17978	2.1
378.18637	1.3
379.19360	3.3
380.20410	1.0
381.16861	1.0
381.20914	7.4
382.21552	1.9
389.18024	0.7
390.14655	1.1
391.19492	1.2
392.20685	0.9
393.17300	2.3
394.17505	1.1
395.18689	1.8
404.16528	0.9
405.17163	1.9
406.17798	1.6
407.18787	2.2
408.19598	3.0
409.20218	4.6
410.17462	0.8
420.19492	1.8
421.20355	2.4
422.21313	2.1
423.22305	4.4
424.23148	3.6
425.19705	8.6
426.20663	1.0
433.20886	1.3
435.22318	2.0
436.22440	2.0
437.19727	2.5
437.24310	1.1
438.20508	3.1
439.21408	4.8
440.22400	1.1
447.22467	0.9
448.18039	1.3
451.21481	1.3
453.22955	2.1
455.20856	0.8
462.20221	3.7
463.21115	2.5
464.18488	1.2
465.19116	4.2
466.20087	1.2
467.24756	1.1
468.25089	0.9
469.26486	0.8
477.19019	1.3
479.21124	0.9
480.21677	2.8
481.22672	1.7
483.20642	3.1
485.25604	0.9
490.20145	1.9
491.16193	1.6
493.22699	1.7
494.23212	1.6
495.24445	3.8
496.22580	2.8
497.21951	2.4
498.23126	1.2
501.15219	0.9
509.25259	2.4
510.25760	1.7
511.26425	0.9
512.24713	1.4
513.24933	2.2
518.23041	0.9
522.22467	2.5
525.25287	1.1
527.19751	0.9
527.26605	15.1
535.23944	2.0
538.25012	1.3
541.20880	1.4
551.22882	1.6
552.23700	2.2
555.22290	11.8
556.22992	1.4
569.23553	2.2
577.24512	4.3
578.21088	2.0
583.25732	1.4
598.28052	1.3
599.28625	3.3
609.26935	16.7
610.24048	0.9
614.24048	1.2
625.26605	1.0
626.26965	2.6
627.23669	0.9
641.29266	4.5
642.26605	18.6
643.27618	89.3
644.27960	3.1
685.28625	100.0
686.28839	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97729	0.1
55.01652	0.1
55.01877	0.4
68.99802	0.2
69.03416	0.1
70.06606	0.1
70.77499	0.2
71.04978	0.4
81.03387	0.1
82.47304	0.1
83.92145	0.1
85.02913	0.3
88.99805	0.1
95.04967	0.2
109.02872	0.1
121.02840	0.3
123.00761	0.7
123.04482	0.2
129.93367	0.1
135.04472	0.1
137.02341	4.0
137.03354	0.2
141.01825	1.8
143.04897	0.1
149.02386	0.1
151.03935	0.2
157.06499	0.1
159.04402	0.1
159.22752	0.1
161.05913	0.1
163.03902	1.1
165.01849	2.6
171.04449	0.1
183.02896	1.0
185.05969	0.3
187.03920	0.3
189.05449	0.2
197.05928	0.1
199.03934	0.2
213.05467	0.9
217.04953	0.4
231.06578	0.4
235.08203	0.1
236.89687	0.1
241.04979	1.4
259.05988	0.7
269.04358	0.3
287.05493	0.6
291.92416	0.1
306.61832	0.1
315.04974	100.0
316.05350	2.0
317.06610	0.2
401.54105	0.1
425.08380	0.1
428.66928	0.1
477.10315	12.6
478.10489	0.4
623.15967	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.2
55.01877	0.6
55.05497	1.0
57.03437	0.7
65.03943	0.9
66.04716	0.5
66.91306	0.4
67.05511	9.9
69.03433	3.3
69.07058	0.8
69.84093	1.8
70.06591	1.0
71.04982	0.7
76.28030	0.4
79.05507	2.6
81.02988	0.6
81.03425	7.1
81.07064	5.5
83.04977	0.5
85.02918	1.9
86.09659	0.5
91.05463	4.5
92.05784	0.5
93.03395	0.5
93.07040	1.5
94.04190	2.5
95.04977	2.3
95.08612	3.7
96.43803	0.4
97.02904	3.1
98.20793	0.4
99.04451	1.3
99.08072	0.5
103.05474	1.7
105.07037	5.0
107.04940	1.2
107.08624	2.2
109.02898	4.4
109.06520	2.9
109.10166	19.4
111.04404	0.5
115.05471	3.2
117.07023	1.4
119.04955	0.9
119.08575	3.7
120.08131	0.6
121.06575	0.6
121.70686	0.4
122.03669	7.4
123.04501	0.4
123.08052	0.5
125.06007	1.0
125.09616	0.9
127.03942	2.5
128.06242	1.8
129.07007	2.0
131.04965	1.6
131.08585	1.0
132.05685	2.1
133.06505	3.3
137.05991	100.0
137.09621	36.5
138.06320	0.9
143.04959	0.5
143.06041	0.5
144.05746	0.8
145.06509	1.1
146.03656	1.8
147.04457	0.9
147.08084	3.7
149.06013	1.7
149.09644	0.5
150.09195	0.4
151.03923	0.6
151.07597	0.6
155.04958	1.2
155.10675	2.9
156.05663	0.4
157.06560	0.7
159.08060	2.9
160.05203	1.8
161.04660	0.7
161.05992	14.1
161.09546	0.7
163.07541	1.6
165.09125	34.8
166.09439	0.4
167.07066	1.4
168.70665	0.5
172.05219	1.6
175.07558	25.9
179.07031	1.0
183.10155	2.4
184.05173	0.7
187.07552	9.4
188.54285	0.4
189.07011	0.8
189.09068	0.9
190.07755	2.9
191.06944	0.7
191.08577	6.9
192.09279	0.7
199.07585	5.6
201.11301	2.4
202.07768	2.5
203.08582	5.3
205.06595	0.6
207.08081	0.7
208.08875	0.9
217.08626	1.0
218.07256	2.0
219.08075	12.1
220.08800	1.8
230.07312	0.5
231.08052	6.2
232.08833	1.7
233.09721	0.8
235.07727	1.2
235.11226	0.5
236.08394	2.6
237.09085	0.5
246.06778	0.5
247.07559	5.7
248.08408	3.0
249.09096	0.6
250.09892	0.5
251.10684	15.1
253.08687	0.8
259.07529	3.8
260.08340	1.1
261.09216	1.2
263.10724	2.7
264.07874	1.6
265.08533	0.9
275.06982	0.6
276.07870	1.9
277.08640	2.0
279.10159	11.7
279.13092	0.7
280.10880	1.2
281.08057	1.5
289.08569	0.4
291.10120	8.8
292.10846	1.4
293.08179	1.0
295.13339	0.5
296.10510	1.6
308.10471	1.2
309.13510	2.7
311.12796	33.9
312.13232	0.8
316.05484	0.6
323.12814	13.6
324.13226	0.7
327.14337	3.5
335.12418	0.7
341.14023	1.5
349.17584	0.6
419.14822	0.6
419.27408	0.5
421.19437	0.9
478.19733	0.5
508.20694	0.8
509.21335	4.6
510.21921	4.3
652.13873	0.5
685.34619	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61005	1.3
58.33720	1.4
70.06594	1.9
71.48206	2.1
73.27881	1.3
78.07197	1.3
79.05484	1.6
81.07053	2.2
143.08545	1.8
162.98398	1.2
243.78526	1.6
269.10776	2.6
295.51270	1.7
343.62579	1.7
469.32779	1.7
681.32550	100.0
682.33411	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	684.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.5
68.99784	0.2
69.03418	0.1
69.14586	0.7
70.06549	0.4
71.04951	0.3
72.08130	0.1
75.74757	0.1
77.80708	0.1
84.08115	0.1
85.02915	0.5
86.09634	0.1
87.21945	0.1
95.04929	0.2
97.02856	0.1
98.20804	0.2
109.02843	0.2
115.67027	0.1
120.99818	0.1
121.02834	0.2
123.00768	0.6
123.04433	0.1
127.03878	0.1
131.04898	0.1
135.04398	0.1
137.02351	4.0
137.03412	0.3
139.03839	0.1
141.01839	1.9
147.04404	0.1
149.02342	0.2
149.06007	0.1
151.03893	0.2
157.06503	0.1
161.05928	0.1
163.02757	0.1
163.03915	1.4
165.01843	2.5
171.04369	0.2
173.05940	0.1
175.03911	0.1
175.07513	0.1
176.26201	0.1
177.01801	0.1
183.02888	1.2
185.05956	0.3
187.03914	0.5
189.05367	0.1
196.10822	0.1
199.03743	0.1
213.05453	0.8
217.04913	0.7
223.03952	0.1
227.03430	0.1
231.06628	0.2
241.04977	1.2
259.05905	0.6
269.04465	0.3
287.05478	0.7
315.04980	100.0
316.05286	2.2
317.06644	0.1
360.10669	0.1
425.08896	0.1
461.10797	0.1
477.10315	12.2
478.10596	0.3
587.14087	0.1
623.16052	0.9
658.24084	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	680.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77201	9.5
55.04911	8.5
55.05506	8.5
57.07082	44.3
64.26078	8.3
69.17647	100.0
99.67292	8.2
100.11262	9.5
118.74979	9.6
141.79808	9.3
161.17358	10.2
194.18268	10.2
231.02629	9.6
251.04724	16.1
327.07794	50.8
383.14117	45.2
439.20459	54.7
495.26547	25.3
551.32678	30.4
607.38708	45.5
663.45245	28.0
680.51385	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	681.166
Annotation	Kaempferol 3-(6G-malonylneohesperidoside)
Peak:m/z	Relative Intensity
55.01867	0.1
57.03435	0.5
60.73145	0.1
67.01871	0.5
67.05517	0.2
68.99804	0.4
69.03430	0.6
70.06595	0.6
70.74134	0.3
71.05003	1.6
72.08128	0.3
73.02924	0.1
79.05481	0.2
81.03428	0.4
81.55167	0.1
83.04984	0.4
84.08169	0.2
85.02438	0.2
85.02914	2.8
86.09696	0.3
87.00848	0.2
87.05628	0.1
89.03907	0.2
91.05527	0.2
93.07009	0.2
95.04975	0.2
97.02895	0.5
99.04467	0.3
103.03975	0.2
105.01878	0.3
105.07027	0.3
107.04962	0.6
108.05293	0.1
108.08062	0.1
109.02901	0.7
109.03571	0.1
111.04449	0.5
115.05449	0.3
117.03409	0.3
119.08593	0.2
120.08128	0.2
121.02901	0.1
121.10222	0.2
125.09673	0.2
127.03942	1.1
129.01869	0.3
129.05476	0.6
131.04913	0.3
132.61467	0.1
135.04425	1.9
136.07579	0.4
137.02336	0.6
137.05978	0.2
143.04944	0.3
145.04973	0.3
147.02872	0.1
147.04416	0.1
147.06587	0.2
149.05969	0.2
150.57567	0.1
151.03914	0.1
153.01843	5.0
159.02966	0.2
159.04372	0.2
161.02333	0.5
161.06013	0.3
161.75056	0.1
163.02600	0.2
163.03931	2.2
164.04286	0.9
171.02843	0.3
171.04396	0.2
173.13228	0.1
179.03470	0.2
183.11690	0.1
185.05995	0.1
187.03922	0.9
188.04326	0.6
199.04004	0.2
205.04985	1.0
206.05339	0.5
213.05348	0.2
219.06691	0.1
231.04958	0.3
241.04999	0.5
248.12836	0.3
250.89362	0.1
263.10223	0.2
269.04382	0.4
271.06061	0.2
286.04916	0.1
287.05518	100.0
288.05832	1.8
296.02740	0.1
299.05725	0.2
323.12234	0.3
329.06445	0.3
364.48672	0.2
387.10638	0.1
436.67340	0.2
449.11508	0.1
535.10828	0.9
595.16449	0.3
637.34332	0.3
681.16351	1.2
681.33307	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51166	3.9
52.65131	3.8
55.05518	6.7
57.03429	5.9
58.75437	3.4
61.02933	23.5
67.05511	53.7
69.07062	14.5
70.06606	4.4
71.74068	5.2
73.02889	4.2
79.05495	37.6
81.07065	61.4
82.16501	3.9
83.04974	4.7
83.08642	5.1
85.02912	36.1
85.06583	3.5
89.80070	3.6
91.03968	22.0
91.05511	21.3
93.07056	58.2
95.08611	58.2
97.02914	23.4
99.04462	4.4
105.07030	22.9
107.08603	40.6
109.10170	31.3
117.07027	13.3
119.08596	14.8
121.10160	40.3
123.11728	12.1
127.03934	12.3
131.08601	21.3
133.10162	20.8
135.11745	32.1
145.04974	17.0
145.10112	19.1
147.11690	18.4
147.75967	4.1
149.13295	27.5
151.11217	4.3
159.11665	22.0
161.13281	7.0
163.06023	24.8
165.12785	4.3
173.13260	12.0
187.14841	6.4
221.67184	4.0
229.19527	45.3
247.20605	100.0
282.96564	3.6
316.83615	4.3
321.24426	19.1
339.25262	48.2
378.78900	4.4
388.38293	4.5
593.48792	4.6
595.66150	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	680.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.6
54.03511	0.4
54.40416	0.4
55.01881	0.7
62.68935	0.4
63.02367	0.4
64.69279	0.4
68.99788	0.5
69.03432	0.6
70.06591	3.7
70.27505	1.3
72.08151	1.5
72.18120	0.4
79.05487	1.5
82.26392	0.4
84.04499	0.4
84.08147	0.8
85.02904	1.9
86.09718	1.2
89.03914	4.5
91.05489	0.9
92.49538	0.4
97.02884	0.5
98.21446	0.4
102.17348	0.4
107.04964	4.2
115.05463	12.5
117.03390	5.9
118.06530	0.3
123.04412	1.5
129.10216	0.6
131.04941	12.5
133.06509	0.6
135.04419	13.7
136.07640	0.5
136.54904	0.3
137.02365	2.8
141.01773	0.5
143.04935	9.8
145.02853	10.2
147.04424	0.4
159.04460	3.3
161.05994	0.9
163.03911	100.0
164.04182	1.5
165.01837	1.8
169.07040	0.4
183.02869	0.5
187.03917	66.9
188.04236	0.6
191.03416	1.1
199.03882	0.5
205.04973	3.2
211.03877	3.3
217.04970	0.5
219.08087	0.4
227.03413	0.4
247.07393	0.5
261.09488	0.4
269.08011	0.5
275.07074	0.8
283.05948	0.4
299.05267	0.4
315.04999	30.0
316.05368	5.5
317.05646	5.1
321.07489	0.8
349.07190	3.9
358.99405	0.4
367.08151	2.0
483.09268	26.6
484.09616	0.7
501.10281	2.1
563.10181	0.8
565.10388	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.6
57.07058	1.7
65.03931	1.1
67.05497	0.5
68.99782	1.6
69.07053	0.5
70.06574	0.8
71.48796	0.9
72.08166	0.5
77.99297	0.4
78.95797	0.4
79.05473	1.9
81.07046	0.7
81.22779	0.4
83.04988	5.3
86.06171	0.4
87.44382	0.5
91.05463	2.8
93.07027	0.8
94.66933	0.4
97.02850	0.4
103.05457	3.3
107.04961	0.8
119.04935	2.3
119.08617	0.4
145.10010	0.6
147.04472	2.8
169.09933	0.4
175.03923	53.4
176.04652	3.5
187.03854	0.6
231.10178	100.0
232.10553	1.7
293.95453	0.5
337.02380	5.3
393.08606	7.9
449.15057	1.3
543.96423	0.6
549.49365	0.4
650.54602	0.5
679.25519	0.7
679.33148	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.9
55.01867	1.2
55.05513	11.5
55.44759	1.0
57.03439	7.4
57.07067	2.3
58.99277	0.9
61.02929	22.7
65.03946	2.9
65.44213	1.0
66.42774	1.1
67.05508	75.0
69.03423	2.9
69.07075	12.4
71.04990	2.9
71.08627	2.5
73.02926	11.0
77.03913	1.3
79.05495	47.7
81.03419	1.9
81.07059	83.9
81.66083	0.9
83.08628	8.5
85.02912	27.4
85.06539	2.2
85.10163	1.0
91.03963	24.3
91.05486	28.9
93.07049	62.0
95.04980	3.3
95.08614	63.8
97.02904	13.5
97.06525	3.4
97.10175	2.9
98.20789	2.4
99.04406	2.5
99.08080	2.4
105.07043	19.6
107.08598	36.5
109.06509	2.2
109.10165	32.4
111.08087	2.5
111.11659	1.3
113.09687	1.2
117.07044	9.6
119.06108	1.5
119.08592	16.6
121.10152	36.4
123.08069	1.6
123.11716	19.4
125.09617	1.7
127.03931	9.7
131.08568	22.0
133.10133	17.0
135.10703	2.0
135.11694	27.5
137.09586	1.4
137.13286	6.8
139.11142	2.4
145.04973	10.8
145.10117	16.0
147.11700	13.0
148.21735	0.9
149.13269	21.6
151.11176	1.8
151.14835	1.8
156.71054	1.1
159.11682	14.8
161.13261	12.5
163.06042	15.5
163.14838	16.8
165.12721	2.6
173.13275	16.3
175.14809	3.7
177.12804	1.7
177.16441	6.2
179.14337	2.6
185.13347	1.4
187.14798	12.9
189.16545	1.1
191.14261	1.9
201.16350	4.3
205.15814	2.1
215.18082	1.4
219.17442	1.3
233.22617	3.5
243.21112	32.5
261.22156	100.0
262.22415	1.8
263.23938	1.4
279.23105	2.3
335.25726	16.3
353.26913	29.0
461.28802	1.3
497.31305	1.4
558.12805	1.2
617.22156	2.1
645.21930	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	677.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.3
55.01854	1.7
55.05515	14.6
57.03433	9.8
57.07065	5.3
61.02929	24.3
65.03942	3.0
67.05509	85.3
69.03438	2.3
69.07076	14.9
69.28424	3.0
69.28828	11.8
71.05003	4.2
73.02922	7.0
75.04501	2.8
79.05068	3.7
79.05499	44.1
81.07064	100.0
82.75280	1.6
83.08617	9.4
85.02912	20.0
91.03967	21.0
91.05492	26.0
93.07056	60.9
95.04983	3.5
95.08615	77.5
97.02911	9.7
97.06544	3.1
97.10162	5.0
99.08098	3.7
103.55399	1.9
105.07044	19.0
107.08603	33.5
109.06517	2.2
109.10166	38.1
113.09708	2.3
117.07020	8.8
119.08590	16.1
121.10157	36.1
123.08022	2.1
123.11720	18.7
124.87978	2.2
125.09674	1.7
127.03911	7.0
131.08568	20.7
133.10133	16.3
135.11696	28.9
137.13246	6.4
145.04967	9.6
145.10139	16.5
147.11697	13.4
149.13268	25.6
151.14908	2.3
153.12769	2.1
159.11685	16.3
161.13283	14.2
163.06021	12.3
163.11153	2.4
163.14824	14.6
165.12854	2.3
173.13246	16.6
175.14848	5.5
177.16412	6.1
187.14777	9.8
191.14235	2.2
201.16388	3.8
205.15843	2.2
209.32919	1.9
219.17535	2.3
233.22655	4.4
243.21080	36.8
243.23381	3.2
261.22159	96.0
262.22604	2.2
277.31937	1.7
279.23239	6.2
335.25851	37.9
353.26880	31.2
431.12222	2.2
497.31149	5.7
538.93488	1.9
677.35962	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	677.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99340	1.2
65.03924	2.8
67.05489	4.5
70.06580	1.9
76.12877	1.1
79.05477	2.5
83.66958	1.2
84.75693	1.3
86.09724	1.4
91.05477	3.7
93.05770	3.4
93.07037	2.4
94.06553	2.0
95.04946	1.4
98.92545	1.2
106.04182	3.0
108.04478	2.7
108.08127	67.8
120.08083	2.4
121.06517	1.4
122.06026	1.7
124.07597	2.1
133.86594	1.2
134.09653	1.9
136.07588	100.0
138.05502	3.8
138.09129	3.1
140.07076	5.6
146.06001	5.5
148.07585	2.4
149.05969	4.1
152.07042	3.3
153.09087	1.4
154.08574	2.1
160.03932	1.4
163.07542	1.6
164.07066	15.6
166.08601	2.7
168.06493	2.5
174.05530	3.3
176.07014	1.3
177.05528	2.1
181.08614	1.5
190.08604	4.5
193.07503	1.6
196.11290	1.3
199.08707	3.4
201.33798	1.3
204.06514	1.9
209.08142	9.1
210.08383	4.2
211.08640	8.3
212.09386	1.9
213.10214	3.4
218.08043	3.4
225.06572	1.6
225.10197	6.3
227.08145	4.8
227.11700	3.1
228.08788	2.1
237.10271	1.5
239.08188	1.9
239.11792	8.0
241.09741	7.1
241.13274	1.9
248.59627	1.3
252.08833	2.4
253.09781	8.8
254.10568	3.4
255.07524	1.9
255.11316	5.0
257.12756	4.1
259.10757	1.6
265.09732	2.3
267.08585	1.8
267.11279	13.3
269.12781	2.7
273.12292	2.0
275.14029	3.7
281.09152	3.6
283.10767	5.0
285.08932	1.3
285.12302	5.2
295.10782	9.5
297.12311	12.3
299.10233	6.5
299.13699	1.9
300.10941	3.4
301.11679	2.5
303.13437	2.9
311.10187	3.6
313.11823	49.8
314.12347	3.0
315.13248	3.3
323.10211	8.5
328.10455	3.9
329.11337	1.9
332.13538	1.9
341.11328	43.4
342.11926	4.4
346.11914	2.0
353.10464	3.4
355.12793	3.1
359.12372	2.6
360.13168	3.5
362.14981	2.0
373.13974	55.2
374.14465	3.4
380.16031	1.6
383.45093	1.4
406.18045	1.8
409.13785	3.3
434.17111	2.4
436.18579	2.7
437.19397	1.7
452.18015	5.4
453.19119	1.8
462.16431	2.6
476.18024	5.8
480.17691	14.2
481.18100	6.7
482.19284	23.7
494.18933	1.8
495.19870	3.8
512.20349	4.2
513.20886	2.7
514.22009	9.3
573.25732	1.6
583.25262	2.0
588.90094	1.5
599.24908	4.0
601.26611	13.6
603.24353	4.7
617.26056	24.2
627.24506	12.4
628.22900	2.4
645.25641	42.1
648.05292	1.8
659.27399	11.3
677.17932	2.4
677.28259	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	677.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.5
67.05482	2.4
68.33838	2.5
69.03436	5.7
69.39850	8.7
69.40276	10.6
70.06599	5.6
81.07053	9.4
84.08160	3.0
85.02895	2.6
91.05477	3.3
93.07050	7.3
95.08615	3.7
99.16462	2.4
105.07027	6.8
107.08583	3.6
111.08099	4.9
119.08601	4.6
120.08138	5.4
121.10158	3.3
122.02689	3.6
125.09613	6.2
133.10114	4.0
143.08524	2.8
148.07501	3.4
201.76996	2.8
241.09825	2.5
246.60753	2.4
287.13895	3.3
296.36469	2.9
400.15698	4.5
426.17126	4.1
428.14313	4.3
429.15430	3.8
439.17615	3.3
441.15027	4.5
441.20020	4.4
443.17154	7.4
444.17685	4.2
453.15692	4.0
455.21567	4.9
456.18536	4.7
457.18942	12.5
458.19812	5.4
465.15567	4.2
467.16821	2.7
468.18405	5.5
469.18915	5.4
470.11984	3.0
471.20032	13.7
480.18079	3.1
481.19556	5.0
482.15808	7.7
484.13959	10.7
485.18063	6.6
495.20737	12.8
496.21008	5.3
497.18753	36.2
498.15317	4.4
499.16507	8.2
506.19385	4.6
508.17563	5.4
509.18573	6.0
511.16418	11.5
512.16101	15.6
513.17444	24.7
514.21722	9.1
521.17944	4.8
522.17828	3.0
523.20239	23.1
524.17529	3.2
525.17725	35.6
526.18439	3.8
527.19537	16.3
530.21594	11.8
539.18842	10.6
555.18774	27.8
556.18890	3.9
567.19281	6.5
572.18634	4.4
573.19568	6.2
585.20007	4.6
599.21521	25.5
601.23016	39.6
617.22412	59.2
627.20886	100.0
628.20862	3.6
645.21948	46.6
663.23029	5.9
677.24237	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	677.2457
Annotation	Granatumin F
Peak:m/z	Relative Intensity
63.02110	1.3
83.06762	1.5
84.74829	1.4
89.06007	2.4
98.20699	2.8
131.71996	1.8
133.08583	2.2
165.11818	1.5
212.01515	1.5
216.38347	1.5
400.15726	1.9
419.18460	1.4
423.15286	2.0
426.17010	3.8
428.14905	3.1
429.15829	3.0
430.16605	2.2
431.16928	2.1
437.16074	1.8
439.17770	2.6
440.19009	3.1
441.20206	2.2
442.16229	3.3
443.17166	5.5
444.18079	2.1
453.15390	1.9
455.13672	1.9
455.21530	1.9
456.17941	5.3
457.18799	5.7
458.19748	4.2
465.15759	2.9
466.16599	2.6
467.16742	1.6
469.14658	2.0
470.16324	2.1
471.21011	9.3
480.18042	3.1
481.18887	1.8
482.16025	3.3
483.12750	3.3
484.14035	8.4
485.18973	4.4
494.15961	4.8
495.20117	6.4
496.20877	2.1
497.18600	24.3
498.15689	6.5
499.19839	2.3
502.18817	4.3
506.16754	1.9
507.16821	3.3
508.17575	4.5
509.18298	2.8
511.16336	5.6
512.17102	5.5
513.17780	25.0
514.22693	2.7
515.19336	2.2
521.18170	5.9
522.19116	5.8
523.20770	13.4
525.17932	17.7
526.18597	3.5
527.19458	5.4
529.21161	1.6
530.21637	12.3
535.16302	2.5
538.18317	2.3
539.19006	5.3
541.21149	2.6
542.17896	1.5
549.17584	3.0
550.18683	2.0
551.19336	21.1
552.20105	1.6
553.17200	2.4
555.18713	10.0
567.18921	4.5
568.19531	6.1
572.19275	7.0
583.22028	13.0
585.20221	2.1
586.20819	2.4
595.18451	15.0
599.21381	7.6
601.23413	2.8
609.19745	3.4
613.19501	2.8
617.22498	27.6
618.23138	2.4
627.20874	54.1
628.21448	3.5
631.24402	2.6
634.22546	2.1
635.23615	3.2
645.21954	55.2
646.22144	2.8
659.23560	11.4
677.24548	100.0
678.24188	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	676.296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.4
55.01869	1.3
57.03448	0.5
61.02935	0.7
65.03942	4.1
67.05499	0.9
69.07082	0.7
69.33438	4.8
70.06596	4.7
72.08143	1.1
74.06056	0.6
75.04487	3.4
78.04726	3.1
79.05480	2.2
81.03405	1.1
81.07059	0.6
84.04511	0.7
84.08144	1.2
85.02913	3.5
86.09700	1.9
89.03912	1.0
89.06011	0.7
91.05487	15.6
93.03413	10.1
93.07053	5.8
95.04973	5.8
97.06541	3.5
98.20802	1.2
102.77653	0.5
103.05471	6.6
105.04543	1.0
105.07036	1.3
106.04181	30.4
107.04999	2.7
109.02886	0.6
109.06518	1.6
110.07148	0.5
111.04465	0.7
117.03371	0.9
118.04188	0.8
119.04981	2.7
120.08119	0.8
121.06515	31.5
122.07319	0.7
123.04447	1.0
123.08058	0.8
124.05247	0.6
125.05996	8.6
127.03916	0.8
129.10236	0.7
131.04893	1.9
132.05714	0.7
133.02861	1.2
133.06494	0.8
134.03642	3.8
135.04437	1.7
135.08054	1.3
136.03911	1.8
136.05133	0.8
136.07578	1.5
137.06009	5.5
138.06790	1.5
139.07567	2.9
145.02834	1.6
147.04410	1.5
148.05191	2.6
149.05992	47.0
151.03918	0.9
151.07564	3.9
153.05460	1.9
153.09111	11.9
153.10350	0.7
154.05066	0.7
154.06229	0.7
161.05959	1.3
163.07584	2.5
165.05426	1.1
166.06233	0.7
167.07069	5.8
175.03979	0.6
175.07539	0.6
176.07030	0.6
177.05486	24.7
179.07037	1.9
179.10643	0.6
181.08609	18.6
182.09354	1.5
191.06999	2.8
193.08609	0.8
207.06529	2.1
209.08104	100.0
210.08691	2.7
236.10504	1.3
249.11401	3.6
249.19502	0.6
346.77591	0.6
387.14413	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	675.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
60.06804	0.9
69.03423	1.0
70.06600	5.1
72.08148	2.4
79.05489	3.8
81.07044	1.4
82.06583	1.2
84.08138	2.9
86.09685	1.5
89.03914	1.0
91.05486	2.4
93.07009	1.0
94.06583	10.8
95.04931	1.1
98.20748	1.8
104.91870	1.1
106.06573	9.7
108.04512	1.7
108.08115	2.7
116.04954	4.0
118.06565	2.3
120.04474	4.9
120.08147	1.3
122.06047	9.0
128.07092	1.4
131.04958	1.9
133.10158	1.0
134.06027	20.7
136.07568	7.4
137.05992	6.7
144.04433	5.2
146.06012	9.4
148.07564	1.2
149.06004	1.4
150.05525	2.4
152.07059	1.5
154.41492	0.9
159.11632	1.3
160.03941	3.3
160.07600	1.7
161.05972	1.0
162.05507	3.9
164.07066	9.8
168.08046	1.3
170.08360	1.2
172.03958	20.2
173.04608	1.0
174.05516	5.3
176.07074	3.7
185.06937	1.1
185.10738	2.2
186.09172	1.2
187.12360	1.1
188.06914	1.1
190.05005	15.3
196.07806	1.0
197.10675	1.5
198.07808	1.5
199.08798	1.5
201.10205	1.8
202.05064	1.1
203.03369	2.5
204.06584	22.8
204.08490	1.4
208.09903	1.0
209.10696	1.3
210.32352	1.0
211.08665	3.0
211.12277	1.4
212.09398	2.0
213.10216	7.9
214.10995	2.2
215.11847	6.7
223.08749	2.2
224.09476	3.3
225.10229	5.1
226.08719	2.2
226.10988	1.2
227.11771	2.2
229.09846	1.7
235.08607	1.5
236.09496	3.0
237.10278	6.1
238.11006	2.1
239.08240	1.1
239.11752	3.9
241.09715	4.3
243.08826	1.5
243.11320	24.7
249.10318	2.6
251.08179	1.5
251.11998	1.4
252.08946	1.5
253.09677	1.3
255.11279	2.2
256.12042	1.9
257.12985	0.9
259.10760	1.3
263.08182	1.8
263.11786	1.2
264.09024	4.9
265.09702	7.1
267.11243	5.0
269.09235	4.1
269.12927	1.1
271.10754	8.3
273.12314	3.7
274.13129	1.0
277.09641	3.3
279.11035	2.3
281.09250	1.2
283.10745	6.9
284.11453	2.3
285.12366	29.4
287.10287	11.8
293.09283	5.7
293.18604	1.9
295.10800	5.1
297.12350	6.8
299.10284	1.6
300.15103	1.6
301.11926	3.9
302.12848	2.6
303.13406	64.6
304.13882	1.8
311.10159	1.3
313.11829	3.3
314.16309	1.0
315.10437	1.3
315.13858	1.4
316.10968	1.1
316.14478	1.9
317.15411	1.4
318.15857	1.3
323.10248	30.9
324.10403	1.5
325.11960	5.6
326.12976	1.2
329.11401	4.0
330.12280	3.3
330.16074	1.1
337.12030	1.2
341.11484	3.2
342.12344	2.4
343.13251	1.9
344.13904	2.7
345.14786	1.9
346.15598	3.2
347.16333	2.1
354.12326	1.4
355.12866	4.3
357.11023	1.4
357.15314	1.3
358.11621	1.3
358.15503	5.7
367.11798	1.5
370.11972	2.8
371.12555	3.9
372.13364	5.2
373.14148	2.3
374.14935	3.4
384.13452	1.7
385.14444	2.6
386.15063	10.8
387.16141	4.6
392.16312	1.3
396.13528	1.6
400.12308	1.3
400.17041	1.5
402.14139	2.4
403.15414	1.4
404.15958	8.7
406.17651	3.5
410.15030	1.5
414.14526	10.0
415.15283	19.1
416.15936	1.9
418.17722	2.1
420.15472	3.9
428.16205	1.4
430.17770	3.1
432.15555	14.5
433.15707	1.1
438.16257	2.2
444.15411	2.4
446.17239	2.2
456.15463	3.2
462.16721	9.3
474.16623	40.7
475.17148	2.2
506.19290	7.6
553.72888	1.0
579.22528	1.5
581.23663	2.9
583.21881	10.3
597.23981	4.7
607.22034	10.1
625.22980	100.0
626.23541	6.0
639.23798	2.1
656.35895	1.1
657.25092	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	675.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
69.82999	1.3
93.55013	0.3
111.23259	0.3
165.03520	0.3
317.11868	0.3
420.29520	0.3
429.15744	0.3
453.15845	0.8
454.16656	1.0
455.13110	0.5
467.12601	0.5
467.17905	0.7
468.13773	2.7
469.14883	10.8
470.15439	1.8
471.16910	0.6
479.17670	0.4
481.14813	2.6
482.10617	0.3
482.15875	12.5
483.16608	13.7
484.17221	2.6
485.17920	0.4
495.17242	1.4
496.17603	6.3
497.18253	50.2
498.18753	5.9
499.19647	1.1
500.16583	0.5
501.17688	0.4
509.15805	0.4
510.19336	2.8
511.19830	7.5
512.20782	1.8
515.19232	1.4
523.16248	0.4
526.18353	0.4
527.15375	0.8
528.16522	2.8
529.17261	0.7
538.20325	0.5
539.20007	0.5
541.16858	1.6
542.18060	3.3
555.19189	1.5
556.19611	3.9
557.20343	3.7
569.20325	1.2
571.22052	0.7
585.23834	0.4
616.21912	1.3
625.22601	0.4
628.21063	0.4
629.22278	1.1
630.23077	0.5
643.23969	7.0
644.24768	8.9
645.24744	1.3
657.25604	8.3
658.26257	0.5
675.26642	100.0
676.26843	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	675.266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.6
61.64725	1.1
67.05502	4.7
69.07081	2.1
69.84005	3.0
69.84415	4.6
79.05481	2.7
81.03411	1.6
81.07045	4.0
83.08598	2.1
91.05452	2.6
92.28307	1.6
93.07044	3.4
95.08617	4.2
100.73640	1.2
105.07057	2.0
119.08640	1.5
145.10127	1.7
179.14519	1.2
184.78156	1.3
200.32870	1.8
284.40143	1.3
348.95093	1.4
351.32446	1.4
398.13742	3.5
399.14728	7.0
412.15341	6.2
413.15985	20.4
414.16989	19.4
415.18079	4.8
426.16846	7.6
427.17688	24.3
428.18399	28.6
429.19037	2.3
432.19632	1.7
440.18509	1.7
441.19562	14.5
442.19992	32.0
443.20758	8.8
455.21317	2.8
459.16113	2.2
467.16943	1.7
469.12158	3.0
469.18747	43.7
470.19061	30.7
471.18338	2.3
472.17273	5.9
473.18188	10.1
474.18283	5.4
485.14462	2.3
486.18710	2.8
496.16681	1.9
497.18372	2.5
499.15579	2.6
500.20575	3.1
501.21301	3.9
510.18753	2.5
513.17676	23.4
514.17944	28.3
515.17462	2.5
525.21277	6.9
557.24011	100.0
558.24048	7.4
573.23291	1.9
586.31305	1.4
588.25824	29.1
593.22717	1.4
600.22046	2.3
601.22595	3.1
615.24579	20.6
616.24811	93.0
617.24860	6.5
631.28699	3.1
643.23920	52.8
644.23718	3.3
675.26599	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	675.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61726	1.2
55.42686	1.0
56.42949	1.3
58.35770	1.3
64.78963	1.3
67.05499	3.6
69.71995	7.4
79.05504	3.7
81.07047	3.5
91.05486	2.8
92.94338	1.2
93.07057	3.8
95.08630	3.2
105.07059	2.1
121.10162	1.5
133.10170	1.7
134.43617	1.1
238.37665	1.1
327.41788	1.4
398.13687	2.0
399.14774	4.3
400.15875	1.5
412.15289	5.0
413.16031	18.1
414.17181	19.6
415.18335	6.4
426.16818	5.4
427.17682	22.9
428.12628	1.1
428.18451	29.5
429.19064	1.8
430.16489	2.9
433.19635	1.8
441.19647	13.6
442.19897	34.7
443.20721	10.9
453.15527	1.9
455.16333	2.1
455.21451	1.6
456.22083	1.3
458.15677	1.6
460.20709	1.7
469.18762	40.3
470.19055	32.3
471.17639	2.5
472.17371	4.9
473.18250	9.9
474.18741	7.1
482.20227	1.2
486.19104	2.0
501.21387	2.6
509.18277	3.4
510.18542	2.1
513.17639	25.1
514.17926	30.8
515.17798	1.4
523.19427	2.2
525.21460	7.8
541.20563	2.1
557.24030	100.0
558.24683	6.8
588.25848	29.2
601.22363	4.0
615.24524	18.9
616.24841	91.8
617.24506	4.8
631.28406	2.7
643.24011	52.6
644.23474	3.2
675.26477	5.8
675.43585	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
69.43463	2.5
69.43875	1.5
70.45805	0.6
93.07011	0.6
93.13550	0.5
134.39279	0.7
140.84552	0.6
144.42159	0.7
165.19615	0.5
267.14212	0.6
384.12299	0.8
385.13879	1.4
396.12497	0.8
397.13129	2.4
398.13779	6.9
399.14764	5.0
400.16486	7.3
401.16754	0.8
411.14517	1.8
412.15372	6.7
413.16135	10.6
414.16461	1.0
416.15076	1.7
418.17908	2.7
423.14523	1.0
425.16232	1.2
426.11966	0.8
426.17432	3.3
427.17789	11.9
428.18704	12.0
429.18912	1.8
439.13745	0.8
440.14792	2.3
441.15594	2.6
442.19669	0.6
443.13513	1.3
444.13782	0.7
445.18750	1.1
446.17477	1.2
453.16113	0.8
454.16022	1.2
455.17230	39.7
456.18170	4.7
457.14786	3.4
458.15924	6.1
459.16690	6.1
469.15311	1.9
470.15900	1.2
471.16687	3.4
472.17563	3.5
473.18188	2.2
480.14157	1.0
481.15106	0.8
482.15787	1.3
483.16690	30.2
484.16742	2.7
485.18500	1.0
486.19452	3.3
487.20795	6.2
488.16962	1.0
495.16760	2.6
497.18240	1.2
500.20520	0.7
501.17673	2.2
513.17981	2.8
514.18213	1.7
515.19440	5.9
516.20123	1.2
523.16125	3.3
524.16663	0.9
527.14886	4.6
528.16241	1.2
537.17822	1.5
538.18158	6.8
539.19208	5.7
540.19525	1.7
541.16998	2.6
555.19012	1.9
556.18994	8.0
559.22278	1.1
560.22821	12.6
561.22949	0.9
570.17041	0.8
573.19666	2.2
583.18066	0.8
585.27197	0.9
587.21484	9.7
588.22174	100.0
589.22516	3.8
590.20178	0.9
598.20520	1.3
601.19043	2.9
606.22650	1.9
613.26776	0.8
615.20782	23.7
616.21124	5.2
619.24121	4.3
629.22284	4.1
643.19122	10.5
647.23456	5.6
675.23059	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	675.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95205	0.7
62.31359	0.8
63.18702	0.8
69.67424	0.8
70.31967	2.7
77.73122	0.9
159.75372	0.9
370.10742	1.2
384.12012	5.3
385.12985	14.3
386.13730	6.3
397.13126	1.2
398.13812	6.8
399.14600	22.4
400.15350	55.1
401.15771	4.2
411.14929	1.7
412.15295	7.9
413.16071	17.2
414.16855	23.8
415.17242	4.5
423.13867	1.2
424.15253	1.5
425.16455	1.4
426.16821	2.9
427.18115	10.5
428.18710	14.0
429.19296	50.1
430.19525	3.9
441.15552	3.8
442.16092	7.9
443.13553	3.8
444.14163	12.7
447.20071	2.1
455.17184	19.1
456.18015	6.8
457.14566	2.3
457.19235	2.3
458.15146	4.4
459.16730	3.4
469.19485	2.0
472.17496	6.6
473.18253	20.4
480.13879	1.1
481.15228	1.6
482.15210	1.9
483.16568	11.3
484.21310	2.0
487.16028	4.7
495.16870	2.2
496.17563	2.0
497.17630	2.0
499.16150	3.3
500.16467	1.3
501.17270	9.8
502.18362	4.3
511.19672	2.0
514.18231	1.6
516.23651	10.7
523.16461	2.0
524.16321	1.1
527.15247	6.2
537.17810	1.2
539.19275	13.5
540.19629	14.2
541.18701	1.4
543.14941	1.5
543.22443	15.6
544.23236	34.6
545.23126	2.6
555.18854	4.3
560.22711	15.3
569.20642	1.9
570.20667	2.1
571.21918	58.7
572.22278	21.8
573.20264	3.0
575.24591	3.7
587.21124	8.1
588.22192	100.0
589.22040	5.0
601.22186	2.7
603.24646	5.5
615.20795	7.9
616.21130	8.0
619.23627	3.6
629.22406	19.5
630.22375	1.2
631.24121	6.8
647.23389	8.7
657.21991	20.6
658.21948	1.4
675.23047	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	674.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.5
55.01869	3.0
55.05272	1.4
55.05518	22.1
57.03437	2.2
57.07082	8.3
59.05002	17.8
61.02912	1.1
67.05515	10.5
68.99775	1.0
69.03438	8.8
69.07074	15.0
69.79016	4.9
70.06590	3.9
71.04990	1.9
71.08615	1.3
72.08158	1.3
72.84249	0.7
73.02919	1.5
73.06544	1.2
77.06020	1.0
79.05485	2.8
81.03427	9.0
81.07059	16.4
83.08626	44.7
84.08160	1.3
85.02906	19.1
85.03384	1.7
85.06549	1.2
86.09704	2.4
87.00829	9.9
87.04472	24.0
89.06037	42.4
91.03941	1.0
91.05503	1.4
93.07058	1.9
95.04988	1.0
95.08611	28.4
96.99659	0.8
97.02901	5.7
97.10184	14.3
99.04469	4.5
103.03950	96.2
103.07589	18.6
105.01869	4.6
105.07051	1.5
107.07078	1.7
107.08614	1.8
109.02892	7.4
109.10170	11.1
117.01846	1.3
117.09090	0.8
119.07072	2.3
120.08093	1.1
121.08641	10.4
121.10150	1.1
123.11720	1.0
125.09647	1.6
127.03929	10.8
131.07043	9.9
131.08614	0.9
133.08609	20.6
133.10091	1.3
135.08102	2.3
137.05952	0.9
139.14857	1.1
145.04945	4.1
147.06534	10.7
147.10226	1.0
151.09669	3.7
151.14803	8.1
157.39767	0.8
159.02898	3.0
163.07600	1.0
163.09669	3.0
169.15865	2.0
175.09679	1.0
177.11273	2.5
191.09177	5.3
195.12291	9.8
207.12294	17.2
207.14093	1.5
209.10237	1.0
227.20103	6.1
231.05054	1.4
235.11787	24.6
240.99084	0.8
253.12843	52.2
257.21109	1.8
271.22623	4.9
289.23764	1.3
333.26462	2.0
345.26288	9.2
391.26926	100.0
392.27161	2.8
409.27939	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	674.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.1
55.01854	2.4
55.05516	23.5
55.05788	1.2
57.03424	2.8
57.07087	7.6
59.05003	19.8
61.02920	1.0
61.35476	0.8
67.05503	10.5
68.99828	1.1
69.03434	11.0
69.07074	15.5
70.06598	2.4
71.04979	2.7
71.08637	1.8
72.08131	1.0
73.02919	2.5
73.06548	1.4
79.05493	2.2
81.03431	9.7
81.07066	16.0
83.08624	44.7
83.73956	0.8
85.02905	19.2
85.06537	1.6
86.09714	1.2
87.00830	8.2
87.04471	24.1
89.06035	40.1
91.05479	1.1
93.07032	1.8
95.04989	0.8
95.08611	26.5
97.02905	5.6
97.10173	15.6
98.21507	2.1
99.04452	3.2
103.03947	99.7
103.07584	16.6
105.01830	4.2
105.07022	1.2
107.07048	1.5
107.08573	2.4
109.02870	8.1
109.10162	10.2
111.08117	1.0
119.07065	2.5
119.08559	1.0
121.08615	10.9
121.53427	0.8
123.11679	1.7
125.09637	1.6
127.03922	11.1
129.01840	1.0
131.07047	8.7
133.08606	19.6
133.10158	1.0
135.08037	1.4
137.13245	1.0
139.14824	1.3
145.04971	3.3
147.06551	12.9
147.10175	1.0
151.09644	3.2
151.14830	9.4
159.02870	2.9
159.11778	0.9
163.09666	3.5
163.14812	1.3
165.07681	1.1
165.35524	0.8
169.15849	3.2
175.09660	1.9
177.11209	3.3
191.09210	5.5
195.12321	9.0
207.12317	18.4
227.20074	8.0
228.98410	1.0
231.05011	1.8
235.11780	24.3
253.12843	53.0
257.21109	2.2
270.09799	0.9
271.22754	4.3
333.26172	2.4
345.26315	10.5
391.26913	100.0
392.27008	1.4
409.28018	9.3
450.19525	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.36
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21532	0.9
51.22878	0.8
53.03937	2.5
55.01867	2.1
55.05515	24.1
57.03426	1.9
57.07078	8.4
59.05003	21.5
61.02925	1.9
67.05508	12.0
69.03433	11.1
69.07074	15.6
69.30295	6.1
70.06597	4.9
71.04994	2.7
71.08627	2.2
72.08184	1.1
72.11747	0.8
73.02911	2.2
73.06544	1.2
74.09703	0.8
77.06034	1.1
79.05519	2.0
81.03423	9.3
81.07061	16.1
83.05006	1.1
83.08620	50.8
85.02910	20.9
85.06544	1.9
86.09725	2.4
87.00830	8.0
87.04471	24.2
89.06033	42.7
91.05490	2.1
93.07035	2.4
95.04962	1.9
95.08611	28.2
97.02898	6.5
97.06538	1.5
97.10170	15.6
99.04475	4.7
103.03945	100.0
103.07588	19.1
103.25668	0.9
105.01859	4.6
105.07011	2.5
107.07078	1.3
107.08616	2.7
109.02879	9.6
109.10166	12.8
111.08131	0.8
117.01873	1.8
117.09170	1.0
119.07081	2.2
119.08592	1.4
120.08165	1.2
121.08625	10.8
121.10146	1.6
123.08080	1.0
123.11745	1.1
125.09657	3.0
127.03925	10.9
131.07057	10.9
133.08601	21.8
133.10184	2.1
137.06006	1.3
145.04974	2.7
145.10100	1.3
147.06525	12.6
147.10133	1.7
147.11710	1.0
151.09686	2.8
151.14819	9.0
158.36099	0.9
159.02887	3.7
163.09663	3.7
165.07683	1.1
165.09116	1.4
169.15887	3.0
175.09586	1.9
177.11232	3.3
178.04997	1.0
187.03923	1.0
191.09105	4.7
191.12727	1.2
195.12292	8.4
207.12282	14.5
227.20056	7.5
231.05029	1.9
235.11768	21.9
246.11383	1.3
253.12839	47.3
257.21088	2.1
271.22614	4.8
289.23663	1.1
333.26434	1.7
345.26404	9.2
391.26910	100.0
392.27127	2.5
409.27985	11.0
448.35837	0.9
459.08585	1.0
630.35352	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.4306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	12.5
55.01868	6.2
55.05506	31.2
57.03428	4.3
63.82946	4.1
65.03933	5.1
65.21694	3.7
67.05505	85.6
69.03423	40.6
69.07069	25.5
71.04994	7.1
71.49187	7.8
71.49549	5.0
79.05063	7.6
79.05492	75.1
81.03432	27.4
81.07054	100.0
83.04977	14.9
83.08624	16.6
85.02953	4.4
85.06548	8.0
90.72771	4.0
91.05482	67.1
93.07042	77.0
95.04984	21.3
95.08611	47.6
97.02883	6.5
97.06535	13.0
97.10172	5.2
104.30183	3.9
105.07030	45.4
107.04951	7.3
107.08595	44.9
109.02908	4.5
109.06522	9.6
109.10155	18.1
110.05759	3.8
111.04480	5.3
111.08067	7.3
115.05422	4.5
117.07016	26.1
119.08596	31.7
121.10157	23.2
123.08056	4.9
129.06996	14.5
131.08575	29.8
133.06458	5.7
133.08669	4.2
133.10115	28.0
135.08075	7.0
135.11688	14.8
137.09544	4.2
141.07007	6.9
143.08531	8.9
145.10138	22.6
147.11693	15.8
149.09549	5.5
149.13271	20.8
155.08580	9.6
157.10178	12.7
159.08060	7.5
159.11690	17.3
161.13283	5.3
163.11142	6.8
167.08578	5.4
171.11691	14.2
173.13336	7.8
175.14873	7.1
177.12787	10.7
183.11736	5.6
185.09541	6.1
185.13219	5.3
187.11218	4.8
195.13834	11.7
199.14876	5.6
227.24780	4.2
269.17529	16.7
277.21637	5.5
301.21561	9.7
319.22653	5.3
341.66595	4.8
351.23068	7.5
369.24283	13.7
387.25293	13.9
395.20639	6.1
461.29181	7.4
637.40784	10.9
655.41632	9.4
673.32019	8.1
673.42932	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	673.4312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	9.8
55.01851	6.0
55.05510	33.2
57.03437	8.3
57.07070	3.0
63.89737	3.5
65.03931	4.8
67.05505	88.6
68.06694	3.1
69.03134	3.4
69.03432	36.3
69.07076	27.2
71.04966	6.3
79.05492	74.4
81.03413	32.6
81.07057	100.0
83.04980	9.1
83.08620	18.0
85.02898	8.5
85.06544	4.6
89.06037	10.0
91.05478	62.2
93.07050	67.3
95.04957	18.7
95.08608	51.2
97.02876	4.6
97.06524	10.6
97.10147	4.5
105.07037	41.4
107.04980	9.1
107.08595	37.0
109.02888	5.6
109.06505	9.7
109.10165	19.5
111.04386	7.3
111.08087	6.0
111.60403	3.2
117.07033	27.6
119.04973	5.1
119.08599	27.3
121.06502	7.6
121.10133	25.3
123.11744	8.0
125.09605	3.8
127.03942	4.3
129.06985	15.1
131.08578	27.8
133.06517	5.0
133.10121	25.9
135.08040	8.6
135.11670	14.7
137.13242	3.0
141.06996	7.4
142.07703	3.4
143.08563	11.2
145.06499	6.1
145.10080	18.5
147.08138	5.0
147.11656	14.2
149.13242	22.1
155.08463	6.3
157.10130	8.7
159.08075	5.2
159.11685	21.5
161.09587	3.5
161.13225	7.0
163.11227	4.4
165.12775	5.8
167.08511	4.2
169.10168	6.6
171.11737	7.8
173.13272	6.2
175.11122	4.7
175.14711	4.1
177.12726	7.7
183.11626	5.9
185.13292	7.8
195.13808	11.4
197.13260	4.2
199.14758	3.7
199.30070	4.0
201.12917	3.7
209.13290	4.0
219.20967	3.5
221.08345	3.1
228.93045	5.4
249.14841	5.0
259.20544	6.0
269.17410	16.5
289.21646	4.7
301.21481	10.3
327.23279	3.7
351.23080	7.4
369.24252	14.3
377.19418	3.8
387.25125	7.8
395.20557	3.7
443.27594	4.4
461.28833	6.6
637.40808	8.2
655.41412	6.9
673.30719	18.2
673.42761	58.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.4312
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41665	3.0
53.03938	10.7
55.01865	8.0
55.05513	24.6
57.03432	9.1
57.07077	5.9
65.03941	6.8
67.05509	100.0
67.57269	2.9
67.57650	2.8
69.03436	52.0
69.07067	26.9
71.04991	9.4
71.49400	4.5
79.05071	4.6
79.05502	65.2
81.03420	27.5
81.06589	6.1
81.07059	99.2
81.71213	3.2
83.04973	10.4
83.08619	18.8
85.02905	6.0
85.06525	5.3
87.04496	4.1
89.06038	27.9
90.06348	4.2
91.05489	59.5
93.07049	79.4
95.04981	18.4
95.05487	2.9
95.08066	2.5
95.08610	54.6
97.02925	5.6
97.06538	9.2
97.10172	7.9
99.04454	4.6
105.07035	43.7
107.04970	5.4
107.08594	45.0
109.02896	5.6
109.06525	8.4
109.10164	22.0
111.04400	6.9
111.08063	6.1
117.07019	31.3
119.08572	35.7
121.06494	3.5
121.10120	26.7
123.04414	3.6
123.08079	5.1
123.11741	6.9
127.03929	7.3
128.06207	3.7
129.07021	11.5
131.08566	31.4
133.06454	9.1
133.08604	15.5
133.10109	33.8
134.08907	3.7
135.08092	7.8
135.11710	18.9
135.87442	3.3
137.09625	4.7
141.07036	5.7
143.08565	10.9
145.06519	7.4
145.10149	19.9
147.08032	7.5
147.11671	21.7
149.09662	4.2
149.13252	23.6
155.08540	5.5
157.10115	10.1
159.08086	6.0
159.11758	19.9
161.13263	9.3
163.11240	7.1
165.12807	6.0
167.08519	3.2
169.10069	8.5
171.08063	4.1
171.11731	10.1
173.09615	3.5
173.13277	11.4
175.11165	4.8
175.14864	4.1
177.11252	7.7
177.12790	8.9
181.10120	3.7
185.13321	7.5
187.14911	5.3
189.12798	5.9
195.13811	12.3
197.13290	5.8
199.14819	4.6
201.12749	3.6
209.13138	4.2
211.14941	5.6
223.14850	3.6
239.12459	4.1
267.15714	3.7
269.17529	17.3
277.21799	4.7
292.15607	3.1
301.21640	8.1
313.21439	5.4
319.22662	4.3
327.23303	4.4
334.90588	3.1
351.22952	7.4
357.24094	3.4
369.24380	14.9
387.25293	9.7
402.94748	3.3
405.25882	3.7
443.28339	4.2
459.49072	3.1
461.29016	11.2
637.40948	8.8
655.41711	12.9
673.43146	59.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2866
Annotation	13-Deacetylbaccatin VI
Peak:m/z	Relative Intensity
53.47347	3.3
55.05518	3.7
60.21592	3.4
67.05495	11.9
69.07067	4.8
71.48750	4.4
79.05486	10.2
81.03442	4.3
81.07049	9.9
85.65424	3.8
91.05466	6.4
91.70084	3.2
93.07062	8.6
95.08590	8.8
99.77084	3.5
105.07027	8.6
107.08576	5.5
131.08531	4.2
159.09172	10.1
209.10710	5.1
210.11522	5.4
223.12323	4.7
224.13110	4.6
225.13797	12.3
237.13841	13.4
238.14673	12.0
239.15434	11.9
248.11740	4.7
253.17004	9.9
262.13593	4.7
276.14880	3.5
326.16351	5.3
338.16464	5.8
341.18777	3.9
348.14789	4.3
363.16568	5.3
394.18216	5.7
405.17191	5.2
406.17731	8.4
409.20074	6.5
421.20441	5.8
423.21924	10.1
433.19958	4.4
436.22900	4.8
439.21942	4.4
443.21692	4.1
447.21915	4.6
448.18472	6.9
453.23303	4.7
456.22336	4.1
461.23450	7.2
462.21048	3.7
463.21146	4.0
466.19876	6.3
480.21735	10.9
495.23163	4.8
498.25800	5.7
499.27371	5.1
507.23572	5.8
519.24237	5.5
524.27838	3.9
541.28223	6.4
551.26270	8.4
554.25293	5.6
555.22430	4.1
569.27722	17.8
577.24109	7.7
583.27838	4.5
587.28577	9.3
594.24786	23.0
595.25519	100.0
596.25604	5.4
601.29694	7.8
605.24420	7.9
609.27094	57.5
611.28693	18.1
612.25781	15.1
613.26404	11.7
614.27051	5.4
623.24353	8.9
629.29761	92.1
631.27527	11.7
637.26172	11.6
655.27576	22.9
673.28754	90.6
673.41235	7.2
674.27496	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	673.287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.1
55.01873	2.2
55.05511	10.1
57.03434	3.2
62.66569	1.8
65.03948	2.2
67.05513	29.1
69.03426	9.1
69.07064	8.2
69.58258	3.2
69.58674	6.6
73.01541	1.8
74.19211	1.6
79.05495	22.2
81.03425	8.1
81.07061	28.1
83.04972	2.3
83.08613	5.0
85.02912	4.1
87.04447	1.9
91.05489	20.6
93.07056	21.3
95.04968	5.0
95.08611	28.3
96.08940	3.8
97.02891	2.5
97.06555	3.7
97.10182	2.1
99.31552	1.7
105.03395	4.0
105.07055	10.7
106.03697	1.9
107.04976	2.5
107.08602	13.9
109.02848	2.1
109.10156	4.7
111.23354	1.7
116.33440	1.9
117.07023	8.1
119.08592	9.6
121.06587	2.2
121.10146	8.7
123.11735	3.4
128.06308	1.9
129.06975	2.9
131.08575	8.1
133.10130	8.2
135.08070	2.8
135.11693	4.8
143.08591	2.3
145.10141	5.4
147.11703	4.9
149.05949	3.7
149.13275	4.2
157.10133	4.2
159.08087	2.0
159.10204	3.2
159.11702	7.8
161.13393	2.5
164.10800	1.9
165.12723	2.3
171.11754	3.1
173.13268	3.6
184.07376	2.6
187.11241	2.0
209.10861	1.6
210.11502	2.0
215.12830	7.1
225.14017	2.2
237.13754	3.2
262.13541	3.6
269.17532	5.1
274.62839	1.9
276.15097	2.6
301.21616	2.6
306.95013	1.9
317.74963	2.4
335.25876	4.9
336.26117	5.0
350.16388	1.9
352.17407	2.3
353.17627	3.2
354.19421	2.4
363.15912	2.3
366.18454	4.4
367.19339	6.0
369.24185	3.4
375.15778	2.2
376.17178	3.4
377.17554	5.9
379.19238	6.7
380.20193	3.7
381.20792	6.8
382.21674	2.6
387.16162	3.8
391.19083	5.8
393.20850	5.0
395.18793	2.8
396.19232	1.9
405.16974	18.9
405.20837	1.8
407.18564	7.1
408.19339	3.0
409.20337	9.1
410.21005	3.0
411.21753	4.8
419.18710	3.3
420.19632	16.6
421.20157	6.8
422.21335	13.0
423.21765	6.8
425.23749	2.2
433.16537	6.4
435.22318	2.3
437.19165	9.5
447.22763	3.0
448.18942	65.9
449.19482	7.7
450.20880	2.5
451.21655	3.2
454.23721	8.3
455.24295	2.3
463.25809	2.2
465.19037	7.1
467.19824	1.9
475.17493	23.2
476.18445	8.0
476.34698	3.7
477.19070	3.2
478.19757	2.6
479.20670	6.6
480.21588	68.3
481.22134	6.2
483.23804	6.4
484.24451	6.6
493.18539	6.6
493.23059	2.3
494.19617	4.1
503.21243	2.9
506.19034	3.5
507.20117	3.7
508.20886	15.0
509.21597	2.5
510.22430	2.7
511.23547	6.6
519.24274	5.7
520.21014	6.6
521.21832	7.2
525.24866	4.2
526.25354	2.8
538.21783	5.1
539.22632	16.8
540.22827	3.0
549.21326	6.2
552.23834	5.7
553.24371	5.3
563.22900	3.8
567.22644	2.7
571.25372	4.5
580.23169	100.0
581.23804	11.4
582.23889	2.3
585.27618	4.0
595.25525	44.3
598.24127	45.7
599.25037	22.8
613.26178	10.7
614.26953	3.5
623.25073	69.6
624.24811	4.1
641.26129	90.8
642.26221	3.7
673.28400	58.3
673.42743	10.6
674.29114	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	673.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77547	1.4
69.13136	14.0
76.71381	1.4
79.17221	1.3
85.37011	1.5
151.87253	1.5
173.10588	1.8
211.40065	1.4
223.12450	2.7
225.13991	2.6
235.12401	1.8
237.14026	2.2
238.14771	2.8
239.15440	2.6
240.89986	1.6
247.12274	1.6
262.13995	1.5
276.14963	1.9
302.12592	1.5
318.16470	1.8
326.16370	1.7
352.17972	2.5
353.18073	4.7
354.19647	2.6
363.16180	2.0
365.17929	3.4
366.18695	2.8
367.19397	6.1
376.17493	2.4
379.19318	4.3
380.20230	2.3
381.16885	3.6
381.21100	5.1
382.22156	1.9
391.19232	2.5
392.20560	1.5
393.16547	1.6
393.21075	2.3
394.17816	2.6
395.18582	4.7
397.20508	2.0
405.17105	5.0
407.18793	3.5
408.19986	2.8
409.20282	9.4
410.21030	6.7
411.21786	8.5
420.19611	4.9
421.20544	4.7
422.21365	5.5
423.21985	4.6
424.23114	1.8
425.23730	2.3
434.22189	2.2
437.18726	7.3
437.24536	3.5
438.24231	4.9
439.25070	4.9
448.18829	16.5
449.19553	1.8
451.21753	3.6
452.22208	3.4
453.23273	2.6
454.23602	4.4
455.24771	3.0
465.23779	2.8
466.24060	9.1
467.25134	2.6
469.22394	4.6
475.17194	10.3
476.18295	1.7
477.19156	2.1
478.20306	2.0
478.29465	1.8
480.21716	21.2
481.26837	3.6
482.23331	5.5
483.24014	11.5
484.24716	16.3
485.24530	2.1
492.21976	2.4
493.19244	6.0
494.19595	3.4
495.20813	1.9
498.25909	4.1
505.18506	2.0
507.20297	2.0
508.21417	4.9
509.25433	1.7
510.22925	3.0
511.23557	9.6
517.28070	1.7
520.21143	3.2
521.21759	2.3
525.25098	5.5
526.25745	6.9
538.22260	6.2
539.22876	10.9
540.22864	2.4
549.21649	5.5
553.24414	12.6
566.21533	3.1
567.22437	2.9
570.24792	10.7
571.25494	15.4
580.23212	24.6
581.24164	5.3
585.27112	7.2
595.25623	2.9
598.24139	39.1
599.24866	10.6
613.26636	44.7
614.27368	2.9
623.25317	5.9
641.26031	62.6
642.26917	4.3
673.28711	100.0
674.29034	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	673.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85938	0.8
52.50518	0.8
67.22137	0.9
70.98185	2.1
91.50432	0.9
120.08160	1.0
129.54564	1.0
175.40852	1.0
209.10701	1.8
210.11418	2.2
211.08661	2.7
211.12148	1.4
212.09428	1.7
213.10226	1.0
215.08131	1.1
223.08533	1.1
224.09363	2.2
225.10301	5.7
225.13937	5.3
226.10991	1.8
227.08141	3.3
227.11801	1.4
237.10201	2.9
238.10916	2.9
239.08125	2.2
239.11748	5.8
240.12692	2.0
241.09758	1.7
241.13408	1.6
251.11842	2.7
253.09741	3.2
253.13380	30.2
263.08188	1.4
265.13358	1.4
281.09152	2.9
301.12292	1.1
309.08536	1.3
313.11792	3.6
314.12421	2.3
316.10767	1.5
328.10608	1.5
328.14270	1.4
330.12396	2.8
342.12192	1.3
354.12009	1.1
356.14008	1.8
358.11865	1.2
359.12643	1.1
364.31699	1.0
371.12439	1.0
372.13043	1.5
372.17096	3.1
374.15097	8.5
388.16495	4.2
389.17609	6.1
393.13739	1.8
394.14197	1.5
400.16626	5.2
404.14880	1.7
404.19766	21.5
409.16342	1.7
416.15857	2.0
421.12820	2.6
422.13382	1.5
423.18094	3.0
431.18439	1.9
432.19388	8.2
434.16788	1.0
435.13983	1.8
436.15265	2.1
437.15897	3.2
448.19336	1.2
449.15735	1.9
450.16885	1.5
451.17740	6.8
460.18942	4.6
463.17166	1.5
465.18353	1.3
465.23587	2.2
466.19617	1.1
467.20605	3.9
475.21722	1.9
477.15344	2.0
479.21255	1.9
481.22189	1.8
482.22888	1.1
489.19135	1.6
491.17499	1.3
491.20300	1.6
492.21469	34.4
493.18387	3.0
493.21884	3.6
497.18225	1.0
503.20575	3.6
506.19794	1.7
507.20221	8.0
511.19647	2.8
521.21838	5.5
523.19818	1.4
525.21735	2.1
531.20251	1.6
537.24634	2.0
538.23370	1.4
539.23126	7.7
549.21637	8.4
553.24536	3.5
555.22412	1.5
563.22656	4.0
570.24622	1.2
571.25208	1.5
580.23474	2.6
581.23969	17.3
585.26483	1.1
591.22565	2.9
595.25116	1.9
598.23932	1.9
609.23413	1.5
613.26563	47.0
614.27081	1.6
623.24927	7.7
641.26062	100.0
642.26031	3.3
655.27051	3.8
673.18341	0.9
673.28613	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	671.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07065	1.4
81.07077	1.3
81.47773	0.9
82.53981	0.9
98.21507	2.9
99.02671	1.3
105.07597	0.9
162.97585	0.9
175.01654	1.0
175.42804	1.0
197.00417	0.9
218.65413	1.0
228.90178	1.1
282.95157	0.9
365.17734	1.3
377.17764	2.0
378.18744	1.3
379.19324	2.7
380.20370	1.3
391.19186	2.4
392.20319	2.8
393.20660	5.5
403.19434	1.3
405.21063	3.1
406.21628	3.0
407.22638	7.2
408.19165	1.2
419.22556	1.8
420.23492	1.3
421.24234	7.6
422.20865	1.6
423.21725	9.8
432.19119	1.0
433.24152	2.4
435.21988	1.5
436.22610	4.4
437.23404	10.7
438.24170	1.3
447.25906	1.4
449.19275	1.6
449.24130	1.4
451.20621	3.9
451.25192	7.9
463.20871	4.8
465.22894	15.6
473.27313	1.7
475.21472	3.0
477.22882	1.1
479.24619	4.4
480.25281	1.3
491.24786	1.7
493.25998	1.4
495.27948	1.4
508.28482	1.2
509.29135	4.2
519.24347	2.1
523.27075	2.7
535.27167	3.9
549.28448	1.4
551.26617	5.3
553.27893	2.0
566.28760	3.4
567.29846	9.2
611.28668	6.5
627.31793	1.7
653.29663	7.8
671.30811	100.0
672.30927	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	671.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45017	1.2
56.36593	1.1
68.40074	1.4
98.21625	2.5
211.69330	1.3
229.57439	2.0
257.61588	1.1
315.17340	1.2
394.18143	2.2
405.20874	2.5
407.18475	2.0
408.19382	2.0
409.19989	2.8
419.22736	1.6
420.23218	2.4
422.20969	1.4
423.21753	19.5
433.24054	1.8
435.17700	1.8
437.23703	7.9
438.24185	3.5
446.21323	1.3
448.22531	1.9
461.23462	3.6
465.23038	3.1
479.24438	3.9
486.22430	1.4
491.24640	2.7
495.24213	4.8
507.23508	2.0
509.25403	2.7
519.24146	1.4
521.25531	6.6
523.27313	7.2
524.27887	5.9
525.28638	2.7
533.25836	2.0
534.25818	2.1
535.27118	4.9
537.25220	1.4
551.26508	2.6
566.28992	4.6
580.26508	3.4
582.28699	5.6
583.29340	12.5
584.29681	1.9
593.27466	3.2
612.28748	2.2
639.27386	2.5
653.29919	12.9
671.30768	100.0
672.31384	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	671.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57403	0.4
70.79388	1.1
86.60721	0.3
107.30383	0.3
132.08109	0.5
146.09659	0.3
197.10643	0.8
209.10886	0.7
211.12350	0.5
216.78899	0.4
223.12344	0.8
224.13127	0.4
225.14072	0.4
235.12331	0.5
237.13989	0.6
239.31541	0.4
249.14053	0.5
251.15631	0.4
259.12250	0.4
261.13800	0.4
263.15475	0.4
276.15213	0.6
313.15936	0.4
338.16022	0.4
339.62674	0.4
340.18369	0.6
350.16681	0.5
352.17596	0.4
353.17798	0.7
365.17764	0.4
367.19122	1.7
376.17575	0.5
377.17795	0.7
379.19287	1.1
380.20178	0.8
381.17123	1.3
382.21585	0.5
389.17746	0.5
391.19354	1.0
393.16592	0.5
393.21045	1.2
394.21979	0.7
395.18542	1.9
396.19522	0.5
397.20328	0.6
403.19479	0.9
405.16479	0.5
405.21414	0.9
406.17816	0.5
407.18567	0.7
407.22995	0.5
408.19586	0.6
409.20316	1.4
410.20944	1.5
411.21960	0.6
417.20947	0.7
418.17816	0.5
420.19547	0.6
421.20325	1.4
422.20987	1.2
423.17529	0.9
423.22421	1.0
425.23431	1.7
430.17993	0.5
431.18292	0.6
432.19965	0.8
435.17346	0.6
435.22400	0.7
436.22763	1.2
437.24417	1.7
438.20435	3.2
439.21259	1.6
445.20486	2.5
446.21179	1.3
447.22397	0.7
449.18802	0.7
449.23648	1.4
451.21439	1.0
452.22293	0.6
453.22879	8.6
454.23581	1.2
459.21686	1.7
460.22574	1.5
461.23590	1.4
462.20535	0.7
463.21371	0.7
464.18561	0.8
465.22888	1.4
467.24780	0.7
469.26050	2.8
474.24176	1.6
475.21124	0.8
476.22211	1.4
477.23352	2.4
478.19894	0.6
479.20883	1.1
480.25433	0.6
483.23901	1.6
487.21909	0.6
493.22696	0.6
495.24060	1.6
497.25626	4.8
501.22913	1.6
502.23959	3.6
503.20261	2.6
505.18729	0.8
507.24207	2.8
508.24390	0.6
509.25137	1.1
510.23169	0.4
511.27649	0.8
512.27875	3.7
518.23529	0.5
520.25159	0.9
521.21710	0.6
521.25720	0.6
522.26355	0.6
523.20276	1.7
523.27197	1.1
524.23950	0.8
525.25018	3.6
529.22314	1.2
530.23126	1.0
533.25592	3.0
534.26343	1.1
535.26642	1.2
536.24207	1.3
537.24542	1.0
538.25598	2.3
539.26428	1.0
540.27356	8.4
541.27979	0.6
545.25781	3.5
551.27173	1.8
561.24854	3.1
562.25604	1.1
563.26831	1.9
564.24066	0.6
565.24957	1.1
568.27472	0.6
579.25397	2.1
589.24457	6.2
590.24872	0.5
593.27448	1.2
595.28467	0.6
597.25995	0.4
607.25476	1.5
611.28363	2.6
621.26685	1.5
627.28009	0.7
639.28210	13.1
640.28455	0.5
653.30225	2.0
671.30719	100.0
672.31152	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	671.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12713	0.3
64.86130	0.3
64.86488	0.3
70.93011	0.9
82.68948	0.3
132.08168	0.4
138.79811	0.4
144.08116	0.4
152.12610	0.3
197.10663	0.3
209.10840	0.5
211.12326	0.5
221.10930	0.6
223.12349	0.5
235.12209	0.6
237.13919	0.7
238.14690	0.5
249.13892	0.4
251.15483	0.4
262.13416	0.5
321.57162	0.3
338.60077	0.4
350.17041	0.4
353.17810	0.7
363.16299	0.4
365.17917	0.5
367.19400	1.5
377.17865	0.5
378.18649	0.5
379.19354	0.8
380.20377	0.5
381.17081	0.9
381.21204	0.7
382.21396	0.3
383.22394	0.4
391.19574	0.7
392.20474	0.4
393.21085	0.8
394.21661	0.7
395.18542	1.7
407.18347	0.8
407.22986	0.7
408.19620	0.5
409.20367	0.5
410.20920	1.0
411.21780	0.7
418.17856	0.5
421.20175	1.2
422.21143	0.8
423.17487	0.7
423.22119	1.4
425.23355	0.9
431.18503	0.7
432.19675	0.7
435.17740	0.7
436.22916	0.7
437.23618	1.0
438.20612	3.8
439.21387	1.6
445.20398	1.4
446.21448	0.5
447.21887	1.4
448.23102	0.4
449.18805	0.5
449.23706	1.3
450.20892	0.5
451.21338	1.0
452.21915	0.4
453.23007	6.2
454.23740	1.0
459.21854	0.7
460.22592	1.0
461.23947	0.8
462.20520	1.4
463.21097	1.0
465.23358	1.6
467.24554	1.0
469.26212	2.3
474.24292	1.2
475.21143	0.4
476.22049	1.5
477.23575	2.6
479.20309	1.0
480.25629	0.5
483.24002	1.2
489.22980	0.5
492.21774	0.5
493.22476	0.5
495.24109	0.5
497.25528	3.8
501.23383	0.8
502.24127	0.8
503.20343	1.9
505.18304	0.8
507.23990	1.2
508.24820	0.7
509.25531	0.8
510.26346	0.8
511.27798	0.4
512.27637	2.7
519.24963	0.4
520.24481	0.4
521.22064	1.2
522.26343	0.5
523.19983	1.5
523.27191	0.9
525.24896	2.4
529.22656	0.7
533.25800	1.8
535.26862	1.1
536.24133	0.9
537.24957	1.1
538.25787	2.0
539.26910	0.6
540.27380	7.7
545.25555	1.1
551.26910	2.9
561.24835	1.7
563.26538	2.6
564.23859	0.5
565.24365	0.5
579.26007	1.8
589.23920	2.0
593.27466	1.4
595.29163	0.7
607.25537	1.4
611.28833	2.9
639.28101	10.8
653.29816	0.7
671.30762	100.0
672.31097	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	671.271
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72680	1.6
54.28567	1.7
58.24301	1.8
67.05511	2.3
71.49012	3.0
72.14497	1.7
81.07050	2.7
93.07000	2.1
183.05928	1.9
234.20039	2.0
244.26881	2.2
295.11093	2.1
315.24805	1.9
378.19012	2.1
390.19705	1.8
391.19162	5.6
403.19275	2.2
405.21008	4.0
407.22766	2.6
419.18240	2.1
420.19312	3.0
421.20135	5.7
424.18536	1.8
433.20419	3.2
434.21045	6.0
435.21964	5.8
447.22131	3.3
448.23001	2.5
449.23560	17.9
450.24338	5.0
451.20981	3.9
461.19550	3.3
463.25723	3.0
465.22955	6.3
475.21515	8.0
476.22418	2.4
479.20456	3.1
481.22461	2.8
482.23175	1.8
493.22430	6.5
503.20905	4.9
507.24130	16.1
508.24753	20.7
509.25836	17.4
517.22369	2.4
519.19794	3.3
535.23676	2.9
539.26611	6.5
540.23853	3.9
541.24823	2.5
549.24701	3.2
551.22681	3.0
563.23120	2.3
567.26056	27.4
569.24231	6.1
577.24506	2.6
579.22424	8.4
595.25775	8.6
597.22888	8.8
599.28687	61.4
600.29205	3.3
609.26953	2.8
621.24756	3.9
627.28033	7.2
639.24542	25.0
653.25482	3.6
671.27191	100.0
672.27789	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	671.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90027	0.7
70.20617	1.7
70.21007	1.3
85.03547	0.7
88.47257	0.7
189.10324	0.8
235.12383	1.0
251.15457	0.9
274.13721	0.8
352.17810	0.9
353.17770	1.2
354.19357	0.8
364.17947	1.3
365.17862	2.3
366.18738	1.8
367.19244	2.3
377.17630	1.1
379.19348	1.8
380.20258	1.4
381.16946	0.8
381.20892	6.8
391.15311	1.1
391.19693	1.1
393.17151	1.4
395.18613	1.2
405.17160	1.5
407.18665	1.9
408.19611	1.1
409.20316	4.0
411.17737	1.3
418.18445	0.9
420.19604	1.6
421.20602	1.4
422.21146	1.6
423.21967	5.0
425.19577	7.2
435.22583	1.1
437.19043	1.6
437.23770	2.3
438.20129	1.1
439.21646	4.6
447.22220	1.6
448.18900	1.7
451.21579	0.9
453.23486	1.1
454.23654	1.1
455.24774	1.8
461.23721	1.1
464.22577	2.0
465.18771	5.4
466.19910	1.0
479.19397	1.0
480.21390	2.3
482.19861	1.1
483.20370	2.5
485.21924	1.0
492.21002	1.2
494.23059	0.9
495.24036	2.1
496.20874	1.8
497.21509	1.7
498.22595	3.0
499.23657	2.9
513.25104	13.8
519.24170	3.9
525.24512	1.0
527.19061	1.2
541.20721	2.1
554.23090	1.0
555.22479	9.0
563.22546	1.2
569.23810	1.3
574.23907	0.8
585.27008	3.4
595.25665	11.1
611.25269	1.6
627.28217	5.5
628.25171	7.9
629.26062	68.6
630.26428	1.4
671.27130	100.0
672.27899	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99894	0.7
56.43659	0.7
62.99334	0.7
70.54020	1.9
71.98136	0.7
73.36224	0.6
82.14672	0.8
86.04793	0.8
97.08257	0.7
98.20713	0.7
122.09633	0.9
222.11497	1.0
223.12379	1.3
224.13152	1.7
225.13947	1.8
235.12402	1.0
236.12952	0.9
237.13812	2.0
238.14693	1.4
239.15546	0.9
249.13818	2.2
251.15465	2.0
265.13245	1.1
274.13596	0.8
351.16364	1.4
362.16431	0.9
364.17871	0.9
365.17822	2.3
378.19058	1.0
379.14883	0.9
379.19382	1.9
381.20917	2.4
391.19485	1.1
392.20975	0.9
393.21036	1.8
394.22021	1.1
395.22723	1.4
405.16934	1.2
407.18765	2.3
409.20453	1.5
419.23169	1.1
421.20428	2.2
423.21954	2.1
425.19928	1.8
435.21851	2.8
436.22842	1.7
437.24152	4.0
438.20947	0.9
439.21231	2.3
445.20560	0.8
447.22211	1.7
449.19855	1.6
453.23627	3.6
454.23730	3.2
460.19223	0.9
461.19461	1.1
465.23358	2.2
467.20929	1.2
473.20029	1.0
475.21042	2.1
481.22293	2.0
482.23273	11.2
491.20889	2.5
493.22171	1.2
503.20511	1.2
509.21790	2.3
510.22595	1.3
519.20251	2.1
522.19513	0.9
537.21313	2.0
541.23969	2.5
551.22772	3.1
553.20923	0.8
563.21411	0.9
569.15009	1.0
569.23944	21.9
579.22375	1.8
595.25769	1.8
597.23462	15.0
611.25293	1.0
612.26044	2.7
613.24127	0.8
621.23737	4.2
639.24786	2.0
653.26178	2.7
671.27112	100.0
672.27344	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	671.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62035	1.6
54.63246	1.4
65.73452	1.5
67.05494	2.3
70.88621	3.0
70.88947	2.7
79.05485	1.6
91.05490	1.9
93.07083	2.9
98.97023	1.6
105.07034	1.9
115.46124	1.7
120.08055	1.8
161.06973	2.0
174.63113	1.7
210.11388	2.2
221.10751	4.5
222.11391	3.7
223.12296	4.6
224.13152	1.9
225.13857	6.2
235.12367	5.1
236.13080	5.0
237.10269	2.3
237.13821	5.7
238.14684	6.3
246.11522	2.7
247.12234	4.0
249.10214	3.3
249.13939	3.5
250.14728	1.9
251.11865	3.3
251.15434	3.8
253.13348	3.0
261.13873	3.6
264.12643	7.0
265.13391	2.4
277.13342	4.2
277.16595	1.6
279.15070	1.8
336.14832	1.9
348.14951	1.8
349.15961	2.1
350.16351	2.2
364.18085	4.0
366.19717	3.7
374.16559	3.0
376.17767	4.6
377.19226	1.9
378.15659	2.9
379.16736	2.8
380.17249	2.1
380.21484	2.3
388.18372	2.3
390.19821	3.6
392.17490	4.5
392.21823	2.2
393.18088	3.5
394.19275	3.6
396.16721	1.8
404.17664	5.4
406.19171	2.3
407.15729	2.3
408.20923	3.5
409.21631	2.4
418.19461	3.2
420.16687	3.4
421.17709	2.6
422.18567	4.6
432.17133	2.4
434.18607	3.5
435.19348	2.1
436.20078	5.3
437.20996	2.7
438.18033	1.9
446.18933	6.0
447.18759	1.9
448.20706	2.8
449.16464	2.0
450.17990	2.0
452.19281	2.6
453.20288	2.5
460.20581	2.9
464.19913	6.9
465.21262	2.1
479.21411	2.5
481.19907	2.9
482.20728	4.0
488.19650	5.0
489.18945	3.9
490.17743	3.1
491.17603	2.2
492.19217	5.4
502.17944	4.1
503.20132	2.2
504.19043	1.7
505.19464	2.3
507.20825	2.2
508.19379	1.9
509.20331	3.0
510.19891	3.0
516.19055	5.4
520.18677	2.5
523.21185	1.9
529.17041	2.2
533.19952	2.3
534.21021	3.4
544.18707	3.7
545.20959	4.4
546.20654	10.2
547.19373	5.6
548.18164	2.3
550.21057	3.1
551.20416	3.6
552.22034	2.7
562.20667	2.3
563.20941	2.0
564.18408	2.8
566.22540	3.5
572.18311	13.6
576.21472	2.1
577.24438	11.0
578.22937	19.8
579.21552	2.8
580.20807	5.4
582.26086	3.7
589.20819	12.3
590.19153	20.4
593.23450	5.3
594.22412	5.4
595.25256	2.3
603.22675	9.8
604.20758	5.4
607.21680	17.4
608.21368	2.3
610.25238	6.0
611.24817	6.4
621.23499	76.1
622.21893	100.0
623.21960	3.9
626.24878	5.7
639.24408	42.7
653.26172	34.0
654.24487	44.2
671.27051	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	30.5
55.77281	3.1
56.67334	3.0
57.03441	8.6
57.07069	11.2
61.02938	20.9
64.04258	3.1
67.05511	39.8
69.03419	4.6
69.06735	4.1
69.07078	49.1
71.08612	5.9
71.48871	3.3
73.02921	9.0
79.05508	20.0
81.07061	53.7
83.08618	43.6
85.02909	33.8
85.10158	5.3
90.54946	3.1
91.03970	30.9
91.05508	4.1
93.07056	20.9
95.08611	44.4
97.02892	20.8
97.06504	7.0
97.10182	25.7
107.08604	17.2
109.10143	17.3
111.08089	8.3
111.11735	4.4
121.10145	46.7
123.11714	11.9
123.12532	3.5
127.03925	14.4
128.07532	3.2
135.11711	39.0
137.13261	10.7
145.04959	16.3
149.13268	13.4
163.05984	23.0
163.14786	4.6
219.21097	46.8
237.22154	100.0
255.23265	23.7
299.69714	3.3
311.25833	97.6
329.26822	65.9
393.16580	3.4
639.24799	14.6
670.29449	10.7
671.30310	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	670.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	11.0
55.01881	3.1
55.05493	1.5
57.03432	1.5
61.02911	1.7
67.05496	1.8
69.03436	8.9
70.06585	1.9
71.47858	2.6
71.48235	1.6
73.02927	3.4
77.14322	1.6
81.03425	16.2
81.07066	2.3
83.04987	1.9
84.08123	3.3
85.02912	20.7
87.00829	15.9
91.05470	2.3
95.04984	1.8
97.02897	23.7
99.04464	10.1
102.60175	1.5
103.03947	3.7
103.61671	1.4
105.01886	10.9
109.02882	40.2
121.33720	1.5
123.08117	1.5
127.03936	43.1
145.04988	15.8
148.81160	1.6
159.02904	6.2
163.06021	1.9
163.14703	1.8
172.08882	1.8
183.08076	5.2
185.06023	3.4
187.07600	2.4
191.10585	2.0
194.16132	1.6
200.08380	1.7
201.09244	2.7
203.10858	1.9
210.06798	4.0
211.07530	5.1
213.03847	5.0
213.05507	15.0
215.10757	3.4
225.09122	12.5
227.06914	1.7
228.07791	4.0
231.05000	13.9
243.10190	100.0
249.06192	3.8
250.99557	1.8
261.11288	29.3
357.08444	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	669.2921
Annotation	Agrimol G
Peak:m/z	Relative Intensity
54.63706	0.5
57.10555	0.5
58.34692	0.5
61.06128	0.5
63.19842	0.5
65.84071	0.5
69.97776	2.6
81.07050	0.9
90.49400	0.5
116.21865	0.5
118.06502	0.7
120.08068	0.6
138.69418	0.6
190.52483	0.5
209.10840	1.5
210.11562	1.2
211.12335	1.5
213.10318	0.6
223.12410	1.6
224.12990	1.1
225.13892	4.1
226.14642	1.5
232.09862	0.6
233.11090	0.6
235.12416	0.8
238.14626	0.6
239.15604	0.8
245.10768	0.6
247.12369	1.3
249.13922	1.7
251.11832	0.6
253.13394	0.6
259.12439	0.9
261.13916	1.1
267.14853	3.1
275.12097	0.5
275.15488	2.4
276.16293	1.4
277.13498	0.5
277.17099	0.5
285.49115	0.5
293.13016	1.6
303.15045	1.3
326.17480	0.6
363.16235	0.9
377.17825	1.2
379.19202	1.2
391.19708	1.2
393.20886	1.9
394.20804	0.6
405.16727	0.8
405.21252	1.0
407.17902	0.8
407.22485	2.2
419.18790	1.3
420.19620	2.0
421.20142	4.9
433.15814	0.9
433.20847	1.3
434.16779	1.0
434.21643	1.0
435.21997	6.9
436.22812	3.8
437.23175	0.7
445.20093	0.8
447.22037	2.0
448.18115	1.0
448.23444	0.9
449.23904	6.1
450.24213	2.4
461.19031	4.0
462.20380	1.5
463.20691	12.6
464.21707	0.8
465.23346	0.8
473.23499	1.5
475.21545	3.5
476.22583	2.9
477.23361	1.0
479.24606	1.1
490.23599	1.6
491.20099	1.6
491.24799	1.6
494.23529	0.7
495.23685	7.0
500.22382	0.8
503.21082	1.8
505.26053	1.8
507.23932	2.4
508.24722	1.1
519.23926	0.8
521.26569	2.5
522.26343	2.7
523.27203	23.8
524.27576	1.2
531.24274	1.1
532.24500	1.3
533.25281	0.9
535.23547	3.8
539.26807	0.8
549.25092	2.4
550.25751	6.3
551.26550	1.6
553.24133	0.9
559.24854	0.6
564.27417	2.3
567.26050	2.6
577.24390	2.3
581.27393	2.0
582.28394	28.8
583.28851	0.8
609.27136	12.4
610.27972	1.3
622.28278	0.7
637.26593	19.1
638.27008	1.1
651.27972	2.8
669.29193	100.0
670.29669	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	669.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71109	0.3
68.67057	0.4
70.06586	0.4
71.05400	0.5
74.02441	0.5
91.05503	1.2
115.05450	1.1
117.05758	0.6
117.06991	1.0
118.06552	18.2
119.06902	0.4
130.06544	1.3
132.08101	4.9
142.06474	2.0
143.07323	2.6
144.04465	0.5
144.08092	12.9
145.08365	0.6
146.06020	61.1
147.06393	1.7
159.09180	5.0
160.07530	0.5
163.03932	0.8
167.03981	0.3
170.06032	3.8
173.97989	0.3
185.58699	0.3
188.07079	100.0
189.07423	3.1
190.07681	0.8
205.09740	38.9
206.10022	1.1
207.10199	0.4
229.00082	0.8
236.99097	0.6
255.00027	0.6
285.83447	0.4
319.57947	0.4
371.03314	0.4
373.04245	1.8
379.91370	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55184	2.0
71.48895	2.8
73.51499	2.2
73.92085	2.0
179.08363	2.1
180.44398	1.9
215.83293	1.9
235.42805	2.2
271.39771	2.2
339.00735	2.3
341.59998	2.1
392.19107	1.9
401.60852	2.3
406.20648	2.6
407.17731	4.9
408.17999	3.0
421.19809	3.2
422.19852	18.5
423.20447	4.8
435.21112	3.8
436.21454	20.0
450.23129	5.8
466.23279	3.9
478.19012	7.1
480.24359	2.7
483.20844	2.4
494.22723	2.0
509.24533	8.6
527.26855	4.7
536.26349	3.5
538.28210	18.5
550.25378	4.9
555.26086	5.0
566.27631	70.5
567.27930	2.8
578.27527	2.6
581.29980	37.7
608.28650	27.9
609.29114	2.9
640.29584	2.8
650.29651	10.8
668.30646	100.0
669.30914	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	668.219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.4
60.04529	0.1
60.28546	0.1
68.99494	0.1
68.99807	0.2
70.06594	1.2
70.76346	0.3
71.04990	0.2
72.08148	0.3
84.04498	0.4
84.08146	0.5
85.02914	0.6
86.09713	0.2
91.05530	0.1
97.02892	0.2
101.55450	0.1
105.03392	0.2
107.04938	0.2
109.02811	0.1
109.88346	0.1
110.07173	0.2
118.06467	0.2
119.04964	0.1
120.08068	0.1
121.02872	4.8
123.00772	0.7
129.10268	0.2
131.65825	0.1
133.06456	0.2
135.04366	0.3
136.07542	0.3
137.02324	0.4
141.01817	1.4
141.06963	0.1
147.04417	1.0
149.02374	0.2
159.07953	0.1
163.03873	0.2
165.01840	1.8
169.06490	0.3
171.04410	0.2
177.01886	0.1
183.02901	1.1
197.06020	0.8
201.05484	0.4
203.10193	0.1
215.06969	0.3
215.49409	0.1
225.05443	0.9
243.06589	1.2
271.05927	0.7
299.05511	100.0
300.05853	2.2
301.07178	0.1
313.75549	0.1
315.04947	0.8
338.07495	0.2
342.06906	0.2
359.12231	0.2
366.07083	0.2
396.08188	0.3
409.09116	0.2
444.10098	0.2
456.48953	0.1
461.10822	13.8
462.11182	0.3
488.15549	0.2
607.16644	0.9
614.11945	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26903	1.3
60.07620	1.2
69.24567	9.1
69.24985	3.5
72.50946	1.3
138.01976	1.3
238.83894	1.5
347.61450	1.6
376.16818	2.1
377.17542	6.6
378.18143	2.9
389.17993	1.8
391.19412	7.5
392.19556	4.5
393.20410	1.8
405.20529	5.0
407.22415	11.7
419.18372	6.1
420.18906	3.1
421.16376	2.0
431.18512	3.2
433.19763	2.4
434.20636	4.1
435.21930	12.4
445.20514	1.8
446.21262	1.6
447.17505	3.1
447.22659	1.7
449.19455	4.2
450.20190	1.7
451.21503	8.0
459.17780	5.8
461.19077	4.5
463.20554	1.8
465.22537	4.1
473.19965	6.6
474.19922	4.0
475.20905	1.6
477.18887	4.3
479.20877	35.2
487.17639	2.6
488.21512	2.9
489.17657	2.1
489.22769	5.1
493.22260	7.4
494.23166	11.9
501.19104	3.2
502.19763	2.6
505.17889	6.7
506.19061	2.9
515.20416	4.0
516.21417	3.6
517.22449	75.6
518.21967	3.9
521.24719	5.0
533.21509	1.8
537.24408	2.8
547.23047	2.2
549.25110	73.5
550.24640	2.0
565.23999	2.8
575.22797	11.4
576.22943	2.5
579.25800	1.6
580.26056	2.5
581.24329	3.2
593.24200	17.4
607.24677	9.5
607.32983	2.5
608.26245	17.7
635.25098	100.0
636.25140	7.2
639.27216	3.0
667.26654	60.9
668.26746	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	667.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
49.99958	0.7
79.05499	1.3
81.07085	1.9
91.78353	0.7
95.73521	0.7
106.06522	0.9
121.10155	0.9
132.08087	1.6
133.56743	0.9
139.85320	0.8
146.17578	0.8
178.04980	2.0
209.10886	1.5
219.09309	0.8
220.09802	1.6
221.10844	1.5
223.12218	1.1
233.10747	0.9
235.08693	1.8
237.10330	1.1
238.25890	0.9
247.12413	1.0
249.10191	2.2
250.10980	1.0
251.11783	2.2
252.12642	1.1
259.08990	0.9
261.10458	1.1
263.11871	1.9
285.12589	0.9
311.10599	1.1
312.11603	1.4
313.12216	1.5
314.12845	2.0
326.12943	2.5
327.13507	2.9
328.14392	1.6
330.12372	0.9
340.14359	1.4
353.11383	0.9
354.12366	2.8
356.13925	1.6
358.11685	1.0
362.16705	1.1
368.13757	1.2
371.12958	1.0
372.13483	5.4
373.14450	1.6
385.14771	1.0
386.15524	1.4
387.16125	1.2
388.16992	1.6
389.17941	1.0
396.13553	1.8
398.15073	0.9
399.16129	1.2
400.17279	1.6
401.17715	2.0
402.18719	1.4
403.19434	1.9
404.20206	1.0
412.17200	1.1
413.18085	3.8
414.14362	2.7
414.18637	2.6
415.14767	4.4
415.19931	1.9
416.16119	3.1
417.21149	1.6
418.21805	0.9
427.19366	2.9
428.15997	3.3
429.16473	2.2
429.21472	1.7
431.18060	1.3
431.22952	1.7
443.13834	1.1
443.22766	1.4
445.20694	1.2
457.16705	3.5
458.16922	1.4
459.21701	3.5
460.18823	1.0
469.20456	1.3
471.18036	1.0
472.18024	1.9
473.20056	4.4
474.20978	0.9
475.21652	0.9
477.23178	1.0
485.15799	1.6
487.21838	9.6
488.22116	1.2
497.19504	1.7
498.20584	2.2
499.21072	1.5
500.18265	2.6
501.19345	3.9
502.19580	1.1
505.22162	1.3
515.13800	1.3
515.20825	15.7
516.13269	0.9
516.21173	3.7
517.18439	1.1
519.23944	2.4
522.88141	0.9
529.18243	4.1
531.24323	7.4
533.21631	1.9
543.19934	5.8
547.23810	5.7
551.26300	1.4
557.21753	1.2
560.20929	1.0
561.21295	7.2
575.22925	46.1
576.22797	1.4
579.26355	6.9
585.21515	1.1
603.22461	37.7
604.22766	1.2
607.25262	1.8
617.23505	1.6
621.23370	3.4
634.47278	0.8
635.25055	100.0
636.25165	3.2
649.26495	1.8
667.27484	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	667.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77859	1.6
60.80065	1.7
67.24679	1.5
69.89858	8.3
77.52427	1.5
81.04931	1.7
81.77301	1.7
98.20857	2.2
156.29698	1.5
207.09258	2.2
219.39548	1.7
225.10310	2.0
245.54613	1.6
261.64618	1.8
303.56912	1.7
352.14514	2.4
368.13678	2.0
375.16754	2.2
377.17828	3.1
379.90427	1.9
385.14380	2.4
389.17957	3.7
390.18631	4.9
391.19186	10.4
398.15109	2.4
402.18478	2.3
403.19406	3.7
404.20114	3.8
405.20871	9.9
406.21777	3.3
417.21338	2.2
418.21536	2.0
419.22437	6.6
420.16162	1.9
430.18497	3.2
433.20169	4.0
435.18481	5.5
445.20660	3.9
447.22250	3.8
449.19946	6.3
450.20432	2.1
451.22034	2.3
461.19858	7.7
463.21390	7.8
465.22592	8.6
473.19974	3.4
477.23239	2.5
479.20416	4.0
487.21771	3.5
488.17975	3.1
489.18951	3.6
490.20401	1.8
493.22189	34.9
501.19202	8.1
502.20224	2.3
505.18839	3.0
515.21021	8.1
516.21747	3.2
519.24030	1.9
520.25433	1.9
521.25452	15.5
533.21857	4.2
537.25397	3.4
547.23364	7.6
551.26416	14.0
552.27173	2.9
565.24493	28.5
566.24908	2.1
575.22864	11.6
576.23541	2.3
579.26031	19.7
580.26837	99.1
581.27283	3.9
589.24445	2.7
607.25586	63.9
608.26044	3.9
635.25049	41.5
635.34967	3.4
636.25806	2.8
639.28223	11.1
649.27167	14.1
667.27673	100.0
668.28113	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	667.2765
Annotation	CHEBI:69781
Peak:m/z	Relative Intensity
63.78014	0.6
67.05514	1.0
70.73339	1.3
81.07096	0.7
94.06583	0.9
98.65630	0.6
108.08094	0.8
147.07446	0.6
183.09163	0.8
187.08711	1.0
195.09195	1.0
196.09979	0.9
197.10846	1.2
199.08655	1.0
207.09256	0.9
208.09901	0.8
209.10773	4.2
210.11656	1.1
211.08749	0.8
211.12418	2.0
221.10768	0.9
223.08696	1.4
223.12424	2.3
224.13336	1.1
225.13899	1.5
235.08768	1.0
235.12291	0.7
236.09587	0.7
237.10295	3.8
239.11812	2.8
247.12346	1.1
249.10245	3.1
250.11057	1.2
251.08275	1.0
251.11888	2.6
252.12715	0.9
253.09775	1.7
253.13451	0.7
265.09848	2.3
267.11377	1.0
275.11725	0.9
277.09857	1.3
279.11423	1.8
290.13959	0.6
297.12488	0.8
311.10565	0.8
326.13092	0.9
343.60812	0.7
387.16330	1.0
389.18121	0.8
401.18228	1.1
402.18564	2.0
403.19266	1.8
405.21231	0.9
415.15295	1.2
416.16034	1.2
417.16403	1.5
417.21530	1.5
421.20630	1.2
427.19733	0.8
429.17084	1.3
430.17715	1.2
431.18695	2.1
443.18835	2.6
444.19791	1.3
445.20709	1.7
446.11862	0.7
455.18964	0.8
457.16400	1.1
458.21625	1.3
459.17230	1.6
459.22049	3.3
461.19608	0.8
471.17767	2.0
471.23001	0.9
473.19678	4.6
474.40271	0.7
475.21628	0.9
486.20557	2.3
487.16385	0.8
487.21295	6.7
488.18509	1.2
489.19345	2.1
497.19534	0.7
499.17661	1.2
500.18369	1.1
501.18741	2.8
503.20871	4.2
504.21393	1.3
505.22290	1.2
508.25162	0.9
513.19196	0.8
514.20087	2.4
515.21448	10.7
517.19080	0.6
518.23163	1.6
529.23633	0.8
530.23126	1.4
531.20184	3.0
532.20959	1.4
536.24323	0.8
537.24963	1.8
543.20728	1.5
545.22040	1.4
546.22656	5.2
547.23364	1.3
557.22028	1.5
559.19684	1.9
560.21338	0.9
561.25073	5.6
565.24377	2.3
574.22119	10.7
575.22876	1.6
587.19238	0.8
589.24500	54.6
590.24762	1.9
602.22040	2.0
607.25616	0.8
617.23907	18.1
635.24921	2.1
649.26611	100.0
650.26526	4.9
667.27765	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	667.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23910	0.4
66.11920	0.4
69.03420	0.5
70.23132	0.4
72.93790	0.7
73.04742	0.4
74.02441	0.5
81.03434	0.6
85.02922	1.0
87.00822	0.6
89.03899	0.5
90.94861	0.7
91.05477	1.1
97.02915	0.9
109.45097	0.4
115.05490	0.9
117.05764	1.0
117.06989	0.7
117.67101	0.4
118.06543	19.6
118.07372	1.0
119.04974	0.4
120.13087	0.4
123.04433	0.5
127.03893	0.9
130.06500	1.1
132.08096	4.0
132.95886	0.6
135.04434	0.8
137.06013	2.4
142.06500	1.3
143.07272	2.3
144.04396	0.5
144.08089	11.5
146.06012	63.5
147.04416	0.5
147.06367	0.6
158.97447	2.1
159.09186	6.1
163.03896	1.9
166.99844	0.4
170.06010	4.7
188.07069	100.0
189.07356	1.5
190.44753	0.5
194.97418	0.5
205.09731	41.7
206.10179	0.5
208.99020	2.6
216.97917	1.0
227.00024	3.0
234.96832	1.1
234.99002	3.0
251.00067	0.8
252.14143	0.5
252.97929	1.7
261.53687	0.6
269.00665	0.6
287.29422	0.5
305.00961	0.6
371.04230	11.0
379.00986	1.0
397.01932	1.2
425.22110	0.5
440.94562	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.5
55.01872	0.5
55.05509	0.8
57.03436	0.6
60.05640	0.4
60.91389	0.4
64.91592	0.3
67.05503	1.1
69.03428	1.4
69.07072	1.0
70.06606	2.0
71.05005	0.4
71.47792	0.5
72.08165	0.6
73.02882	0.4
73.92128	0.4
79.05494	1.1
80.02087	0.4
81.03442	0.8
81.07059	1.4
83.04974	0.4
83.08622	0.5
84.04514	0.5
84.08155	0.5
85.02910	1.0
86.09724	1.1
91.05493	1.5
93.05824	0.5
93.07049	1.2
94.06567	0.4
95.04948	0.5
95.08607	1.2
97.02887	0.6
99.04445	0.5
105.07052	0.9
106.06573	0.5
107.07350	0.6
107.08618	1.3
108.08163	2.2
108.08795	0.4
109.02878	0.8
109.08480	0.4
109.10175	1.2
118.06566	2.6
119.08556	0.9
120.08117	1.4
121.10167	1.0
122.09685	1.5
123.04424	0.5
125.09665	1.3
127.03896	0.6
130.06558	1.0
131.07376	0.5
131.08563	0.6
132.08098	2.3
133.02843	0.4
133.09001	0.4
133.10144	0.6
134.06017	0.5
135.08121	0.4
135.11617	0.5
136.07584	11.1
136.08560	0.6
136.11232	1.1
137.07945	3.1
137.09593	0.7
144.08098	1.0
145.07574	0.5
145.08945	0.5
145.10168	0.5
146.06091	0.4
146.08278	0.5
146.09627	2.1
147.11685	0.5
149.09622	0.4
152.07085	0.5
159.09203	1.5
160.07553	0.4
160.09692	0.4
160.11217	0.6
161.10820	0.4
162.09146	5.1
164.07079	4.6
164.10780	1.6
165.07469	1.7
165.09058	0.4
165.11288	0.5
166.12289	0.9
174.09206	0.9
176.10712	4.9
177.11388	0.7
178.08691	1.2
178.12354	1.5
179.09021	0.5
179.12747	0.6
187.08733	0.9
188.09116	0.7
190.12279	7.9
191.11821	0.5
202.15996	0.6
203.08322	0.4
203.11852	0.8
204.12154	0.8
204.13899	1.0
206.08162	0.5
215.08203	0.5
216.12585	0.6
217.12857	0.5
218.15550	1.2
219.11354	0.7
228.17487	0.5
229.09813	1.2
232.16982	1.1
233.09428	0.4
239.15712	0.4
246.18625	1.3
247.10927	1.2
248.11238	0.9
258.18515	0.5
260.19998	0.9
261.12463	1.3
262.12723	0.9
276.10492	0.4
285.16165	0.7
286.16315	0.8
289.11902	1.4
290.12308	0.9
291.09912	0.4
293.11340	1.9
294.11792	1.6
304.19315	0.7
307.12961	0.6
308.13333	0.8
309.16080	1.4
310.16287	1.8
315.05157	1.5
318.20541	0.9
324.27118	0.9
327.17310	0.8
328.17514	1.2
329.18463	0.5
330.19113	0.6
332.22272	1.0
335.12469	2.4
336.12711	2.4
337.10211	2.2
338.10864	1.5
339.17307	0.5
340.17157	0.7
340.26498	2.1
349.13873	0.6
354.18097	0.5
367.18555	0.7
368.25870	5.1
386.26852	3.5
418.29526	3.9
430.29364	1.9
442.29184	0.8
448.24442	0.7
448.30627	14.8
459.23212	1.4
460.30783	0.7
488.33737	1.5
504.33282	10.9
578.27057	0.5
580.33789	0.5
594.93939	0.4
606.25867	0.4
666.38531	100.0
667.39038	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	666.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48806	0.3
50.51337	0.3
53.72129	0.4
57.03444	0.5
62.82079	0.3
64.68250	0.3
67.05511	1.1
69.03437	1.6
69.07068	0.8
70.06594	1.5
70.19344	0.3
70.82207	0.5
70.82525	0.7
72.08158	0.7
73.02927	0.5
79.05501	0.7
81.03416	0.5
81.07066	1.0
83.04985	0.4
84.04490	0.4
84.08146	0.7
85.02908	1.2
85.06536	0.4
86.09723	0.9
90.47329	0.3
91.05502	0.6
93.07061	0.7
95.04966	0.3
95.08620	1.2
97.02921	0.8
99.04449	0.5
105.07066	0.6
106.99581	0.3
107.07368	0.4
107.08604	0.6
109.02902	0.7
109.06515	0.5
109.10191	0.6
109.74947	0.4
115.55116	0.4
118.06544	1.5
119.08612	0.7
120.08115	0.8
123.11708	0.4
125.09654	1.1
127.03881	0.5
129.10284	0.5
130.06551	0.9
132.08099	1.9
133.10110	0.6
135.08075	0.4
135.11691	0.5
136.07608	0.5
137.06010	0.6
137.09599	0.5
144.08156	0.7
145.04915	0.3
146.09636	2.6
147.11722	0.4
158.09662	0.4
159.08177	0.3
161.13248	0.5
162.09125	3.8
165.09143	0.5
167.10722	0.4
172.11147	0.5
174.09169	1.0
176.10706	4.9
177.11516	1.0
190.12265	6.7
202.16054	0.4
204.13824	1.6
218.15486	0.4
221.18900	0.5
232.17097	1.1
237.84041	0.3
246.18639	1.0
256.17075	0.3
260.20261	1.2
288.23242	0.4
304.19064	0.5
315.04953	1.6
318.20697	1.4
324.27026	0.6
332.22198	0.5
340.26443	1.4
358.27884	0.5
365.27048	0.4
368.25870	4.8
386.27054	2.2
402.30551	0.4
404.27951	0.4
418.29520	3.6
430.29553	1.4
442.29483	0.5
446.33197	0.4
448.30618	13.0
460.30673	1.2
488.33887	1.4
504.33267	10.2
614.81281	0.4
666.38513	100.0
667.38611	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	666.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.1
55.01662	0.1
55.01883	0.5
55.05515	0.2
68.99791	0.3
69.03405	0.2
69.41191	0.9
70.06588	0.6
72.08160	1.2
73.74865	0.1
81.03414	0.4
84.08140	0.2
85.02899	0.1
86.09705	0.2
92.29237	0.1
95.04912	0.2
98.20824	0.2
103.05454	0.1
109.02876	0.2
112.60000	0.1
121.02850	0.2
123.00777	1.0
123.04436	0.2
127.03934	0.3
131.04939	0.2
135.04448	0.1
136.07570	0.2
137.02351	5.2
137.03416	0.4
141.01840	2.5
146.06009	0.3
147.04358	0.2
149.02376	0.2
149.06033	0.2
151.03891	0.3
157.06497	0.2
161.06020	0.2
163.03920	1.5
165.01852	3.0
169.03067	0.1
171.04436	0.2
177.01978	0.2
183.02907	1.2
185.06001	0.4
187.03908	0.6
188.74681	0.1
189.05513	0.3
197.05833	0.2
199.04005	0.1
213.05461	0.9
217.04935	0.6
227.03444	0.2
231.06499	0.4
241.04961	1.6
259.06052	0.5
269.04507	0.3
287.05475	0.6
315.04987	100.0
316.05331	2.2
335.17041	0.2
386.52994	0.1
404.25305	0.1
477.10120	0.2
483.81943	0.2
563.10345	8.2
564.10480	0.3
570.26593	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55099	0.5
55.05503	0.6
57.03433	0.8
61.02931	2.9
67.05506	3.2
69.03420	1.6
69.07056	1.7
70.21624	1.5
71.04973	0.5
73.02922	2.1
79.05477	2.5
79.38415	0.4
81.03417	1.4
81.07054	4.6
83.04966	0.8
83.08623	0.7
85.02911	3.9
91.03965	2.0
91.05482	1.4
92.32113	0.5
93.07034	3.4
95.08627	1.2
97.02899	2.6
97.06506	1.1
99.04470	0.6
101.02408	0.8
101.42484	0.5
102.35522	0.4
105.07027	0.7
107.08602	2.2
109.02885	0.7
109.06524	0.5
117.07006	0.6
121.10168	1.5
122.42177	0.5
127.03931	0.7
131.08534	0.6
133.10168	0.8
135.11734	0.6
145.05038	0.5
149.13254	1.9
159.11746	0.8
177.12851	0.6
185.04222	0.8
192.74590	0.4
195.13899	1.3
235.13054	1.1
243.08514	1.6
269.17682	0.5
291.15781	0.8
453.20938	16.5
454.21259	0.7
503.29391	0.5
665.35071	100.0
666.35492	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	665.3511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.5
55.05513	0.6
57.03433	1.1
61.02928	2.9
67.05508	3.6
69.03430	1.8
69.07072	0.9
69.21871	4.1
71.04990	0.4
73.02927	2.1
76.52934	0.4
79.05492	2.2
81.03413	0.7
81.07056	5.1
83.08625	0.6
83.90556	0.4
85.02906	3.4
91.03967	2.6
91.05500	1.2
93.07044	3.4
95.08607	1.1
97.02912	2.7
97.06532	0.6
99.04467	0.9
101.02374	1.0
103.03966	0.6
107.08618	1.8
109.02913	0.4
109.06569	0.5
111.08084	0.6
115.03876	0.5
117.07040	0.7
119.08616	0.6
121.10172	1.4
127.03973	1.3
131.08585	1.0
133.10133	0.8
135.11783	0.7
149.02367	0.9
149.09660	0.5
149.13281	1.1
159.11725	1.3
185.04218	0.5
193.05089	1.1
195.13893	1.1
200.02956	0.4
235.13095	1.5
243.08485	1.6
269.17599	1.2
290.27008	0.5
453.21051	14.0
503.30487	0.7
665.35126	100.0
666.35333	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	665.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.9
55.01867	2.8
55.05517	2.4
56.64024	1.1
58.43395	1.3
65.03940	2.9
67.05520	7.1
69.03419	5.2
69.07069	3.2
70.06577	7.8
70.73231	3.0
71.20168	1.2
72.08128	1.5
74.48573	1.1
78.10142	1.1
79.05477	5.4
81.03421	3.0
81.07052	8.1
83.04993	2.3
84.08134	1.3
85.02891	5.0
86.09718	3.3
87.00850	1.4
91.05473	6.5
93.05791	3.1
93.07074	6.3
94.06553	5.3
95.04949	3.7
95.08620	6.7
97.02924	1.2
97.06512	1.8
97.10138	1.5
101.04152	1.4
103.05510	1.6
105.07052	4.2
106.06532	1.4
107.04966	1.6
107.07377	1.9
107.08592	6.8
108.08117	17.7
109.02876	2.8
109.06499	2.0
109.10147	3.5
110.06062	1.5
111.08104	2.3
117.07021	2.3
118.06496	2.0
119.08575	5.9
120.08089	8.2
121.06486	1.9
121.10136	5.5
122.06026	4.0
122.09680	12.8
123.08101	1.5
124.11217	2.5
125.09615	4.8
127.03904	2.0
130.06490	1.6
131.07368	1.5
131.08560	2.2
132.08102	5.0
133.07613	3.8
133.08745	1.2
133.10045	1.7
134.06018	2.1
134.09654	5.8
135.06773	1.5
135.08023	1.8
135.10367	1.9
135.11661	3.2
136.07585	100.0
136.11209	7.7
137.07927	2.0
143.08453	1.9
145.07588	4.8
145.10048	3.0
146.05959	2.4
146.08453	2.3
146.09622	3.3
147.09204	1.9
147.11685	3.3
148.07561	4.0
148.09978	5.1
148.11131	1.4
149.09653	2.2
149.10770	1.6
150.09152	1.7
152.07077	4.5
157.07664	2.2
159.09195	11.6
159.11620	2.0
160.07584	3.8
161.07170	1.6
161.10733	3.9
162.05531	2.3
162.09142	3.1
163.11110	1.8
164.07079	47.1
164.10716	12.2
165.11465	3.2
166.08646	2.2
166.12303	7.2
173.07057	1.6
173.13243	2.0
175.08696	3.6
176.07101	2.1
176.10748	2.7
178.08638	8.9
178.12238	15.0
180.10118	1.3
184.09918	2.2
185.07201	2.6
185.10658	3.2
187.08687	12.5
187.12321	2.0
188.10699	2.0
189.10265	2.1
190.08688	1.4
190.12225	3.2
191.08171	2.0
191.11801	3.1
197.13187	1.5
198.16628	1.5
199.12320	1.6
201.10249	5.3
203.08189	4.8
203.11801	12.1
205.09738	2.1
206.08119	5.7
208.09686	2.6
209.10689	1.8
213.10168	1.5
215.08238	5.2
215.11867	1.3
216.12543	6.2
217.09581	1.6
219.07695	3.4
219.11276	8.3
224.09361	1.7
225.10355	1.6
225.13847	1.8
227.11873	1.8
229.09721	7.8
231.07716	2.3
233.09212	4.5
235.10809	2.7
237.10185	3.1
237.13884	2.3
238.10771	3.1
238.14703	2.8
239.11620	1.6
241.06259	1.4
241.13377	1.9
243.07874	1.5
245.00964	1.4
247.10759	13.4
251.11902	2.9
253.13409	4.0
257.09262	1.9
259.07162	2.8
261.12393	17.6
265.11700	2.2
267.11340	1.5
267.14807	1.5
268.11810	1.6
269.16458	2.1
273.08627	2.3
273.15933	2.7
275.10208	4.3
280.14624	1.4
281.12875	1.3
283.06943	1.6
285.15939	9.9
287.17487	1.7
289.11868	15.3
291.09717	4.6
293.11288	30.7
297.16010	2.8
301.08313	1.3
307.12872	11.2
309.10709	1.9
309.16006	24.8
310.16260	1.4
311.17014	2.5
315.09918	1.6
317.11240	2.5
319.09283	3.4
327.17035	15.5
329.07779	3.0
329.18582	9.0
335.12387	49.7
337.10370	29.1
339.16971	7.7
341.18719	1.9
348.16910	1.8
349.13882	7.5
354.18076	3.8
357.18161	2.2
366.18066	7.5
379.11395	6.2
399.26144	1.7
401.17230	3.0
410.17007	4.9
426.20523	1.9
442.19867	2.9
448.30374	3.5
456.21091	1.4
458.22977	12.2
470.23022	2.6
484.20389	2.3
502.21555	5.5
504.33075	1.9
579.33936	2.0
603.27808	4.9
605.26007	1.9
621.27679	2.4
621.34760	4.3
665.33563	8.6
666.38385	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	665.1716
Annotation	Apigenin 7-(6''-malonylneohesperidoside)
Peak:m/z	Relative Intensity
51.76172	0.1
53.03957	0.2
55.01875	0.2
55.05505	0.3
57.03431	0.3
62.61935	0.1
63.79549	0.1
65.03970	0.1
66.49754	0.1
67.01860	0.4
67.05512	0.2
68.99801	0.3
69.03431	0.7
69.07061	0.2
69.55253	0.5
70.06596	1.0
71.05001	1.6
72.08142	0.3
73.02917	0.1
79.05517	0.2
81.03414	0.5
81.07056	0.4
82.71433	0.1
83.04981	0.5
84.04527	0.1
84.08138	0.9
85.02911	2.8
85.03431	0.1
85.06500	0.1
86.09699	0.4
87.00835	0.3
91.05487	0.6
93.07043	0.4
95.04955	0.3
95.08603	0.3
97.02882	0.5
97.06551	0.1
99.04446	0.3
103.05549	0.1
105.01890	0.2
105.07017	0.3
107.08590	0.3
109.02893	0.5
109.10185	0.3
110.07115	0.1
111.04435	0.4
111.08072	0.2
117.01902	0.1
119.04938	1.5
119.08559	0.3
120.08109	0.3
121.02883	0.8
121.10129	0.2
123.08073	0.2
125.09634	0.5
127.03917	1.0
129.01854	0.2
129.05507	0.7
129.10277	0.1
130.06540	0.2
133.02864	0.2
133.10150	0.2
136.07564	0.4
137.05995	0.2
145.02827	0.7
145.04959	0.3
145.10075	0.2
146.06032	0.2
147.06496	0.2
149.05969	0.2
149.09669	0.2
150.21788	0.1
151.03888	0.1
153.00577	0.2
153.01834	4.8
159.02858	0.2
160.31169	0.1
161.05957	0.2
161.09642	0.1
163.03891	0.6
165.09137	0.1
167.07082	0.1
167.10777	0.1
169.06487	0.1
171.02922	0.5
173.05951	0.1
174.38736	0.1
175.04054	0.2
175.14835	0.2
179.03407	0.1
187.03929	0.2
189.03851	0.1
201.05466	0.4
203.06976	0.1
213.03975	0.1
225.05505	0.3
229.04997	0.3
231.04996	0.2
237.07753	0.1
241.09782	0.1
243.06494	0.2
247.06186	0.1
271.06015	100.0
272.06393	2.0
285.12192	0.1
287.10159	0.1
309.07614	0.2
313.07101	0.3
315.05115	0.3
325.10715	0.4
347.12515	0.2
382.48370	0.1
417.33298	0.2
503.17239	0.2
519.11407	0.8
572.96307	0.1
579.17181	0.3
615.22919	0.1
647.25952	0.1
665.16522	1.0
665.26855	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.0
57.03437	5.3
61.02927	1.0
64.69911	0.7
68.99788	1.7
69.03436	0.8
69.61720	2.8
69.62133	1.4
70.06583	2.3
71.04996	24.6
72.08143	1.2
75.04438	0.8
83.04974	1.4
84.87563	0.6
85.02909	28.0
86.09732	1.2
87.00834	1.1
91.05486	1.3
103.03930	0.8
103.05416	0.6
105.03384	0.8
109.02861	1.9
109.10035	0.7
117.06990	0.9
119.04945	2.7
120.08179	0.8
121.02871	6.3
129.01886	1.4
129.05481	2.8
138.09489	0.6
145.02855	3.0
149.02354	2.3
154.72832	0.6
154.74503	0.7
163.03915	3.0
165.01846	7.8
167.03450	3.4
167.07039	5.7
173.05925	1.6
177.01831	1.9
181.04991	1.6
183.02893	1.8
187.03940	2.2
191.03363	0.8
195.02966	2.3
205.05034	1.9
215.03387	1.8
229.05006	0.8
233.04497	1.1
239.07007	1.4
243.02997	1.2
245.00171	0.7
256.07327	1.0
267.06525	11.7
270.05231	3.6
271.06064	4.4
277.08481	0.9
279.06549	2.4
281.08127	9.4
283.06012	55.4
284.06796	11.5
285.07541	1.0
287.70322	0.7
294.05203	1.0
295.06030	19.9
295.09668	4.2
296.06537	0.7
297.04138	1.4
297.07584	2.9
305.08105	5.0
307.06079	3.5
308.06818	4.9
309.04214	1.6
309.07550	25.7
311.05554	1.3
313.07065	100.0
314.07507	1.7
320.65152	0.7
321.07495	1.4
323.09137	24.0
324.09601	0.9
333.07547	10.6
335.05157	1.2
337.07065	41.7
338.07578	0.9
349.07037	1.8
351.08640	4.9
361.07010	11.4
367.08142	1.3
379.08133	41.7
380.08524	0.9
397.09180	4.2
415.10278	4.5
417.15598	3.6
421.09009	1.0
433.11331	1.3
439.10379	3.2
457.11224	2.1
465.08212	1.9
483.09238	35.2
484.09586	0.9
501.10294	37.1
519.11359	28.8
520.11249	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
57.03446	5.3
63.48823	0.9
68.99802	1.0
70.43939	3.0
71.04997	22.0
73.02864	0.9
75.04482	0.9
80.43343	0.8
81.03416	1.2
85.02909	26.9
86.09718	1.4
87.00901	1.1
91.05475	1.2
96.03249	0.9
109.02909	1.8
119.04935	2.5
121.02866	6.5
129.01819	1.0
129.05492	5.1
131.04962	1.1
145.02843	2.6
149.02359	1.6
159.04507	1.0
163.03915	2.5
165.01811	6.7
167.03380	2.3
177.01891	2.1
177.05362	0.9
183.02882	2.0
187.03941	3.2
191.03401	1.7
195.02979	1.3
215.03456	2.1
229.05026	1.3
239.06946	1.2
256.07452	1.1
267.06503	12.3
270.05240	3.6
271.06079	4.4
279.06528	1.4
281.08105	9.2
283.06039	48.7
284.06836	11.5
285.07434	1.2
295.06055	18.9
295.09671	4.1
297.04300	1.3
297.07678	3.0
305.08136	5.6
307.06094	3.5
308.06760	3.6
309.04141	1.4
309.07556	26.8
310.07913	1.1
311.05405	2.0
313.07071	100.0
314.07443	2.2
319.06104	1.1
323.05463	2.1
323.09122	25.2
333.07568	10.0
337.07050	43.2
351.08554	4.1
361.07159	10.7
367.08221	1.2
379.03253	2.1
379.08154	42.9
380.08392	1.0
397.09180	4.1
415.10464	4.6
433.11383	1.0
439.10229	2.5
457.11307	1.1
465.08234	2.3
483.09283	43.4
484.09406	1.1
501.10306	38.0
519.11389	32.4
591.02271	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16598	0.5
55.05505	0.6
57.03441	4.9
68.99782	0.9
69.03418	1.2
70.06598	3.8
70.29251	0.8
70.29601	1.9
71.04994	19.7
72.08156	1.1
75.04414	0.5
77.58303	0.6
81.03413	0.8
83.04991	0.7
83.43884	0.5
84.08147	0.9
85.02904	26.8
86.09703	1.7
87.00800	1.2
91.05471	1.0
97.02874	0.8
109.02872	1.5
117.84145	0.6
119.04955	2.7
120.08104	0.8
121.02853	5.4
121.64352	0.6
129.05452	3.4
134.35777	0.6
136.07558	0.7
141.01781	0.8
145.02838	1.1
147.04390	0.6
149.02354	1.2
163.03883	1.2
165.01837	10.7
167.03409	1.5
167.07019	6.0
173.05969	1.1
174.07124	0.6
177.01862	1.4
177.05472	0.9
181.04964	1.8
183.02890	2.8
187.03934	1.2
189.03911	0.8
191.03352	0.6
195.02966	0.9
205.04961	0.9
215.03270	1.0
233.04361	0.9
239.07037	0.8
243.02914	1.3
255.06445	1.0
267.06531	6.8
270.05188	2.1
271.06000	4.8
279.06802	1.6
281.08057	2.5
283.06012	100.0
284.06787	8.0
285.07510	0.7
293.08148	1.8
295.06021	10.0
295.09583	2.5
296.06653	0.8
297.04111	0.8
297.07333	0.7
305.08035	3.6
307.05997	2.3
308.06781	1.9
309.03906	2.0
309.07559	6.7
311.05505	1.1
313.07065	59.2
314.07361	0.8
321.07571	8.2
323.05710	0.7
323.09122	17.3
323.12918	1.2
324.09534	0.7
333.07645	4.5
335.05594	1.4
337.07104	5.4
349.07077	25.9
351.08667	3.9
361.07071	10.8
362.02585	0.6
367.08127	40.9
379.03241	1.1
379.08121	22.4
397.09180	18.0
415.10364	0.8
417.15625	3.1
457.11523	0.7
461.97601	0.7
483.09430	2.8
501.03177	1.3
501.10266	20.7
519.11389	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.6
57.07082	48.0
57.07344	2.0
70.73381	1.3
70.73713	0.7
77.03576	0.6
77.03960	0.9
91.04993	0.6
91.05491	6.3
95.04990	1.1
104.60796	0.6
105.06995	1.8
107.08510	0.7
119.08538	1.1
132.09331	0.9
147.11684	7.6
152.06209	1.7
153.06982	4.4
171.08029	0.8
178.91161	0.5
187.34303	0.7
215.02486	0.9
224.29636	0.6
228.09283	1.0
228.30067	0.6
229.10098	0.9
233.03642	7.3
251.02150	1.1
251.04701	14.7
267.05417	0.5
296.07962	0.6
307.10916	1.8
327.07831	100.0
328.08255	2.0
383.14096	65.8
384.14825	0.7
439.20386	59.2
440.20673	1.8
495.26663	70.8
496.26840	2.2
551.32892	93.5
552.32996	3.5
607.39142	56.8
608.39429	2.4
663.45258	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	665.171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.0
55.01868	0.9
57.03448	2.5
58.36082	0.5
59.11237	0.5
65.03948	0.5
66.50218	0.4
69.03439	0.7
70.06597	15.4
71.04997	15.8
72.08148	3.0
74.06097	0.7
81.03411	0.8
83.04969	1.3
84.04491	1.2
84.08134	0.5
85.02911	17.5
86.09707	5.6
87.04483	0.8
91.05485	0.7
97.02874	1.4
102.05547	1.0
108.08160	0.5
109.02888	1.2
112.08749	0.6
115.08677	0.5
117.38718	0.5
119.04956	1.6
120.08089	1.7
121.02879	5.2
123.00800	0.8
123.04419	0.6
127.03873	0.7
129.05502	2.6
132.22998	0.5
136.07590	0.7
137.06027	0.6
141.01799	1.0
145.02850	1.8
157.09645	0.6
161.05940	0.5
163.03862	1.7
165.01846	12.3
167.07031	1.6
171.11255	1.1
181.04970	1.1
181.09717	1.8
183.02890	3.0
183.11320	0.7
187.03879	1.1
189.01859	1.5
191.03375	0.7
199.10822	0.9
201.12431	0.6
203.03433	0.6
205.04907	0.7
213.13718	0.5
215.13924	1.2
229.04945	0.6
229.38100	0.6
231.02953	1.0
243.02943	0.9
243.13354	0.8
245.07683	0.5
255.06712	0.6
267.06552	1.9
270.05234	1.2
271.05994	5.9
279.06683	0.7
281.04843	0.5
281.07953	2.1
283.06030	100.0
284.06567	2.9
291.06516	0.6
295.06021	3.7
295.09290	0.9
297.03964	1.4
297.07623	1.7
299.05396	2.4
305.07956	2.4
307.06082	2.4
308.06711	1.2
309.03952	2.7
309.07596	7.6
311.05487	1.2
313.07068	13.6
321.07562	3.8
323.05585	0.8
323.09183	6.4
325.07333	1.1
333.07544	3.0
337.07092	8.0
349.07083	56.4
350.07346	1.3
351.08527	1.3
361.02551	0.6
361.07077	11.2
367.08145	5.8
379.08118	14.3
397.09210	9.0
415.10291	2.8
417.15512	1.1
453.08215	10.1
483.09161	7.9
501.10349	15.1
519.11365	41.3
543.79163	2.4
544.29449	0.7
676.32477	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02700	0.7
57.47962	0.6
70.72287	0.8
70.72635	1.4
104.02692	0.5
111.67907	0.6
130.28137	0.7
149.02354	0.8
178.68115	0.8
243.08513	1.4
264.04041	0.7
365.98438	0.7
400.08408	0.7
413.17596	0.7
427.24384	0.9
445.26138	2.2
446.18488	1.3
456.16971	1.1
458.17532	0.7
459.15247	1.9
471.18839	1.3
472.17148	0.8
474.17780	2.7
484.15863	0.8
496.26038	0.8
498.18762	0.8
499.18381	3.1
501.28305	2.5
524.16724	0.7
557.19501	0.9
558.19830	2.8
559.20551	0.7
561.22064	6.5
589.21704	1.4
621.24219	10.3
631.22876	5.1
635.34137	1.2
663.33746	100.0
664.34601	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	663.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03650	0.5
57.07061	0.5
67.05477	1.2
79.05495	0.5
81.07055	1.2
88.56901	0.4
91.05470	0.8
93.07046	0.7
95.01356	0.7
95.08585	0.4
95.48362	0.4
105.07037	0.7
109.10144	0.9
119.08511	0.6
140.23088	0.4
157.10240	0.6
209.10902	0.6
267.66104	0.5
305.05148	0.7
315.12097	0.4
333.13498	1.0
337.27158	0.6
377.17719	0.9
379.19632	0.7
381.20932	0.5
391.19577	0.9
405.17029	1.0
407.18411	0.9
420.19537	1.2
422.21146	0.6
435.18149	1.7
437.19717	1.2
448.18784	0.9
449.19556	1.2
450.20886	0.9
461.15848	1.0
462.21277	0.9
465.18655	1.0
470.16809	0.6
475.21271	1.8
476.18472	0.9
480.21643	0.7
484.20111	1.1
487.21384	0.6
497.16138	0.9
499.21021	2.2
500.19742	1.0
505.22418	5.2
509.19467	1.3
512.18304	3.2
527.20544	100.0
528.20831	3.9
531.20111	0.6
545.21454	0.7
549.21393	6.1
559.23218	17.8
560.22894	0.7
571.19702	2.1
581.23938	17.3
587.22925	3.7
603.21991	3.7
613.20880	0.8
631.21619	14.5
635.24542	2.1
663.24261	7.1
663.40942	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	9.7
55.01888	6.9
55.05514	40.1
57.03425	13.1
57.07067	7.5
65.03929	4.8
67.05507	100.0
69.07071	41.5
70.66997	5.9
72.45380	3.0
79.05495	88.2
80.26221	3.1
81.03399	3.4
81.07059	83.8
83.04964	10.3
83.08617	23.0
85.05127	3.2
85.06528	4.0
87.04482	33.1
87.27517	3.2
91.05480	62.6
93.07045	93.4
95.04961	5.6
95.08611	58.0
97.06512	10.4
97.10174	29.0
99.08054	4.0
102.28555	3.1
105.04509	3.8
105.07034	51.5
107.04938	7.4
107.08599	57.7
109.10148	30.4
117.07006	17.9
119.08581	34.9
121.06493	6.0
121.10146	30.6
123.11697	10.8
125.09602	23.3
129.07025	7.9
131.08560	23.3
133.10126	29.4
135.11664	13.5
143.08568	6.8
145.10124	26.7
147.11682	20.9
149.09605	15.1
149.13203	5.4
157.10150	4.9
159.11636	17.3
161.13263	10.5
163.11307	4.4
169.10118	5.4
171.11708	5.5
173.13229	9.2
179.14250	3.4
183.11562	6.0
185.13255	4.5
189.11223	13.9
197.13248	4.5
201.16354	4.4
227.12798	59.8
239.18004	5.0
257.18985	10.8
261.22125	7.5
275.20105	44.8
288.12967	3.7
293.21133	3.6
295.95465	3.7
335.25787	47.8
349.23721	36.1
430.34781	3.9
431.31503	5.4
484.05554	3.1
489.35596	5.4
495.26764	4.6
505.34735	5.8
513.39203	5.1
529.38794	5.3
546.41693	7.5
609.45160	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	2.3
52.97419	2.6
53.03941	7.9
55.01885	4.5
55.05515	31.0
57.03438	14.0
57.07075	10.6
65.03940	4.2
67.05510	90.0
69.03439	5.1
69.07073	35.2
69.46616	16.4
71.04987	5.1
79.05500	77.3
81.03412	5.1
81.07065	100.0
83.04981	10.7
83.08632	14.1
85.06561	2.7
87.04478	32.7
91.05489	55.1
93.07049	90.3
95.04963	12.4
95.08615	57.4
97.06531	10.3
97.10152	4.0
98.20777	4.7
99.08063	5.1
105.04485	3.9
105.07040	44.6
107.04935	5.9
107.08599	44.7
109.06470	4.2
109.10164	27.9
111.08079	6.5
117.07030	21.2
118.34612	2.2
119.08592	30.3
121.06478	6.0
121.10146	26.9
123.08070	3.5
123.11710	8.8
125.09639	2.6
126.99023	2.6
129.07010	6.3
131.08566	28.2
133.10138	27.7
135.08040	2.8
135.11681	24.7
137.09622	4.7
137.13257	2.4
139.11179	2.3
143.08568	7.1
145.10112	19.3
147.11678	16.0
149.09573	6.7
149.13304	17.5
157.10152	5.7
159.11673	16.7
161.13281	6.3
163.11230	3.6
169.10188	4.5
171.11661	6.5
173.11937	2.4
173.13287	10.8
175.14778	2.9
177.12813	3.8
178.65842	2.3
179.14281	2.4
181.12305	2.5
183.11717	2.7
185.13257	4.2
187.14827	2.3
195.13783	5.2
199.14853	2.7
201.16321	2.6
211.15053	2.3
213.16495	2.9
229.19461	3.6
239.17957	3.4
243.21040	3.6
247.20587	2.8
253.14404	3.0
255.15894	8.7
257.19073	7.0
261.22195	9.4
267.15817	2.6
269.17480	15.5
275.20074	30.7
277.21643	2.8
302.95840	2.7
309.20593	2.7
335.25809	76.9
349.23682	16.2
437.33722	2.5
439.20505	3.0
448.24066	2.4
515.37415	22.3
529.38940	78.3
569.41864	8.5
606.28302	2.9
609.45337	12.3
627.46619	3.4
662.44330	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	662.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72522	1.2
55.79608	1.3
57.07067	2.2
69.43335	8.9
85.85319	1.3
86.57887	1.3
87.04473	13.7
112.81889	1.2
151.14665	1.3
183.29288	1.2
251.08514	1.5
284.47504	1.3
299.35632	1.4
403.19278	2.2
415.19171	3.1
417.20895	3.1
431.18649	3.8
433.24091	6.6
445.20096	4.3
446.16971	2.7
447.17969	2.2
457.20309	1.5
459.15756	2.1
459.21857	36.3
460.22293	5.2
461.23349	4.4
473.23532	1.6
474.24094	1.5
475.21271	9.5
476.21854	2.1
487.24759	1.5
519.23798	4.8
531.23950	2.5
535.23224	3.1
545.25677	2.4
547.27374	17.7
563.25934	2.7
572.20996	1.6
590.24908	1.9
591.25568	2.6
593.23779	3.4
605.27350	5.7
606.28375	100.0
607.28320	7.6
622.27911	59.3
630.28101	1.8
662.29791	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57038	2.5
53.03941	7.5
55.01870	3.3
55.05504	12.4
55.73477	2.4
57.03440	23.4
57.07072	4.3
61.02932	68.2
61.41381	2.7
67.05508	35.1
69.03136	2.8
69.03436	29.6
69.07070	19.7
71.04995	4.2
71.48544	3.3
71.49258	2.9
73.02924	27.8
79.05510	16.5
81.03417	24.5
81.07070	42.7
83.05015	6.6
83.08610	9.8
85.02911	100.0
85.06531	3.8
87.04482	3.5
91.03959	55.9
91.05481	10.1
93.07046	19.2
95.04967	4.1
95.08614	33.2
97.02303	5.2
97.02901	77.7
97.10169	6.6
99.04469	14.2
101.02354	7.7
103.03941	10.4
105.07013	9.4
107.08578	9.8
109.02903	13.9
109.10171	14.3
111.04432	4.0
115.03906	3.9
119.08590	9.4
121.10146	11.5
123.11694	9.6
127.03916	30.4
129.05508	4.6
131.08588	3.1
133.10107	7.4
135.11729	6.7
137.13303	3.7
145.04935	18.3
147.11652	6.1
149.13214	4.2
151.14838	3.2
159.06624	2.6
159.11693	3.1
161.13258	5.4
163.05984	5.6
163.09309	2.8
163.14867	6.1
175.14873	3.3
183.06534	7.7
201.07585	10.1
227.26094	2.7
232.51830	2.7
245.22632	11.0
263.23679	18.3
305.24841	4.9
337.27393	88.9
350.66733	2.8
371.25525	5.0
386.13300	3.3
399.14377	4.6
400.15308	19.0
401.15933	2.8
413.15915	7.2
414.16788	8.0
415.17184	3.4
427.17572	5.7
428.18140	5.6
429.19293	15.7
430.19196	3.7
444.14365	5.3
455.17084	8.8
459.16257	4.0
463.30338	4.5
470.19113	2.5
473.18323	6.2
481.31363	5.3
484.17145	3.9
499.14417	2.8
501.17303	10.1
502.17984	5.7
539.19775	2.8
544.22803	4.3
560.22467	5.3
575.20978	3.6
588.22180	19.7
615.20679	3.8
633.25000	4.0
643.19879	10.6
661.24933	60.4
662.24945	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	661.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07087	1.2
70.67531	3.3
85.79154	1.1
98.21455	1.3
105.07024	1.2
107.82998	1.3
139.20557	1.5
144.60623	1.0
171.23145	1.1
172.42039	1.2
311.57501	1.1
401.16577	2.7
415.13992	1.6
417.16406	1.7
429.15387	7.1
430.16568	4.7
431.17014	5.2
441.15561	1.3
443.17590	1.7
444.18027	10.6
445.18726	4.0
453.16220	1.5
454.16705	4.8
455.17194	4.5
456.18137	3.3
457.14249	15.4
458.20511	1.3
467.17404	1.8
468.18002	4.3
469.19247	6.8
471.16815	4.5
472.17465	26.3
473.17953	2.2
481.15063	2.6
482.15350	8.8
483.17310	3.7
484.63538	1.7
495.16629	1.4
496.17834	5.5
497.18243	28.7
498.19220	3.7
500.17264	2.3
501.17569	2.3
514.19391	1.6
515.19391	6.0
516.20367	1.8
524.16968	2.7
527.18799	1.3
528.19812	1.4
531.22424	12.1
556.19556	30.3
559.21912	58.5
560.22382	4.1
569.20416	4.2
587.21490	6.8
597.19843	6.0
600.18933	1.6
619.24048	100.0
620.23999	5.8
629.22485	44.5
630.22601	1.9
643.24774	1.7
661.25195	88.1
662.25507	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	661.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10935	0.8
70.67735	1.1
70.68059	1.7
76.30688	0.8
132.04761	0.8
142.83836	0.9
159.47389	0.9
209.23543	0.8
379.12622	1.0
405.80722	1.1
410.13406	0.9
411.14468	1.2
413.15863	1.1
425.16016	1.4
440.19055	1.5
441.15347	1.9
453.15775	4.4
454.16608	5.2
455.17221	3.2
456.17984	2.6
458.15677	0.9
467.12039	1.2
467.17368	3.6
468.18756	6.7
469.19348	7.2
470.19717	1.6
471.20963	1.7
472.17746	1.6
480.18295	1.2
481.14243	4.5
482.15680	22.3
483.16080	5.3
484.20639	0.9
494.16132	1.2
495.17117	2.5
496.17499	12.3
497.18271	72.7
498.18787	5.5
499.16034	1.8
500.16614	1.1
509.18137	2.6
510.18961	2.6
511.19434	2.8
513.17731	2.9
514.18665	3.5
515.19360	4.1
524.16730	8.2
526.18610	0.9
528.20099	4.9
529.21069	2.1
537.17834	1.2
538.19568	1.1
541.17755	3.0
553.20789	2.1
555.18787	2.2
556.19562	66.2
557.19818	5.8
569.20294	10.8
570.20642	1.6
587.21356	3.2
597.19806	12.8
601.22955	2.9
629.22461	100.0
630.22614	5.6
661.24384	25.8
662.25317	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05516	1.0
74.98244	0.7
79.05498	0.7
81.07048	1.1
89.06027	0.7
93.07041	1.0
107.08572	0.7
178.73933	0.7
192.67914	0.6
398.13748	0.8
412.15128	4.1
413.16339	3.6
414.17950	5.9
415.18036	1.5
425.16043	1.4
426.16833	4.3
427.17715	8.5
428.18387	1.8
430.16406	1.1
432.19360	1.9
439.17749	0.8
440.18112	2.3
441.19345	8.6
442.20071	12.8
443.20538	1.0
455.20746	2.5
456.20944	5.0
457.14874	1.3
458.15793	1.6
459.20306	1.2
469.18796	34.5
470.18781	4.1
471.16696	4.0
472.17401	10.9
473.18188	5.3
474.18878	1.0
485.17902	2.9
486.18811	6.7
487.19675	2.6
494.15704	1.4
498.14920	1.0
498.22168	1.1
500.20551	3.3
501.21313	12.4
508.17020	1.7
509.17990	3.8
513.17761	2.6
514.17749	1.1
514.21729	1.1
515.22388	3.4
523.19928	1.3
524.20221	16.6
525.20630	3.6
526.21625	3.5
527.19586	3.2
528.20007	2.2
531.25256	1.0
541.20917	1.7
542.21057	19.2
543.21271	1.3
545.19940	2.7
546.20776	1.3
556.18921	2.2
559.21680	1.9
569.19733	1.3
573.23328	1.9
574.24182	100.0
575.24103	4.7
588.21985	1.0
592.24579	2.9
601.22992	6.4
602.23114	4.9
604.21344	2.0
617.29303	1.1
629.22351	4.2
633.25677	3.2
661.24524	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	661.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
69.12535	0.6
69.34720	4.2
81.07097	1.2
92.16702	0.6
95.08672	0.6
96.84071	0.6
98.20790	1.3
133.12996	0.7
216.04277	0.7
225.87589	0.6
337.24786	0.5
384.12524	1.9
398.13889	2.7
399.14609	10.4
400.14902	5.1
401.15640	0.8
412.15103	3.1
413.16068	19.5
414.16824	43.5
415.17136	12.2
416.17459	0.8
425.16162	1.4
426.16653	4.0
427.17691	15.2
428.18350	31.8
429.18753	21.0
430.18115	1.4
439.17813	0.9
440.18359	3.5
441.19336	9.1
442.19971	14.6
443.14218	1.6
443.20633	30.4
444.15353	1.0
444.21161	6.1
452.18375	0.7
454.15707	1.7
455.21002	3.6
456.21399	4.8
457.15070	2.8
457.21066	0.8
458.15677	9.7
459.16211	0.9
468.17157	2.9
469.18567	13.7
470.18417	3.0
471.19501	1.9
472.16989	4.0
473.18100	3.8
480.14221	1.6
481.14304	3.4
482.15063	3.4
483.19910	1.7
486.18982	1.6
487.19717	11.2
488.20493	1.7
495.16196	3.1
496.16885	9.4
497.17889	1.8
498.15060	0.9
498.22235	1.2
500.20084	1.3
501.21042	0.9
509.18179	1.8
510.18686	5.4
511.19272	5.6
513.17786	7.7
514.18073	1.8
515.22913	1.4
523.20056	0.9
524.19818	2.3
525.21509	8.2
526.21649	51.0
527.21631	3.9
530.25323	15.7
531.25336	1.4
541.21002	1.9
555.22626	0.9
556.22968	9.4
557.24011	46.9
558.24243	100.0
559.24066	6.4
574.24261	46.2
575.24396	3.3
589.26782	1.7
601.22791	3.8
602.23218	32.2
603.22754	2.2
604.21356	1.0
615.24597	5.3
617.25348	3.3
629.22894	1.3
633.25244	1.7
643.23999	19.0
644.24286	0.9
661.24768	21.6
662.24048	1.5
673.06232	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
65.36504	0.5
70.65987	0.7
70.66306	0.8
80.26111	0.5
89.98073	0.5
98.66158	0.5
102.27550	0.5
104.22646	0.5
115.23096	0.5
123.23142	0.5
143.08633	0.6
170.06102	0.6
205.07394	0.6
370.10599	1.6
383.11807	0.9
384.12216	3.6
385.12979	11.5
386.13745	4.2
394.11795	0.6
397.13010	2.0
398.13693	5.9
399.14529	17.5
400.15356	50.4
401.15869	3.1
410.14017	0.9
411.14600	1.8
412.15381	5.9
413.16089	14.5
414.16901	16.1
415.17810	3.3
416.15002	0.9
417.16583	0.8
418.17621	1.3
421.18619	0.5
422.14236	0.7
423.14365	0.7
424.15533	1.1
425.16122	1.8
426.17453	2.6
427.18018	10.0
428.18549	12.7
429.12650	1.6
429.19278	37.9
430.12949	0.8
430.19650	1.3
439.13654	0.8
440.14813	1.8
441.15189	1.9
441.19650	2.0
443.13400	5.1
444.14200	10.0
445.14227	0.6
445.19757	0.8
447.20242	1.7
453.15826	0.6
454.16364	1.7
455.10806	0.8
455.17123	15.1
455.23087	0.9
456.18149	5.4
457.14105	3.7
458.15576	5.8
459.16696	4.4
466.12213	0.9
467.13321	1.6
468.14572	0.8
469.14240	0.9
469.19366	0.7
470.20718	0.8
471.16333	1.8
472.17578	7.0
473.18329	17.6
474.18823	0.9
481.15073	2.0
482.15747	1.9
483.16724	12.6
484.16379	0.8
484.22653	0.7
486.19205	1.1
487.15332	3.7
488.16809	0.8
495.16730	2.9
496.17154	1.1
497.18729	0.9
499.16171	2.1
500.17090	1.1
501.17615	8.6
502.23087	6.3
509.14484	1.4
510.15414	0.8
511.20004	1.1
512.20215	1.0
513.17444	0.9
514.18494	1.1
515.01221	0.6
523.16138	3.0
524.17041	0.9
527.15485	6.4
528.17700	0.6
529.20996	5.3
530.21686	26.8
531.21484	0.9
537.18024	1.5
539.19281	18.3
540.19623	11.1
541.17590	2.3
542.16919	0.8
545.19867	0.7
546.21136	13.0
556.19128	1.7
557.20367	31.2
558.20654	5.5
559.18597	3.0
561.23560	4.7
570.17163	1.5
571.22137	1.1
573.19946	7.9
574.20630	100.0
575.20813	3.7
583.18427	0.9
584.19135	1.1
587.21124	1.5
589.22968	4.9
601.19354	10.2
602.19635	5.2
605.22485	4.0
615.20996	14.0
616.21075	1.3
617.22449	6.7
618.22406	0.7
633.22223	6.7
643.20392	27.4
644.20776	1.5
661.21362	8.1
661.31262	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
60.78715	1.1
69.03423	1.7
70.33247	4.8
71.48578	1.3
82.99840	2.7
85.01389	1.2
87.90327	1.1
89.03922	2.2
94.99835	1.5
97.02902	4.2
101.00889	20.5
107.04939	1.3
109.02876	3.4
113.00873	7.3
114.42899	1.1
117.03354	2.8
119.01920	15.8
127.02451	4.4
131.01915	13.3
135.04413	7.3
137.00821	1.6
139.02377	3.0
143.00854	2.4
143.01903	32.2
145.02615	2.5
145.03455	10.0
147.01338	1.4
155.00635	2.7
155.01900	48.3
157.03471	9.6
161.02988	20.3
163.03911	99.5
164.04231	1.4
167.01935	11.6
169.03500	5.8
171.05086	2.8
173.02977	62.6
175.04539	1.7
179.01894	5.6
185.01256	1.8
185.02960	40.6
187.04552	3.1
191.01790	1.5
193.03351	2.1
195.05043	1.6
197.02969	13.2
197.38965	1.4
199.04523	2.0
203.01926	8.5
203.04004	13.8
209.03008	3.4
215.03987	11.7
217.01848	2.0
221.02968	96.5
222.03342	1.3
227.04022	8.9
233.05051	1.6
239.04008	11.2
245.02882	14.1
245.05095	78.2
246.05264	2.2
246.57861	1.3
247.04501	9.0
247.06781	1.2
257.03006	2.1
257.05145	23.0
263.03903	35.7
263.06177	4.8
270.63794	1.3
271.04755	1.3
273.04550	4.9
275.03888	10.5
275.06540	15.5
277.05792	1.5
281.05084	100.0
282.05307	2.9
291.05621	4.7
293.04703	7.8
295.06570	2.9
299.06329	10.4
301.04126	2.0
305.07413	8.5
311.06155	10.9
317.04984	7.9
319.02353	7.2
323.06125	26.7
335.05710	6.5
347.06116	4.4
353.06982	3.4
365.07034	47.3
379.05081	21.5
383.08224	46.9
383.12268	1.0
384.08743	1.8
391.04984	5.5
397.06097	8.5
408.74405	1.2
409.06079	3.8
421.06332	3.0
439.07092	7.1
481.08466	5.0
499.09384	12.4
545.13580	8.4
661.14813	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	660.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35187	0.8
53.03956	1.0
55.01879	1.0
55.05517	7.1
57.03182	0.7
57.03439	3.6
57.07063	0.9
61.02913	3.3
61.07214	0.8
61.79774	0.8
65.03931	1.3
67.05510	29.3
69.03442	1.0
69.07080	8.9
69.80317	3.4
71.04987	1.3
72.02057	0.8
73.02930	0.9
73.08252	0.8
73.87508	0.8
79.05073	1.6
79.05501	18.9
81.03428	2.3
81.07060	36.6
83.04970	2.7
83.08621	8.5
85.02918	3.9
85.06501	1.1
90.04992	0.8
90.35680	0.8
91.03982	1.4
91.05481	12.8
93.06488	1.8
93.07052	28.6
95.04961	1.9
95.08626	9.8
97.02898	1.4
97.06531	4.5
97.10162	0.9
99.08080	1.4
105.07034	6.2
107.04960	1.4
107.08614	14.3
109.06560	1.3
109.10175	2.6
110.34884	0.8
111.08085	2.4
115.44539	0.8
117.07043	5.0
119.08592	4.6
120.84077	0.9
121.06507	1.2
121.10162	7.4
123.11732	2.4
129.07004	2.0
131.08604	7.7
133.10144	8.3
135.08055	1.3
135.11702	4.1
142.51036	0.7
143.08560	1.6
145.10127	2.5
147.11699	1.7
149.09637	0.9
149.13255	11.6
157.10170	1.2
159.11685	5.3
164.66635	0.8
169.10199	1.1
176.82358	0.9
177.12827	2.3
181.10089	0.9
195.13860	6.7
229.58478	0.8
251.16608	1.5
269.17511	27.0
353.24698	1.3
377.39392	1.0
389.26999	1.3
427.28387	1.5
445.29517	12.0
463.30576	100.0
464.30911	2.9
481.31778	1.3
607.34656	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.7
55.01853	0.7
55.05516	5.9
57.03445	5.2
57.07078	1.4
61.02920	2.9
65.03926	1.1
67.05511	31.5
69.07072	9.2
69.14900	1.9
69.15305	6.2
71.04980	2.7
79.05074	1.3
79.05500	18.8
81.03416	2.6
81.07062	41.1
83.04976	3.7
83.08633	8.9
85.02928	3.7
85.06531	2.5
91.03957	1.2
91.05486	13.0
93.06493	1.7
93.07052	25.7
95.04976	2.7
95.08622	10.4
97.02911	0.9
97.06535	4.9
97.10133	1.4
99.08078	1.1
105.04488	1.0
105.07047	7.1
107.04940	0.9
107.08611	15.6
109.06516	1.0
109.10154	3.2
111.08092	3.5
117.07007	6.0
119.08596	5.8
121.06519	1.9
121.10155	7.9
123.11713	2.2
125.09650	1.2
128.06154	1.0
129.06982	2.1
131.08571	7.0
133.10147	8.4
135.08075	2.1
135.11685	5.9
140.31244	0.9
143.08530	2.0
145.10110	2.8
147.11641	1.0
149.02362	1.2
149.13290	12.4
151.11211	1.4
155.08572	1.0
157.10114	1.2
159.11705	7.7
169.10118	1.5
171.11670	1.4
173.13194	1.1
177.12726	2.9
181.21190	0.7
183.11659	0.8
185.13298	0.8
193.05016	0.7
195.13763	6.3
197.13277	0.8
213.14825	1.2
237.07596	3.2
251.16510	2.1
269.17508	25.1
335.23557	0.7
346.45096	0.9
349.16962	1.1
353.24701	2.8
371.25739	2.2
389.26715	1.5
413.21808	1.0
445.29504	17.8
463.30585	100.0
464.30737	2.4
481.31985	1.8
607.35266	4.0
661.15082	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	660.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
55.01873	1.3
55.05516	17.3
57.03446	0.6
57.07080	5.7
61.02919	1.2
67.05515	4.3
69.03081	0.7
69.03432	6.8
69.06736	1.0
69.07076	11.4
70.06580	2.0
70.93504	1.2
70.93859	0.8
71.04985	0.8
71.08648	1.3
73.02901	0.8
73.06555	2.1
79.05487	1.1
81.03417	5.3
81.07056	6.4
83.08625	34.0
85.02912	12.3
86.09696	0.9
87.00831	5.6
87.04465	3.0
89.06036	63.2
91.05481	0.6
93.07040	0.6
95.08614	6.3
97.02891	5.0
97.10177	11.0
99.04450	1.9
100.35682	0.6
105.01880	2.6
105.07024	0.5
107.07066	1.1
107.08573	0.7
108.93327	0.6
109.02898	4.8
109.10175	4.8
117.01834	0.8
121.99926	0.5
123.11739	0.6
127.03936	6.4
133.08611	30.6
136.72897	0.6
139.14845	1.1
145.04950	2.4
151.09624	1.8
159.02846	2.9
163.30394	0.6
177.11240	7.5
193.08652	0.7
195.12315	1.0
221.13895	2.0
227.20058	4.0
231.05031	1.5
238.10741	0.5
239.14888	25.5
250.10744	0.7
251.11485	0.9
260.50934	0.6
271.22668	3.1
279.11307	0.8
309.12158	0.6
333.26367	1.4
337.11606	1.0
338.12405	0.7
371.16064	0.7
377.29001	100.0
378.29233	2.6
395.30078	13.0
518.18823	0.8
519.19733	3.2
520.20447	0.8
521.21246	3.0
637.05121	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.01867	1.8
55.05516	15.6
57.03440	1.0
57.07080	5.0
61.02921	1.0
65.41375	0.4
67.05503	4.6
68.99787	0.9
69.03429	5.3
69.06730	0.9
69.07076	10.6
69.65182	0.5
70.06598	1.2
70.29762	1.8
71.04984	1.2
71.08643	0.9
72.08162	0.5
73.02924	1.2
73.06555	0.9
79.05499	1.0
81.03417	4.9
81.07064	6.0
83.08622	31.3
84.08154	0.5
84.08974	0.5
85.02909	12.9
85.06509	0.7
86.03462	0.4
86.09698	1.1
87.00832	5.1
87.04483	2.6
89.06035	62.6
91.05490	0.9
93.07051	0.8
95.08612	7.8
97.02903	3.9
97.10176	10.6
99.04459	1.9
100.58228	0.5
105.01870	3.0
105.07030	0.9
107.07069	1.4
109.02887	4.8
109.10165	5.4
117.09193	0.8
120.08089	0.5
121.06561	0.7
123.11723	1.5
125.09631	0.8
127.03931	6.9
131.04916	0.5
131.07092	0.6
133.08611	29.7
135.08035	0.5
137.05945	0.6
139.14812	0.5
145.04971	2.1
151.07668	0.5
151.09644	2.2
159.02881	2.3
165.16426	0.6
177.11244	7.4
183.17528	0.5
193.08621	2.1
195.12309	1.8
221.13899	2.1
227.20081	3.8
231.04942	1.2
239.14899	21.8
239.17366	1.1
271.22687	2.7
333.26187	0.9
377.29001	100.0
378.29657	2.2
395.30045	16.3
617.27533	0.7
660.26996	0.7
661.28223	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35620	1.3
52.67350	1.5
53.03949	6.8
55.01878	3.3
55.05509	9.8
57.03445	20.8
57.07062	2.5
61.02934	87.7
63.76120	1.7
65.03931	2.5
66.20023	1.6
67.05513	41.4
69.03089	2.4
69.03440	35.1
69.07073	11.3
71.01347	4.4
71.04996	5.9
73.02924	31.0
79.05493	26.5
81.03424	22.2
81.07063	38.6
83.04969	4.7
83.08618	4.4
85.02914	100.0
85.06516	1.6
87.04478	4.8
91.03962	58.5
91.05486	15.1
93.07048	29.0
95.04962	5.0
95.08608	31.0
97.02901	80.2
97.06515	2.8
97.10160	2.3
98.21531	2.9
99.04460	15.7
101.02395	7.5
102.09151	1.7
103.03939	5.6
105.07047	13.1
107.04984	2.1
107.08608	13.5
109.02900	11.1
109.06519	2.3
109.10156	11.7
111.04440	2.7
111.08104	1.9
115.03967	7.5
117.05509	3.6
117.07025	6.0
119.08579	10.5
121.10169	17.9
123.11713	4.2
127.03935	34.4
129.05482	5.3
131.08563	10.2
133.10159	7.9
135.11703	10.4
137.09511	1.7
137.13254	3.0
141.05533	1.6
145.04973	24.9
145.10143	8.1
147.11702	6.5
149.09738	1.8
149.13257	7.2
155.08513	1.9
159.06479	2.6
159.11728	6.5
161.13307	6.1
163.06044	5.9
163.14822	3.0
169.10060	2.3
173.13245	5.4
175.14818	1.8
181.93834	1.5
183.06546	6.0
185.13329	2.4
187.14882	2.5
195.11653	1.7
201.07581	2.7
221.71225	1.6
243.21230	3.3
259.20551	2.5
261.22116	14.6
266.19897	1.6
275.20041	1.7
277.21805	1.6
327.23068	1.9
335.25827	63.3
341.24844	1.9
363.25165	1.9
365.72137	1.7
369.24399	3.7
401.15479	2.0
439.12354	1.6
443.27762	2.7
455.14609	2.0
461.28979	2.0
470.18243	2.0
479.30103	8.8
483.14777	1.7
496.16284	2.0
497.16248	2.7
497.31149	2.3
498.16724	9.4
513.19330	4.7
529.15820	2.6
544.22253	3.1
571.23193	2.2
572.22278	12.8
599.23035	3.3
600.23206	14.5
631.25305	2.8
659.23865	17.5
659.36261	3.3
660.25488	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	659.271
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72255	1.1
59.36972	1.1
61.34791	1.3
70.06596	1.4
70.12077	3.6
70.12494	2.5
79.05483	2.2
91.05460	1.2
93.07055	1.3
94.06556	4.5
106.06560	7.7
108.04485	1.4
108.08099	3.8
116.04999	3.2
118.60030	1.1
120.04475	3.0
120.08098	2.2
122.06057	5.8
123.88732	1.3
134.06029	15.8
136.07570	4.8
140.27986	1.1
144.04471	3.7
146.06026	17.3
148.07617	1.9
150.05576	1.4
160.03926	2.1
162.05515	5.3
164.07074	6.2
172.03926	14.0
174.05496	3.7
176.07047	4.2
184.09872	1.4
190.04991	10.5
196.10031	1.7
197.10744	3.8
198.09116	1.3
199.08766	1.8
199.12329	3.3
200.89113	1.1
204.06607	16.6
209.10750	3.0
211.08623	3.4
211.12302	1.9
212.09386	2.6
213.10300	1.8
215.11667	1.2
222.08125	1.6
223.08727	3.1
224.09416	1.9
225.10286	12.1
226.10889	1.9
227.11800	15.0
233.26761	1.2
235.08585	1.8
236.09305	1.5
237.10159	5.7
238.11049	2.8
239.11821	6.3
241.09616	1.6
243.11314	3.0
249.10266	3.3
250.10947	1.5
251.11841	2.6
252.08928	2.3
253.09744	6.2
255.11278	5.1
264.08960	2.1
265.09793	5.7
265.12778	1.2
266.10648	2.1
267.11343	5.3
269.12894	17.5
271.10788	12.3
281.09384	1.4
281.12820	2.9
283.10843	4.6
284.11664	2.7
285.12323	4.0
286.13010	1.5
287.13925	24.1
288.14365	1.8
293.09290	3.1
295.10828	3.8
297.12396	4.7
305.09161	1.6
313.12076	2.8
314.12930	2.3
316.14502	2.3
323.10342	16.7
325.11896	3.5
328.10886	2.5
328.14413	2.1
330.12360	1.6
330.16025	1.9
331.16846	1.9
341.11414	2.4
342.12500	5.7
343.13257	2.5
344.13943	2.4
355.12964	3.5
356.13983	5.8
357.14450	1.7
358.15509	3.3
361.40729	1.2
370.15515	5.1
378.18018	2.3
382.11893	2.9
383.12601	2.5
384.13199	3.0
385.14337	1.4
386.14804	3.0
390.18298	1.6
398.14856	12.2
399.15829	17.1
400.16534	2.1
404.15915	3.4
412.16684	1.9
414.18207	2.6
416.16119	11.8
418.17368	1.7
428.16074	2.1
430.17627	4.5
440.15793	3.5
446.17090	5.9
458.17142	25.3
490.19547	5.6
537.25238	2.0
563.22638	3.3
565.24359	5.3
567.22351	6.3
581.15613	1.5
581.23956	17.6
581.53833	1.3
591.22369	10.4
597.26776	4.9
609.23486	100.0
610.23334	3.7
613.26984	1.9
623.24341	2.0
641.26166	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	659.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
55.01866	1.6
55.05506	2.8
56.17466	1.5
57.03438	3.3
59.36499	1.4
61.02925	9.1
67.05510	8.0
69.03430	4.7
69.07065	3.2
71.09626	2.7
71.09973	2.1
73.02921	3.8
79.05491	5.3
81.03421	5.2
81.07072	8.2
85.02914	12.0
91.03950	6.9
91.05480	2.4
93.07048	6.1
95.08605	3.5
97.02891	8.3
97.06560	1.6
103.03928	2.2
105.07050	2.3
107.08591	3.6
108.04462	2.9
109.10181	1.9
119.08588	2.1
121.10139	2.8
127.03918	5.5
131.08611	3.6
133.10121	2.2
134.06094	2.0
135.11726	2.1
145.05011	2.0
147.11710	2.5
149.61153	1.9
156.08023	1.7
169.07545	2.2
172.07501	1.9
175.08578	1.7
187.08707	2.1
196.09953	4.4
197.10774	4.8
199.08708	2.7
199.12247	1.9
199.33685	1.8
201.10358	2.7
202.99751	1.6
209.10724	4.0
210.11543	4.7
211.08641	4.1
211.12437	3.0
213.10117	3.2
223.08557	4.3
224.09433	5.4
225.10300	11.6
225.13846	14.6
226.10983	2.6
227.08144	5.9
227.11752	4.6
235.08669	2.3
237.10289	5.0
238.11044	5.7
239.08299	3.1
239.11792	9.2
240.12537	4.7
241.09744	4.9
241.13339	4.0
251.11739	2.0
253.09634	2.7
253.10281	2.7
253.13368	59.9
255.11293	4.7
261.22159	4.2
281.09161	2.1
283.10858	4.7
285.12509	2.1
288.11063	2.0
291.15039	2.3
302.12729	3.4
306.38416	1.4
313.12018	3.0
315.09976	1.8
315.13589	2.2
316.14365	2.9
317.15784	1.8
328.10706	2.5
329.15649	1.5
330.12387	3.6
330.16061	2.9
331.16733	8.1
335.25821	9.3
343.13297	1.8
344.17560	2.3
346.11938	3.1
346.19165	13.3
356.13922	2.4
358.15558	4.3
360.13287	6.7
372.17209	3.7
374.14725	2.5
374.18686	5.0
375.15683	7.1
390.18231	27.8
399.14648	2.5
400.16333	12.2
402.14529	3.0
407.15991	1.7
413.15857	2.9
414.17230	2.1
417.16412	1.8
418.17798	8.0
421.12814	4.6
422.13708	4.7
423.14606	5.1
424.15118	2.7
428.17740	2.0
429.19122	4.9
434.21158	9.7
435.13904	3.3
436.15198	5.4
437.15878	9.5
440.15323	1.9
442.15506	2.0
443.27005	1.8
449.15982	2.8
450.16888	3.1
451.17581	7.6
452.18701	2.9
456.17422	2.2
460.18671	5.2
461.17670	1.7
465.19690	2.2
470.15021	2.6
478.19870	53.1
480.18015	2.8
481.14774	2.4
481.22473	4.3
482.23895	2.2
483.16501	6.1
484.16818	5.1
485.16925	2.8
489.17279	1.8
493.18283	8.2
494.15750	2.3
495.16537	3.3
495.23962	2.5
496.16623	3.5
498.14862	2.1
503.20981	3.4
507.20035	5.2
508.17642	3.9
509.18182	3.4
511.16165	3.7
512.16534	14.4
513.17981	1.9
513.25476	1.9
519.15918	2.5
521.18530	6.5
522.15094	2.5
523.23346	2.5
527.26538	19.4
529.15656	3.7
531.19434	2.5
537.24622	5.6
539.18488	3.9
540.18958	7.5
543.22150	2.2
549.21326	8.5
551.19165	4.3
553.20734	6.4
555.26099	28.7
563.22601	2.6
565.24200	4.7
567.19196	2.1
571.21954	6.6
572.22363	8.3
581.20013	28.9
582.20508	2.6
583.25574	26.1
591.22968	4.2
595.17902	2.2
597.26917	3.0
599.24060	37.2
600.21112	7.7
609.23853	9.0
613.22961	19.1
615.27850	6.0
623.24609	5.5
627.21259	11.3
631.23578	4.9
641.25385	100.0
642.24170	5.6
659.23627	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	659.2355
Annotation	Xyloccensin T
Peak:m/z	Relative Intensity
60.76819	0.6
61.02920	0.5
67.05522	1.0
70.06596	1.3
70.87940	1.0
70.88284	0.8
78.74249	0.5
81.03404	0.7
81.07049	0.9
85.02908	0.8
88.07652	0.9
89.98724	0.5
95.08627	0.8
102.09194	1.1
105.07007	0.7
149.02373	2.7
176.77704	0.5
193.05008	1.7
194.05443	0.6
208.43593	0.5
215.47662	0.5
226.95253	0.5
237.07898	0.6
256.26520	2.1
257.26636	1.2
295.13025	0.8
313.13943	1.4
381.66125	0.5
385.08914	0.8
400.15506	0.6
413.16452	1.0
422.13541	0.7
425.16458	0.6
426.13275	0.7
427.14319	1.9
429.11890	1.4
430.16760	0.6
437.16522	0.5
439.13766	0.7
440.14835	1.4
441.15720	1.9
442.16531	1.1
443.17480	0.8
453.15778	2.2
454.16769	0.6
455.13712	1.8
456.18558	0.7
465.15750	1.0
467.12524	0.7
467.17706	0.9
468.14920	1.1
469.14764	4.8
470.15552	0.8
471.16528	2.8
481.15622	0.6
483.12585	1.4
483.17090	1.6
484.17233	2.0
485.18274	1.2
493.15195	0.8
495.17111	2.5
496.13565	0.8
497.14749	3.2
497.18991	2.0
498.19406	1.4
499.16312	0.6
501.17075	0.6
507.17053	0.7
511.16446	2.0
512.17053	8.6
513.17798	12.3
514.18707	1.3
521.17834	0.9
525.17780	17.2
526.18335	2.2
529.16992	0.7
539.20056	2.8
540.16797	0.8
543.18488	0.6
553.18030	0.9
557.20642	3.6
567.18768	1.8
571.21710	0.8
585.20270	0.9
599.21460	15.4
600.21521	1.0
601.19519	0.9
617.22595	4.0
627.20807	12.7
631.22980	0.9
640.23395	0.7
658.35529	1.4
659.23566	100.0
660.23907	4.8
660.96472	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2351
Annotation	Xyloccensin T
Peak:m/z	Relative Intensity
53.97184	0.5
81.07048	0.7
106.96120	0.5
238.14709	0.6
271.89487	0.6
385.13129	1.6
386.13861	1.2
396.13425	0.9
397.12924	0.7
398.13547	1.2
399.14651	2.6
400.15338	7.0
401.15784	1.4
407.11234	0.7
408.12213	1.8
409.12906	0.9
410.14789	2.0
411.15060	1.6
412.15216	1.4
413.15985	2.5
414.17178	3.7
415.16867	0.8
421.12988	3.4
422.13815	6.3
423.14584	6.3
424.15506	1.3
425.16284	1.4
426.17429	1.0
427.17657	1.6
428.17084	1.3
429.19473	4.0
434.13989	0.9
435.14517	4.8
436.15411	7.2
437.10858	0.7
437.16257	13.5
438.17599	3.2
439.18240	1.2
440.14929	1.0
441.15717	2.1
442.16565	0.7
449.16266	1.5
450.17755	3.7
451.18469	7.0
452.19257	4.1
455.17413	2.2
456.17831	2.3
457.18149	1.2
463.14133	1.6
464.14374	3.7
465.15463	4.3
465.19952	2.8
466.15793	1.1
466.21057	1.1
467.17416	3.3
468.18253	0.8
469.14789	1.5
470.15759	0.9
477.15747	1.8
478.16513	4.5
479.17480	5.0
480.18369	5.3
481.15109	2.5
481.19785	1.3
482.15952	2.4
483.16431	4.4
484.16772	4.5
488.16431	0.8
492.21860	0.7
493.19061	10.8
494.15942	3.1
494.19565	2.4
495.16467	6.7
496.17303	4.0
497.14334	0.6
497.18054	0.7
498.15106	3.9
506.16498	1.7
507.16309	2.7
508.17514	8.9
509.18365	6.5
510.17950	1.2
511.20987	3.0
512.16718	12.6
513.17151	0.8
515.19421	0.7
516.24036	1.5
521.18274	13.6
522.16058	5.6
524.16614	1.1
525.21246	1.9
526.15399	2.2
529.16443	0.8
537.17126	0.8
538.18622	0.8
539.19147	3.1
540.19708	7.0
543.22467	3.3
549.18060	1.5
552.19934	0.7
553.20880	21.3
567.18970	0.7
571.21863	3.8
572.22345	6.9
581.20349	58.5
582.20660	3.2
597.27124	0.8
598.20715	1.1
599.21094	22.5
600.21600	6.5
609.19800	1.6
613.23022	23.8
614.22961	1.3
615.28308	3.7
622.23090	2.7
627.22083	2.3
631.23944	4.0
641.22461	100.0
642.22839	6.2
659.23383	28.7
660.23584	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23709	0.5
55.13531	0.5
65.12077	0.5
67.05524	1.3
69.71348	3.0
70.06590	0.9
75.46896	0.6
81.07084	0.6
86.09731	0.6
98.21535	0.7
119.08640	0.7
129.07027	0.7
130.35422	0.6
242.63219	0.6
270.23175	0.5
277.59262	0.7
375.15707	0.7
387.74261	0.6
453.15424	0.9
455.17996	0.6
465.15689	1.3
466.16492	0.9
467.17230	1.9
467.96783	0.6
479.17767	0.9
480.18164	1.5
481.18674	2.2
483.16861	1.2
484.16379	0.9
493.14792	1.0
494.15460	2.8
495.16498	3.9
496.17450	1.4
497.18338	3.7
498.19003	1.6
507.16696	1.3
508.17001	3.4
509.18353	13.8
510.19077	5.9
511.16150	1.1
512.18494	1.8
513.19672	3.5
521.18091	0.8
522.18915	1.8
523.19885	12.9
524.20734	11.6
525.17969	0.7
526.18640	3.1
532.90240	0.6
537.21039	7.3
539.16205	0.5
541.21124	2.1
551.19104	1.3
554.18500	0.8
555.18707	0.8
556.19666	1.3
568.19501	1.9
569.20398	24.9
570.20215	1.2
582.21075	2.5
583.21985	1.2
587.21332	8.9
600.22485	1.3
627.21118	2.8
628.21698	13.6
629.20123	1.3
641.22223	3.8
645.22089	0.8
646.22296	0.7
659.23596	100.0
660.23767	5.7
677.25037	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	659.2339
Annotation	Xyloccensin T
Peak:m/z	Relative Intensity
55.05502	3.7
57.03422	5.8
61.02933	14.6
61.44359	1.7
67.05511	9.3
69.03418	4.9
73.02914	5.5
79.05476	6.9
80.59928	1.7
81.03398	4.7
81.07069	11.3
83.08627	2.1
85.02915	15.0
89.37337	1.9
90.99627	1.8
91.03971	12.7
91.05461	3.8
93.07037	7.5
95.08598	7.0
97.02902	14.3
99.04424	3.4
99.85799	2.1
103.03919	2.3
105.07037	3.8
107.08601	2.9
109.02892	2.8
109.10147	3.6
121.10114	3.0
127.03929	6.3
131.08589	1.9
133.10144	3.1
135.11723	4.1
145.04950	2.8
159.11679	2.6
165.46506	1.6
183.06497	2.4
210.11513	4.0
211.08620	2.2
212.09482	2.4
217.15796	1.9
224.09383	2.4
225.10345	4.4
225.13875	2.7
227.11761	2.5
232.12219	1.9
237.10219	2.9
238.11026	3.1
239.11723	3.2
240.12416	1.9
241.13344	3.4
244.18314	1.7
253.09703	2.4
253.10722	2.9
253.13364	30.0
335.25812	15.5
346.19089	4.2
374.18878	3.6
375.15717	3.6
390.18219	10.4
398.13934	4.1
399.14316	5.1
400.15530	11.3
401.16043	2.8
412.15244	5.0
413.15897	5.3
414.16644	7.3
418.17557	6.0
421.13025	2.7
422.13608	5.1
423.14462	5.7
424.16129	2.4
427.17743	2.9
428.18253	3.5
429.19080	3.5
434.14871	2.2
434.20581	2.3
435.14481	3.8
436.15240	5.7
437.16586	12.2
441.14871	2.9
442.16391	2.8
450.16995	4.1
451.17737	5.7
452.18015	3.1
456.17847	5.7
457.17801	2.8
464.14566	4.4
465.14822	2.3
478.20160	21.2
479.16928	3.4
480.17361	5.2
481.15067	2.1
482.15271	2.9
483.16568	5.6
484.16946	6.4
493.19202	8.9
495.16644	7.6
496.17358	3.0
498.15128	3.3
507.15924	2.0
508.17221	5.7
509.18375	4.1
510.14713	2.5
511.15421	5.4
511.20651	2.8
512.16382	15.1
521.17822	11.7
522.14581	2.7
525.16785	2.5
527.26337	6.6
535.15948	2.5
537.24945	2.6
539.18842	9.2
540.19598	11.0
543.22137	5.8
551.19250	6.4
553.21075	15.8
554.25531	2.5
555.26068	14.4
571.21875	8.4
572.22278	10.2
581.20062	42.2
582.20715	3.0
583.25293	10.5
591.21539	2.6
595.18146	2.4
599.20648	36.8
600.21417	10.4
613.22919	29.7
622.22479	2.4
627.20850	17.5
631.23462	5.9
641.22607	100.0
642.22607	6.0
659.23248	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	658.38
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.1
67.05509	3.6
70.06590	3.3
70.98924	4.5
73.37135	1.4
79.05506	2.4
81.07059	2.4
83.08645	1.5
86.09714	1.8
91.05493	2.5
93.07075	2.6
95.08605	2.4
105.07048	3.7
107.08614	1.5
117.07029	1.8
119.08573	2.4
120.08105	1.8
124.58059	1.5
127.03926	1.5
129.07033	2.3
130.73370	1.5
131.08580	2.5
143.08490	1.6
369.24042	2.6
387.24936	1.7
427.16394	3.3
441.17847	1.8
443.27869	8.3
454.14944	2.2
456.20502	6.2
457.21432	1.9
461.28873	9.3
469.17575	2.1
482.14328	8.5
483.15240	7.5
485.17584	2.0
495.19241	3.3
497.16919	11.8
498.17255	2.9
510.17853	2.5
511.18631	5.6
512.19366	56.6
513.19666	5.2
599.23944	7.6
630.69836	1.6
658.25073	100.0
659.25311	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	658.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95634	0.3
61.02877	0.5
67.05467	0.4
69.06992	0.4
70.69005	0.9
75.94469	0.3
79.05453	0.4
81.02410	0.3
81.03345	0.4
81.07023	0.6
85.02850	0.4
91.03899	0.4
91.05425	0.5
93.78288	0.3
95.11497	0.4
96.12123	0.3
97.02849	0.4
105.06980	0.4
127.03879	0.5
131.08498	0.4
134.99979	0.3
137.22801	0.3
140.00137	0.3
154.05664	0.3
165.09053	1.3
190.79549	0.4
233.13362	0.4
348.67795	0.3
400.15170	0.5
400.80640	0.4
412.14166	0.8
426.15762	1.4
427.16724	2.2
440.13416	1.1
441.18213	2.9
442.18839	1.3
454.14688	1.8
455.16077	1.4
456.20422	7.4
457.20935	1.3
468.12982	1.8
469.17624	1.3
470.22073	0.5
480.16895	1.3
482.14124	6.2
483.15317	8.6
484.16150	1.2
485.17096	0.5
495.18933	4.0
496.16489	2.6
497.16959	12.3
498.17627	1.4
508.20013	0.6
511.18524	5.3
512.19348	53.1
513.19629	3.3
522.16876	0.8
524.19397	0.8
528.22321	0.7
539.21777	1.0
542.24072	1.0
553.19781	1.4
584.21582	0.7
598.23145	0.5
599.23798	7.8
600.24237	0.6
626.22778	1.0
658.25128	100.0
659.25385	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	657.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.6
55.05502	2.1
65.03919	1.6
67.05512	8.3
69.03439	1.9
69.07071	1.9
69.78462	8.2
79.05486	4.8
81.03415	3.6
81.07053	5.8
83.04975	1.6
87.63197	1.3
91.05476	7.0
93.07032	7.2
95.08588	4.9
97.02885	3.5
105.07021	6.4
107.08576	2.8
109.10138	2.1
115.05435	4.3
117.07047	2.9
119.08568	2.4
121.10150	3.1
129.06982	1.8
131.04901	2.1
131.08629	2.9
133.10077	1.6
135.11702	1.9
145.10103	3.3
161.05989	3.9
173.05980	3.7
174.03146	4.5
177.05473	7.3
186.38849	1.5
187.82281	1.4
189.05486	4.4
191.07071	2.0
193.04951	4.4
202.02629	27.6
217.04974	100.0
218.05336	1.9
229.04971	3.5
235.06015	4.9
257.07996	1.5
259.06039	2.2
261.21988	1.8
273.59369	1.6
401.39001	1.7
433.35919	1.5
531.23871	2.1
597.26508	2.9
613.45935	1.4
625.25983	2.0
657.29669	13.0
657.40192	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	657.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59798	0.4
56.29739	0.5
70.89026	0.9
91.05479	0.5
93.07037	0.8
95.08646	0.6
112.06590	0.5
112.91786	0.5
191.01370	0.5
211.12537	0.6
223.12364	1.0
224.13220	0.6
237.13878	0.6
248.13034	0.6
251.15326	0.5
253.82748	0.5
258.11749	0.5
353.17883	1.1
367.19205	1.7
377.17834	0.9
379.19327	0.9
380.20486	0.7
381.21002	1.1
392.20178	0.9
393.20877	0.8
395.18436	1.0
407.18356	0.6
409.20242	0.9
410.21078	1.2
411.21463	0.6
421.19876	0.9
422.20966	1.1
423.22284	0.7
431.18320	1.0
433.20395	1.3
435.21817	1.3
437.23581	1.4
438.20755	3.0
439.21442	1.9
440.22012	0.9
446.21091	0.7
447.21771	1.6
448.22791	0.9
449.24026	1.2
451.21185	1.2
453.22983	6.5
454.22516	0.7
455.24448	1.7
460.22723	1.7
461.23734	1.0
462.20297	0.9
463.21210	1.9
464.22229	0.7
465.22635	1.2
469.22034	1.2
475.24960	1.8
476.22171	2.4
477.23013	2.8
478.23795	1.1
479.20477	0.7
481.22141	1.6
483.24078	2.6
493.22049	0.9
496.24521	1.4
497.26215	0.8
498.26175	3.7
501.22678	1.9
503.20749	0.6
503.24927	0.8
505.18796	1.2
506.22583	0.7
507.23853	0.7
509.26196	0.9
511.23331	2.8
519.24506	1.3
521.25214	1.6
523.19104	0.8
523.25934	0.9
524.24158	4.7
525.24744	0.8
526.25873	10.6
531.23950	5.1
537.25067	2.6
540.23236	0.6
547.23315	1.5
549.24866	3.5
550.22253	0.8
551.25500	2.2
565.24933	1.6
575.23187	1.5
579.26172	1.3
581.27563	1.0
593.24146	3.5
597.27905	4.0
607.25513	1.0
611.28107	2.5
625.26532	11.4
639.28424	1.9
657.29358	100.0
658.29620	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	657.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	1.0
74.11507	0.9
75.26846	0.9
79.05504	1.0
79.38750	1.0
83.04996	1.6
132.08057	0.9
209.10759	1.0
220.09895	1.8
221.10890	1.5
221.41228	1.1
223.12331	1.7
229.54169	1.3
233.10866	1.0
235.12436	2.2
236.13235	1.7
249.10257	1.2
249.13995	1.3
261.12408	4.2
274.13519	1.1
300.11334	1.1
300.15103	1.1
312.15060	1.3
313.15952	1.8
314.13364	1.5
314.16541	6.3
315.56165	1.1
316.14529	1.6
318.15948	2.2
326.16559	1.4
327.17398	2.8
328.18002	2.2
331.16861	1.7
335.13953	1.3
336.14835	1.3
337.15591	4.6
338.17056	1.2
339.15326	1.0
340.14566	1.9
340.18268	1.8
341.15134	1.5
341.18790	2.2
342.19653	1.5
351.16461	1.2
354.16074	1.2
355.16629	1.9
356.17484	1.7
364.17929	1.0
370.19220	1.7
375.16266	1.2
378.18903	1.6
379.15533	1.2
384.17123	1.0
386.18719	1.7
390.18091	1.4
392.16925	1.8
393.17160	2.2
394.17932	2.6
395.16321	2.7
397.17487	4.3
400.20346	4.7
401.21310	1.8
403.18896	1.0
405.21048	1.6
407.18774	3.0
408.19485	2.7
409.20367	14.3
414.21838	2.5
415.23001	1.4
416.23398	2.8
421.20355	4.0
422.21265	2.1
423.21939	9.4
424.22668	4.0
428.19650	2.3
429.20724	2.9
435.22247	3.2
436.22592	1.7
437.23682	2.1
442.21259	2.1
443.22055	19.8
451.21719	3.1
453.19180	1.2
454.20471	1.4
461.23328	1.6
463.21414	1.3
467.20404	8.9
468.21622	1.0
477.23306	1.2
479.25180	1.2
480.21704	1.3
481.22617	2.0
482.23514	6.3
493.22275	0.9
494.24399	2.8
495.24023	3.8
503.24133	18.9
507.23895	3.2
508.24490	1.0
509.25317	4.2
510.26443	2.7
511.27176	21.9
522.22833	1.4
523.23499	5.9
527.26837	1.6
537.25037	3.5
538.25867	1.4
539.23145	1.0
541.24310	1.8
552.25653	1.2
553.28430	16.0
554.25690	8.3
555.25928	2.7
566.24756	1.1
568.26971	1.3
569.27716	28.9
570.27600	1.7
572.23334	1.1
579.25946	1.8
580.24829	4.5
582.25018	2.7
597.27100	34.7
598.27698	1.8
600.25806	1.2
615.28284	2.1
625.26508	4.1
629.26111	1.9
639.28302	10.3
640.28290	2.0
642.26849	1.5
657.29266	100.0
658.29248	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	657.292
Annotation	Unknow
Peak:m/z	Relative Intensity
58.13725	1.5
61.31993	1.2
71.13672	3.1
132.08109	1.4
135.02994	1.4
142.23590	1.3
144.08127	1.2
146.09686	1.9
174.09254	1.3
209.10822	1.3
235.12404	2.7
237.14049	1.9
247.12262	1.4
249.13963	1.6
249.16078	1.4
261.13882	2.2
273.13809	2.9
287.15353	1.4
288.15692	1.8
298.22147	1.2
300.14798	2.0
314.16360	2.0
318.16321	2.2
325.15622	1.3
326.16415	1.4
338.16525	1.8
340.18323	1.7
350.16428	1.3
351.15988	1.9
352.18106	1.6
363.16342	2.1
364.17380	1.4
365.17670	2.2
366.19534	1.9
375.16162	1.4
376.16986	3.0
377.17807	3.5
378.19205	2.0
379.19333	4.6
380.20450	1.7
381.21301	1.6
390.18582	1.6
391.19156	5.4
392.20306	2.0
393.16968	4.2
393.20810	3.9
405.16586	1.9
405.21115	3.3
406.21884	2.8
407.18500	5.3
407.22849	2.9
408.19373	5.6
409.20444	7.6
410.18686	1.9
417.17093	1.6
418.17838	2.0
419.18295	1.9
421.19681	7.8
421.24982	1.8
422.20917	4.6
423.21902	21.9
424.22620	1.7
426.21463	1.5
431.18494	1.5
433.20078	2.6
434.21158	2.9
435.22495	7.3
436.22519	5.0
437.23666	6.0
438.21979	1.5
439.21329	2.0
442.21643	2.2
446.20895	2.2
449.23874	2.3
450.24020	2.1
451.20795	7.6
454.20285	4.2
461.23630	6.7
462.20801	2.0
463.21378	5.4
465.22699	3.9
466.20700	1.5
467.24246	5.1
468.25198	2.1
477.23416	6.5
478.23587	4.2
479.25003	7.6
480.21893	2.0
481.22330	5.0
493.21582	8.2
494.27087	6.5
495.23611	15.8
496.25064	6.2
496.31192	1.4
507.23816	4.0
508.25000	16.0
509.25778	14.8
510.26477	10.7
511.27286	14.5
516.24670	3.1
521.25641	6.3
522.26880	2.6
523.23529	7.8
525.27917	3.8
526.29199	2.6
537.24933	21.3
538.26105	14.6
539.26062	1.9
549.24957	1.7
551.22467	3.1
553.28589	14.5
554.25555	2.1
555.25916	3.0
565.24365	4.3
566.25079	2.3
570.28613	6.7
581.27649	28.0
583.25842	7.4
595.29224	1.8
596.26837	2.0
597.27130	63.4
598.27734	11.4
607.25031	1.6
613.30280	79.5
614.30627	3.0
625.26544	100.0
626.26733	5.4
657.28967	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23989	1.9
69.88111	2.0
71.40004	3.7
72.80221	2.1
73.40096	1.9
81.91322	1.8
115.89429	2.0
173.61719	2.0
203.54259	1.9
223.12366	2.4
237.13956	2.3
249.13968	3.0
261.14053	2.6
276.14938	2.2
300.14847	3.0
319.16913	2.1
352.17093	3.0
353.17792	3.4
365.17773	6.1
366.18533	3.3
367.19171	8.1
378.17923	2.3
379.15234	3.1
379.19507	6.0
381.20786	13.2
382.21896	3.0
393.17047	7.1
393.21289	3.3
394.17993	9.1
395.18552	7.2
406.18176	2.5
407.18143	3.5
408.19385	9.1
409.20242	67.6
410.20822	2.2
421.20230	7.8
422.21149	2.3
423.21957	25.1
424.22797	14.2
425.19241	4.1
433.20819	2.4
435.21716	7.1
436.22534	3.4
437.23361	6.9
441.22989	6.3
448.22330	2.8
450.24026	2.5
451.20987	11.3
452.22165	7.0
453.22552	7.2
454.20370	2.4
461.23306	5.4
463.24741	6.6
465.23169	3.6
467.25272	3.3
468.24823	3.6
469.26892	5.2
477.23190	3.9
479.24979	4.7
480.21765	4.0
481.22522	4.7
493.22324	3.0
494.22708	3.6
495.23975	17.4
496.22424	16.1
507.24078	9.4
508.25070	10.9
509.25424	8.8
510.26001	8.0
511.27310	24.6
512.24249	2.4
513.24982	21.3
519.23682	2.5
522.26141	4.6
523.23462	11.8
527.26892	18.6
537.24994	9.9
538.25836	8.7
539.26428	8.8
551.22369	3.5
555.26031	14.7
556.26770	3.2
570.27991	2.2
571.29272	19.9
581.27411	9.7
583.25092	4.7
597.27307	24.1
598.27905	40.2
613.20276	4.0
613.30304	92.9
614.26941	14.4
615.28168	100.0
625.16937	2.8
625.26648	40.8
639.27625	4.4
657.29279	59.4
661.70038	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	657.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11732	0.6
60.79166	0.5
95.23029	0.6
100.44278	0.5
100.64181	0.5
175.11050	0.5
197.10907	0.7
223.12411	1.1
249.14012	0.8
263.15332	0.6
314.12976	0.6
318.16229	0.8
367.19366	0.9
377.17639	0.7
379.19312	0.7
380.20154	1.1
381.16986	1.0
391.19104	0.8
393.21085	1.0
395.18610	1.4
403.19315	1.2
407.18597	1.3
409.20456	1.1
410.20938	1.8
411.21646	0.7
421.20361	1.1
422.21219	1.2
425.23608	1.0
431.18826	1.3
432.19879	1.3
433.20374	1.0
436.22849	1.1
437.23709	1.7
438.20508	2.8
439.21246	1.7
445.20502	1.8
446.21219	1.0
447.21805	1.9
449.24075	1.3
451.21268	1.1
453.22894	7.8
455.24518	2.6
457.16833	1.2
459.25943	1.2
460.22888	1.4
461.24088	0.8
462.19977	0.8
463.21109	0.6
465.23474	1.1
469.22614	1.2
471.18240	0.9
472.19226	0.8
473.23569	0.9
475.25024	2.0
476.22192	2.4
477.22784	3.2
479.20706	1.3
481.22574	0.9
483.24023	4.2
486.20502	1.7
489.22974	0.8
492.21252	0.8
493.22211	1.0
496.24249	1.2
498.26233	5.1
501.23010	4.1
502.20380	1.9
503.24377	0.9
505.18967	1.8
506.23169	1.6
508.25079	1.4
509.25876	1.2
511.23633	3.5
519.24152	1.1
522.22418	0.7
524.24316	2.9
525.24542	0.9
526.25861	11.9
529.22742	1.2
531.23907	16.6
532.24005	1.1
537.24426	0.9
547.23621	2.1
549.24921	1.9
557.21759	0.8
565.24890	1.1
575.22852	6.6
579.25909	1.0
581.27533	1.8
593.23450	3.7
597.26874	5.0
607.25482	4.1
625.26324	11.4
639.28009	4.1
657.29211	100.0
658.29333	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80399	1.1
55.05497	2.6
58.02864	1.4
67.05495	5.8
69.83356	7.5
77.41759	1.4
79.05471	4.5
81.07046	4.4
88.01759	1.3
91.05479	3.8
93.07031	3.2
95.08589	2.8
105.07028	2.2
107.04904	1.2
107.08582	2.2
117.06983	2.0
119.08608	1.6
121.10168	1.5
123.43111	1.2
133.10060	2.2
209.10762	3.3
223.12285	5.2
237.13815	2.9
238.14511	2.4
239.15430	2.4
249.13847	1.5
250.29192	1.5
251.15706	1.4
265.13324	1.6
281.12564	1.5
291.19507	2.4
330.16089	2.3
337.12186	1.4
365.17410	1.7
378.18488	2.2
379.19028	1.6
381.20956	1.3
391.19391	2.4
392.19684	2.2
393.20810	1.9
394.21509	1.8
404.20035	1.5
405.20584	3.9
407.22748	2.1
408.18713	1.7
420.18582	1.8
420.23547	2.0
421.20251	2.8
423.21780	2.1
424.22000	5.6
426.22949	1.5
427.17905	1.7
431.18658	2.5
432.23300	7.0
433.20444	2.6
437.23538	2.7
445.20413	2.3
447.22266	2.6
449.23788	2.5
450.20355	1.8
453.22601	2.2
455.17175	2.1
460.22577	2.2
461.23563	2.7
463.21127	5.3
467.13519	1.8
476.21719	5.4
477.23123	3.6
478.23480	4.1
479.20578	2.4
481.22458	3.2
483.16547	2.3
489.22629	2.4
491.20441	3.2
495.23630	2.1
496.24542	3.1
504.21393	2.8
505.22623	2.3
506.23123	14.9
507.23718	3.1
519.23456	2.4
521.25305	4.3
524.24054	5.4
525.24408	3.4
527.15601	3.3
531.23810	5.4
537.24103	4.4
539.22699	2.1
547.23340	5.0
549.25378	11.5
550.21759	18.4
551.22656	4.6
553.24426	2.3
554.24341	3.5
559.25714	1.5
561.25269	7.4
565.23999	5.6
569.24017	2.3
575.22455	6.0
579.24799	4.3
582.24341	2.4
587.25208	3.3
593.23950	39.7
597.27246	21.9
607.25586	18.2
621.27209	16.9
625.26569	100.0
626.26520	5.7
629.22375	4.2
639.28400	14.8
639.38422	1.9
657.20593	8.2
657.28485	15.9
657.40326	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	5.3
57.03447	3.8
57.07080	41.7
61.02652	1.0
61.02929	12.7
67.05191	0.8
67.05508	11.8
69.03415	1.8
69.07075	7.0
69.32955	4.6
69.33366	1.6
71.04993	1.0
71.08636	35.6
72.37067	0.8
73.02924	5.2
75.04485	2.5
79.05490	1.4
81.07058	18.0
81.43245	0.8
82.78920	0.7
83.08620	12.6
85.02911	15.0
85.10184	20.2
87.04449	0.8
89.06013	0.9
91.03963	14.3
91.05490	0.9
93.07035	1.4
95.08613	27.2
97.02896	7.7
97.10184	6.8
99.11735	1.1
103.07546	0.9
109.09473	1.2
109.10155	11.6
111.11744	1.0
123.11734	4.7
125.13277	1.1
127.03130	0.9
127.03896	4.9
131.13269	0.8
137.13249	2.4
145.04977	6.7
161.61606	0.8
163.06044	9.5
185.59694	0.7
221.22615	1.3
239.23714	35.2
257.24664	5.8
313.27377	100.0
314.27710	2.8
331.28442	14.1
376.17221	0.8
435.22073	0.9
462.20514	0.9
463.21304	1.1
547.01300	0.8
577.24225	1.1
595.24884	1.0
623.26410	4.7
637.26996	1.1
655.28546	12.6
655.41949	1.2
656.28094	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.7
55.01870	1.2
55.05513	22.1
57.07079	23.0
63.17363	0.7
65.03945	1.0
67.05519	1.1
67.09459	0.6
68.18837	0.7
70.64880	2.1
71.05003	4.0
71.88907	0.7
83.04983	95.3
84.05315	1.3
91.05487	7.2
93.07063	0.9
95.04966	2.8
98.98460	5.6
105.07032	3.9
115.05450	1.2
119.08585	1.8
125.73046	0.7
128.06210	6.1
129.07010	13.1
133.10138	1.2
141.06975	3.3
145.06532	2.0
147.08069	7.9
147.11690	15.3
147.12805	1.0
151.01598	3.0
157.00520	0.7
157.07616	4.2
159.08109	0.9
169.07591	2.5
175.01558	51.1
181.02605	75.7
185.13312	0.9
187.01604	2.4
199.03653	1.6
204.27696	1.0
227.04689	29.8
231.07916	2.6
239.04654	4.2
243.07849	0.8
257.05762	9.5
275.06766	0.9
283.10959	8.9
293.13074	0.7
295.10803	0.9
313.11996	49.2
314.12668	1.0
331.00726	0.8
331.13116	2.5
337.02567	0.7
339.17215	1.0
369.18246	25.7
487.12631	5.3
543.19086	63.2
544.19061	1.6
596.72571	0.8
599.25336	100.0
600.25696	3.1
611.24908	3.9
623.26813	1.6
655.31665	45.7
656.32391	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22062	0.4
62.24753	0.4
68.88945	0.4
69.82950	1.0
69.83366	1.4
75.04498	0.5
81.26882	0.4
157.52321	0.4
237.99321	0.4
305.92221	0.4
377.17770	0.7
391.19266	1.5
392.19955	0.8
393.20676	0.6
401.18228	0.5
405.17111	1.5
406.21967	0.7
407.22577	3.8
415.26050	0.5
418.17578	0.5
419.18353	3.6
420.19345	1.3
421.20267	1.8
432.19507	0.6
433.20721	5.1
434.21097	4.9
435.21875	8.3
436.22873	0.7
445.20007	0.6
447.17868	1.7
447.22250	2.0
448.18073	0.6
448.23218	1.0
449.19870	1.8
452.18326	0.5
461.19882	1.4
462.20319	4.5
463.21365	4.0
475.21249	1.9
476.21976	1.4
477.22958	1.5
479.21021	0.5
489.22897	1.3
493.26474	0.9
494.23181	0.5
495.24319	0.9
505.22211	0.8
507.24091	1.0
508.24927	1.7
509.25650	1.9
517.22260	0.5
521.25641	13.0
522.25647	0.7
535.26453	0.5
547.26831	0.6
549.24988	20.5
550.24908	0.7
553.24847	1.3
554.21155	4.8
563.26898	2.9
567.26489	0.6
577.24530	1.0
581.27734	3.0
595.29437	10.9
607.29266	0.5
609.27051	11.7
613.26172	0.6
614.23499	1.2
623.28894	2.1
632.24481	1.0
655.31262	100.0
656.31677	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	655.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10634	2.0
59.87925	1.8
62.40182	2.0
70.79407	5.5
71.40802	1.9
72.04517	3.3
81.07026	2.1
84.27303	2.2
88.91014	2.3
91.05453	3.1
92.77732	2.1
93.07062	2.2
95.08583	2.8
97.75716	2.4
131.07373	2.5
133.10187	2.4
136.82506	1.8
183.59703	2.0
273.13852	2.5
275.15204	3.3
310.31125	8.9
338.16528	3.0
375.16495	2.2
376.17673	2.8
377.17621	3.1
378.19376	2.0
379.19052	3.2
389.17358	5.9
391.19464	4.1
393.20929	2.0
402.18860	2.7
403.19516	4.5
405.16547	2.7
405.21259	3.4
406.17679	3.3
407.18652	5.6
410.01913	2.3
415.15671	5.1
417.16876	3.0
419.18359	4.7
420.19461	6.0
421.20490	11.8
422.21283	3.4
431.18607	4.6
433.20206	5.9
434.21005	5.8
435.21899	38.5
436.22595	22.6
437.23666	4.6
448.22940	4.5
449.23590	33.2
459.21716	2.4
460.22705	2.6
461.19373	3.8
462.20663	3.6
463.20865	10.6
464.22092	5.5
465.22849	5.9
476.22000	9.9
477.23346	12.6
479.20615	6.3
491.24146	6.9
492.24869	5.0
493.21884	16.3
494.23309	3.2
495.23938	4.8
505.22638	2.3
507.02222	2.2
507.23721	6.8
508.24994	18.0
509.25537	74.1
510.23611	3.6
511.23190	6.1
519.23962	7.3
523.27393	16.3
524.27710	6.9
533.25909	2.6
537.24585	3.2
546.65857	2.2
551.26642	22.6
567.26019	5.8
568.26849	62.9
571.99054	2.3
579.25873	5.5
595.25525	100.0
596.26129	5.0
611.28436	24.8
623.25006	43.7
655.27533	55.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2766
Annotation	Swietephragmin F
Peak:m/z	Relative Intensity
55.05523	0.7
55.30609	0.5
55.34200	0.6
57.66940	0.6
63.72625	0.5
64.55858	0.6
67.45955	0.7
71.48497	0.9
81.07070	1.0
100.24744	0.5
105.07939	0.6
122.90411	0.6
131.08594	0.6
131.78738	0.6
209.10732	1.5
211.12350	0.7
218.08331	0.7
221.10828	1.3
223.12312	1.1
224.13158	2.1
235.12363	0.7
237.13960	1.6
238.14668	1.0
250.05020	0.7
251.15634	0.6
263.11838	0.7
279.80984	0.6
281.12735	1.1
338.12900	1.4
403.19354	0.7
412.09177	0.8
415.19800	0.9
419.18710	1.0
435.21655	1.1
438.65244	0.8
445.20023	1.0
459.22211	0.7
461.19708	1.1
462.21039	0.7
463.21356	2.2
477.22879	0.9
486.20105	0.7
488.19684	0.7
489.19366	1.2
501.23123	0.7
503.21112	5.6
504.21707	1.3
519.24347	3.1
522.23438	1.1
529.22656	1.2
531.20184	2.3
532.20111	0.8
545.21973	1.2
547.23358	1.8
549.21460	1.1
551.26508	2.2
563.22571	2.3
576.20129	1.3
579.26038	4.9
591.22443	6.2
595.25610	1.4
596.28925	1.8
623.25037	100.0
624.25214	3.4
625.22687	0.9
637.26483	1.1
655.27844	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	655.2763
Annotation	Karajinone A
Peak:m/z	Relative Intensity
73.13940	0.9
78.95673	0.9
80.67762	1.0
83.04968	2.0
96.90454	1.0
98.21516	2.7
150.14119	1.0
181.02647	2.3
186.83337	1.0
196.09863	1.2
209.10748	1.6
222.11531	1.4
223.12338	2.9
224.13039	1.6
225.13899	1.8
235.12465	1.5
236.13138	2.1
237.13838	4.8
238.14664	3.4
239.15506	1.6
246.11559	1.2
247.12373	2.0
249.14000	1.4
251.15443	3.7
252.16135	1.3
253.17006	2.7
261.13895	6.2
262.14594	1.6
263.11810	1.0
279.14963	2.2
280.15842	2.1
313.12134	1.5
314.16293	1.3
352.17709	1.7
353.17828	1.8
364.18033	1.6
366.18964	2.0
367.19278	3.2
375.15839	1.4
377.17563	3.6
379.19650	1.4
381.21057	2.4
393.16577	1.2
393.20889	1.2
394.17908	1.9
395.18542	2.3
406.17950	1.4
407.18509	3.7
409.20422	2.2
411.21988	1.4
421.20697	2.2
423.17905	1.8
425.19919	1.4
435.18082	3.2
437.19583	3.1
439.21219	1.8
448.18726	1.9
449.19824	5.4
450.20700	2.1
451.17978	1.4
463.20447	1.6
465.18903	7.1
469.26337	2.2
476.18402	2.0
477.19318	1.5
479.24664	2.9
480.21692	2.9
481.22470	2.0
482.23050	2.0
483.20282	1.9
497.25809	8.2
507.23431	4.7
508.21234	4.5
509.21896	1.4
510.22418	2.9
512.25427	1.3
514.26062	5.5
525.25153	7.3
529.28125	5.2
535.23309	2.7
542.25061	3.4
543.19495	1.2
552.23779	2.9
553.24780	5.7
557.27435	2.8
563.23102	2.1
565.28101	1.8
567.26178	5.5
569.27240	1.8
581.23895	4.0
585.27203	20.2
595.25555	100.0
596.25354	4.0
599.25470	2.5
613.26617	98.4
614.26459	3.6
655.26843	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	655.2767
Annotation	Swietephragmin F
Peak:m/z	Relative Intensity
57.07087	1.2
69.42553	4.2
69.42982	3.6
81.07071	1.5
83.04992	4.4
91.05495	1.7
93.07091	1.3
105.40475	0.9
109.77097	0.9
117.49344	0.9
118.47169	0.9
122.08569	1.0
149.26060	1.0
175.01575	2.0
181.02626	4.7
209.10756	2.0
211.12277	1.2
221.10789	1.7
222.11578	2.7
223.12393	2.5
231.38963	1.0
233.10875	1.2
235.12334	1.3
237.13916	2.5
238.14603	1.7
247.12378	1.5
250.94284	1.3
251.11960	1.2
251.15456	1.3
261.13904	2.9
263.11880	1.4
268.11981	1.1
279.14792	1.2
281.12885	2.2
293.12839	1.4
311.14029	1.3
313.12106	2.5
313.15533	1.2
314.16321	1.7
328.18271	1.4
338.16431	2.0
341.15976	1.1
352.17984	2.0
353.19046	1.1
369.18262	1.3
371.19916	1.3
386.18289	1.8
386.22638	1.5
387.19638	1.3
396.17203	3.8
398.60791	1.1
412.20111	3.5
414.18414	2.4
415.19122	1.6
418.19119	1.2
419.18326	1.1
430.21460	17.7
447.18124	1.5
461.20502	1.9
462.20880	1.8
463.21191	1.9
471.18155	1.8
473.18625	1.4
477.22781	3.1
486.20923	2.0
487.20975	1.5
488.19708	2.2
489.19662	1.7
491.20981	1.3
501.22928	2.2
503.20999	3.0
504.21729	1.4
505.22546	2.5
519.24420	4.6
529.22107	3.1
530.20667	2.6
531.20117	3.3
535.23267	2.5
543.19763	1.2
545.21454	1.5
547.23718	6.5
548.21820	3.0
551.26593	3.4
560.24036	1.5
561.24896	1.3
562.23578	1.6
563.21973	2.2
573.21167	3.2
574.19489	2.3
576.20514	1.7
579.26172	6.0
591.22412	36.0
594.26239	6.6
595.25238	3.3
599.25122	5.5
605.23810	4.8
606.22772	6.9
611.28522	2.9
613.26300	2.5
623.25024	100.0
624.24841	4.2
637.16809	1.4
637.26617	18.8
638.25146	1.7
655.27722	21.4
655.40442	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2768
Annotation	Coproporphyrin I
Peak:m/z	Relative Intensity
62.16505	0.7
67.05521	1.7
69.43740	5.9
79.05470	1.3
93.07037	1.6
95.04989	1.1
98.20763	1.5
105.07063	1.2
109.06506	0.9
116.07056	0.9
118.06544	1.0
120.08134	0.8
166.08606	0.8
197.10802	0.9
207.09235	1.4
208.09973	0.8
209.10759	1.9
219.09296	1.0
221.10815	1.5
222.11642	1.3
223.12366	2.3
224.13141	0.9
235.12314	1.2
237.13814	1.2
261.13956	0.9
263.11926	1.0
281.09384	1.1
281.12851	2.6
283.14545	0.8
291.19562	2.2
334.13474	0.8
353.15369	1.0
372.17316	1.5
391.19720	0.9
403.19598	1.0
417.21420	0.9
421.20340	1.7
426.21860	0.9
430.12000	0.9
431.18936	1.0
443.18860	1.3
446.20474	0.9
452.23624	0.8
458.22205	0.8
459.17432	1.2
463.21286	1.7
475.21451	1.1
480.22778	0.9
486.21704	1.7
488.20245	1.6
489.19702	1.4
501.22806	1.3
502.20654	1.2
503.20734	2.7
504.22147	1.0
511.21204	0.9
518.18787	0.9
519.24091	5.4
520.19818	0.9
521.21545	1.1
522.22668	1.1
529.22430	3.4
530.20795	2.3
531.20258	2.7
535.24200	0.8
547.23523	2.1
548.21735	4.7
551.26624	3.0
555.21082	1.1
563.21436	1.6
573.21259	2.5
576.20325	2.1
577.23553	1.1
579.25806	2.8
591.22455	48.2
592.22534	1.3
595.25867	1.5
605.23785	1.5
623.25018	100.0
624.25012	4.3
637.25970	2.7
655.29059	7.4
655.40540	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	4.9
57.07078	5.1
58.96367	1.6
83.04995	17.4
91.05469	2.2
92.74612	1.6
93.07099	2.8
129.07040	3.6
144.96918	2.0
148.07567	1.9
175.01593	5.6
181.02603	11.3
193.75941	1.6
195.09274	1.9
207.09254	3.2
210.11519	2.0
221.10777	6.1
222.11433	3.0
223.12369	5.2
224.13081	2.5
225.13913	3.3
227.04648	4.6
232.09955	13.7
234.11368	2.1
235.08600	3.3
235.12173	2.2
237.13890	6.2
238.14563	4.9
239.15514	3.0
247.12302	15.9
249.13898	3.8
257.05704	2.0
261.13998	2.7
265.13361	2.4
267.14938	7.7
275.11786	5.9
281.12903	2.2
293.12845	32.7
311.13916	16.1
313.08484	2.0
313.12048	7.4
326.16464	2.2
338.16519	3.8
353.18808	3.1
369.18329	4.8
377.14078	2.6
387.19217	2.2
388.20169	2.7
393.16904	4.0
396.17139	6.7
412.20102	5.6
414.18033	5.2
414.86169	2.1
415.19250	3.6
430.15594	2.7
430.21344	26.7
435.17996	3.3
449.19876	2.3
453.18921	6.3
462.20145	2.0
463.21359	2.2
469.32309	2.3
471.18091	2.6
486.21307	2.1
487.21249	3.7
488.19498	2.2
497.25476	2.4
501.22574	2.7
503.21017	3.7
505.21997	3.1
519.23785	6.7
521.24518	2.1
529.21765	5.3
531.19910	5.8
535.22839	2.4
539.22992	31.1
543.19403	4.3
547.23645	9.2
548.21747	7.3
549.23169	2.4
551.26508	3.6
563.22339	3.3
568.21674	2.0
573.21124	3.0
579.26196	5.2
585.27124	5.1
591.22388	48.4
594.25922	9.1
595.25714	13.5
596.25714	3.0
597.35419	2.6
599.25122	20.0
605.24127	10.9
606.23077	7.3
611.28766	4.5
613.26349	16.2
623.25018	100.0
624.24597	3.9
627.27307	4.1
637.26617	27.1
638.23883	2.5
655.28308	36.2
655.40399	4.2
656.28339	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2767
Annotation	Esulatin I
Peak:m/z	Relative Intensity
51.76817	1.2
55.05504	2.8
55.53074	1.1
57.07062	5.1
67.38525	1.2
83.04990	17.8
85.22762	1.2
98.98429	1.5
129.07002	3.1
137.63142	1.1
140.72845	1.2
144.82127	1.3
146.35474	1.4
147.07970	1.4
147.11703	2.0
175.01521	7.6
181.02638	14.5
203.70996	1.2
222.11449	1.8
223.12267	4.6
224.13026	1.9
225.13832	2.9
227.04617	4.7
235.12321	2.6
236.13182	2.0
237.13824	7.4
238.14610	4.3
239.15419	1.5
246.11650	1.9
249.13852	1.6
251.15459	5.4
253.17050	2.3
257.05579	1.8
261.13950	7.7
262.14813	2.0
279.14954	2.1
283.10986	1.4
312.15042	1.4
313.12039	8.3
339.16254	2.1
350.72067	1.5
351.16129	1.5
352.17545	2.2
353.17697	2.7
355.19339	2.2
364.17972	1.7
365.17889	1.8
367.19101	4.6
368.20004	1.8
369.17896	3.5
377.17465	4.9
379.19376	2.1
380.16235	1.9
381.20770	3.5
391.19312	2.4
392.19922	1.8
393.20837	3.2
395.18481	3.9
403.19278	1.4
405.16678	3.0
406.17508	1.6
407.18646	3.8
409.20349	2.9
411.22534	1.6
419.18350	1.7
421.19925	3.9
437.19681	2.4
438.20700	2.1
439.21045	3.2
449.19775	4.4
450.20374	2.2
451.21274	1.7
453.22934	2.4
463.21118	2.9
465.19318	5.6
468.25604	1.6
469.26282	3.1
476.18204	2.0
477.18765	2.8
479.24631	2.6
480.21707	2.6
482.22818	3.9
483.20239	1.9
493.22855	2.5
494.22363	3.5
495.22925	3.0
497.25790	6.5
501.23007	1.9
507.24069	6.3
508.22379	1.8
509.25333	2.9
510.22275	3.2
514.26001	10.8
518.22443	1.6
525.25323	11.5
529.28113	10.1
535.23285	2.8
539.25238	2.1
542.24957	3.4
543.19452	6.3
551.26013	2.5
552.23706	2.9
553.24146	13.7
557.27405	4.7
563.22693	2.6
565.28015	9.8
566.24664	1.9
567.25854	10.1
568.25946	14.0
569.27222	2.6
581.23926	4.1
583.28058	1.5
585.27075	40.9
595.25464	81.2
596.25568	2.3
599.25336	16.9
605.23309	1.6
609.26959	3.1
613.26581	100.0
614.26599	2.0
623.24078	6.6
627.27588	1.8
637.25598	2.9
655.26874	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.277
Annotation	Cryptophycin 1
Peak:m/z	Relative Intensity
59.44275	1.6
67.05518	4.4
71.48705	1.8
71.49092	2.4
81.07050	2.4
81.64895	1.7
83.04983	1.8
91.05482	3.2
95.08624	3.2
105.07048	2.5
109.71067	1.7
133.08746	1.8
133.10101	1.7
173.44789	1.7
379.19211	3.2
393.20734	2.8
405.17053	2.5
407.22522	3.3
420.19479	2.5
421.20239	4.3
421.62088	1.8
435.22208	8.3
436.22687	3.9
437.23740	2.2
449.23364	6.2
450.24091	2.1
461.19208	2.4
463.20590	14.5
474.24222	1.9
475.21240	2.7
476.22263	2.1
477.22833	2.2
481.26129	2.0
491.24512	3.5
492.25223	3.1
495.23926	8.8
508.25116	2.4
509.25470	30.3
521.21637	2.6
536.24420	10.1
537.24994	3.5
550.26093	2.6
551.26501	2.7
553.24792	2.6
563.24298	4.8
567.25464	1.9
568.18298	2.9
568.26880	42.8
579.25885	2.0
595.25446	17.7
596.26563	2.1
623.26788	5.8
636.47681	2.0
637.26520	4.2
638.30652	2.2
655.27448	100.0
656.27936	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	655.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50972	1.0
67.05506	1.5
70.55113	1.0
71.49121	1.7
71.49471	1.3
92.41852	1.0
94.40140	1.0
120.08189	1.1
157.11554	1.0
213.63477	1.3
237.13821	2.1
259.74362	1.1
261.13815	2.4
266.45505	1.0
279.14963	1.3
375.16281	1.2
387.16055	1.4
388.17297	1.9
389.17505	1.5
390.18378	1.9
391.19141	1.4
401.17520	4.1
403.19568	2.3
405.20831	3.1
414.18738	1.6
415.19092	4.8
416.20563	1.4
417.21146	5.0
419.18512	3.8
429.16370	1.6
429.21292	2.0
430.17807	4.1
431.18417	6.2
432.19608	1.8
433.20163	3.6
434.21289	1.7
435.22290	2.4
436.22937	1.7
443.18362	2.6
444.19308	2.8
445.20135	16.6
446.20950	4.7
447.17337	5.5
448.22324	3.5
458.21008	3.6
459.22513	7.9
460.22614	25.3
461.18683	1.4
461.23471	3.4
462.20496	4.2
471.17328	1.8
472.18707	2.5
473.23700	19.8
474.24915	6.6
475.25476	13.9
476.21808	4.4
477.22803	2.5
479.20731	1.5
485.23380	2.1
486.20612	4.7
487.21509	2.6
488.22809	5.5
489.22748	1.9
490.19904	3.4
491.24139	4.3
493.22092	2.6
494.23184	1.4
501.23080	14.5
502.23563	2.9
503.24704	21.2
504.21564	3.9
505.22446	1.3
508.24548	1.8
514.19965	1.5
517.22766	11.3
518.19299	18.3
519.24377	14.9
521.21698	1.9
523.24524	1.3
527.20746	2.6
528.20966	1.4
529.22467	10.7
535.23273	4.2
545.21582	2.4
547.23444	100.0
548.23865	3.0
563.22937	2.5
564.23584	1.8
567.25543	1.8
573.21179	4.7
576.20978	1.2
577.24591	1.8
579.26111	10.1
587.22357	2.3
591.22443	74.8
592.22418	1.8
595.25531	17.6
605.23840	11.6
613.26410	3.0
623.24994	54.7
624.25055	2.2
637.25659	1.5
655.27399	27.7
655.38641	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	655.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.8
55.01863	1.3
55.05516	12.7
57.07082	9.5
67.05510	1.8
71.04983	1.6
71.49153	1.3
80.59166	1.2
81.07060	3.1
83.04512	2.7
83.04987	53.2
91.05463	5.7
93.07046	2.9
95.08605	1.7
98.98457	3.8
105.07008	2.6
114.42423	1.2
117.07060	1.3
119.08571	3.2
128.06242	3.5
129.07010	9.4
133.10117	1.1
141.07004	2.3
145.06470	2.1
145.10085	1.4
147.08005	5.3
147.11662	6.6
151.01529	1.8
154.95851	1.2
157.07628	3.1
159.08009	1.5
169.35017	1.2
175.00142	1.8
175.01564	28.2
181.02621	40.5
187.01512	1.5
204.09607	1.4
209.10655	1.5
222.11526	1.5
225.13774	2.0
227.04713	13.2
231.90761	1.3
232.10048	1.6
234.11343	1.3
235.12193	2.2
237.13953	2.2
238.14571	1.7
242.44107	1.4
247.12303	1.5
249.13974	1.6
257.05661	5.3
261.13980	1.9
283.10876	3.6
293.12665	2.3
313.08478	1.9
313.12024	26.2
331.13037	1.4
369.18289	15.5
378.18503	2.0
393.20789	1.9
404.20221	1.4
417.21121	1.7
420.15411	2.1
421.20120	1.5
433.16516	2.8
433.24124	3.1
435.21933	1.9
436.22729	1.6
447.18173	1.5
448.18329	2.2
449.19476	4.2
459.21524	3.7
460.22247	1.8
461.19568	2.6
462.20660	2.5
463.21167	10.0
477.18430	11.4
479.24152	2.3
487.12610	3.2
489.19614	1.4
491.24963	1.7
496.23969	1.5
501.22842	8.5
504.21548	1.4
507.19995	1.5
509.25430	3.1
519.23468	2.8
533.25580	6.7
535.23254	5.7
536.23932	6.4
543.11493	2.3
543.19110	27.3
549.52765	1.5
550.25635	1.9
551.26660	6.4
553.24811	2.3
561.24329	2.2
563.25177	2.3
564.23450	1.5
565.28168	33.3
566.28552	2.3
568.26898	2.4
579.26166	8.7
583.29260	7.2
593.27344	2.8
595.25323	3.1
599.25378	49.2
606.28003	2.6
608.21582	2.5
611.28296	5.0
623.24945	19.9
637.29248	2.1
655.27533	100.0
656.27435	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	655.2766
Annotation	Swietephragmin F
Peak:m/z	Relative Intensity
53.03942	0.9
55.05500	2.7
57.07067	3.2
69.07089	1.2
69.58400	4.0
79.05521	0.9
81.07039	1.7
83.04988	13.9
91.05492	1.8
95.08573	1.2
98.98487	1.0
100.11269	1.4
105.07047	0.9
107.08591	0.9
109.10147	0.9
117.07027	0.9
128.06276	1.0
129.07008	2.3
147.08038	1.8
147.11722	2.4
151.01552	1.2
175.01588	7.8
181.02612	11.9
187.01685	0.8
210.11580	1.1
221.10741	1.3
223.12309	1.8
225.13808	1.9
227.04677	4.6
231.07738	1.0
235.12231	1.2
237.13889	2.4
239.15483	1.6
251.15443	1.2
257.05875	1.1
263.15411	0.8
265.13635	0.8
283.10907	1.7
313.12051	6.4
369.18295	3.6
377.17667	1.1
379.19159	1.1
381.21048	0.9
388.17065	0.8
393.16867	1.2
399.36526	0.8
403.19290	2.5
404.20291	1.3
405.16833	1.4
407.18604	2.1
409.20016	0.8
417.20859	2.3
418.21982	1.4
419.14700	1.1
419.22815	1.2
420.19824	1.3
421.20343	1.4
432.17053	0.8
432.23413	1.4
433.16559	2.4
433.24179	2.3
434.17068	1.8
435.22083	1.7
436.22522	1.1
437.23642	1.5
445.19870	1.4
447.17899	2.3
448.19064	2.9
449.19080	4.5
461.19638	2.5
462.20639	1.0
463.21722	9.3
471.18024	1.2
472.19073	1.0
475.21561	1.6
476.22125	1.8
477.18481	7.5
478.23972	1.8
479.24466	2.2
480.21631	2.3
489.19440	1.0
491.24896	1.7
492.25192	2.7
501.22955	6.4
502.23273	1.9
506.26218	1.2
509.25375	0.9
519.23853	2.2
521.21454	1.1
523.26514	1.0
529.22681	1.4
533.25665	6.2
535.23370	4.7
536.24347	2.1
543.19177	9.6
547.23358	3.8
549.21747	1.1
550.25732	2.0
551.26532	6.3
553.24396	1.6
561.25189	3.7
565.28192	37.3
566.28241	1.1
568.23590	1.2
579.26221	10.0
580.23267	1.9
581.23608	1.3
583.29352	6.7
593.27863	1.8
594.24774	2.9
595.25464	2.2
599.25311	16.3
609.26910	3.3
611.28864	4.9
612.25861	1.7
613.26495	4.4
623.24957	13.3
627.28229	2.9
627.73572	0.9
637.26135	2.2
655.27582	100.0
656.27661	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29374	0.8
55.05519	5.2
57.07081	4.5
57.86605	0.9
65.44431	0.7
67.05482	1.4
70.30877	3.6
81.07034	1.1
83.04987	19.5
88.42220	0.8
89.14034	0.9
91.05483	2.4
92.45996	0.8
93.07058	1.7
96.34667	0.9
98.98492	1.4
100.11214	1.6
105.07000	1.1
119.08636	1.0
128.06216	1.6
129.06992	2.9
141.07076	1.2
147.08017	1.7
147.11688	3.3
160.86232	0.8
175.01567	11.1
176.67973	0.9
181.02621	17.5
197.10648	1.1
209.10703	1.4
212.13158	0.9
222.11617	1.0
223.12187	1.3
224.13109	1.4
225.13873	1.4
226.14819	1.3
227.04671	5.7
235.12308	1.4
237.13809	1.6
238.14662	0.9
239.15337	1.2
249.13969	1.0
251.15443	1.5
257.05695	2.6
275.15564	1.0
283.10928	0.9
293.12531	0.9
304.15637	1.1
313.12033	12.3
331.13153	1.4
352.17612	1.2
365.17828	1.0
369.18274	6.0
378.18622	1.3
379.19336	0.9
381.20795	1.4
388.17151	1.2
391.19293	1.7
393.20963	1.0
403.19147	2.0
405.21042	1.9
408.19391	1.2
409.20352	1.6
417.20657	1.3
418.21381	1.0
419.22565	1.3
420.15335	1.1
421.20187	2.0
422.20911	1.4
427.20056	1.2
431.23001	1.2
433.16544	2.4
433.23770	3.0
434.17569	1.8
435.21786	3.4
439.20813	1.3
445.20242	1.5
447.17572	1.6
448.18805	2.8
449.19788	3.5
451.21130	1.1
459.21936	1.0
461.19702	3.6
462.20587	1.5
463.21423	11.3
464.21863	1.4
475.21436	1.9
476.22507	1.6
477.18445	9.6
479.24408	2.6
480.21490	3.9
481.21695	1.1
486.20447	1.2
487.12454	1.1
487.21399	1.9
489.19449	1.1
490.23471	1.2
491.24567	2.7
492.25409	1.7
501.23029	6.6
502.23367	2.6
504.21576	1.1
505.25562	1.2
506.26691	1.3
507.20224	1.4
509.25232	1.3
510.22507	1.6
519.23413	2.8
521.22009	2.2
523.26630	1.3
524.24390	1.2
529.22467	1.5
533.25830	6.6
535.23102	6.7
536.24286	2.0
543.19086	11.4
547.23346	2.5
549.21100	1.6
550.25385	3.0
551.26648	8.7
553.23920	1.5
561.24707	2.7
565.28162	39.7
566.28577	2.3
578.24817	1.3
579.26068	11.6
580.23279	3.3
581.24170	2.4
583.29120	6.1
593.27307	2.9
594.24695	2.9
595.25586	2.8
599.25269	21.6
609.26843	3.0
611.28650	5.6
612.26019	1.9
613.26721	5.5
623.24963	13.1
627.27911	3.1
637.26117	2.3
655.27533	100.0
656.28241	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	653.4488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43710	0.4
55.05508	1.3
57.07084	0.5
58.06605	7.0
59.33979	0.3
60.53093	0.4
67.43906	0.4
69.07062	1.5
70.06592	0.5
71.48822	0.4
72.08154	3.3
73.06567	2.3
81.07050	0.4
83.04984	1.5
86.09711	28.6
100.11265	100.0
101.06052	2.2
101.06610	0.4
112.07610	0.5
112.11250	0.4
124.69123	0.4
128.10727	0.4
146.11774	2.5
154.15886	3.3
160.58514	0.3
161.22415	0.3
168.13885	1.2
172.13353	1.6
186.14951	1.2
196.13251	0.4
200.16508	1.7
214.14432	1.0
225.16071	0.5
228.15947	6.0
285.21741	5.4
301.84930	0.4
309.21756	0.7
313.21619	0.5
313.24854	7.6
327.22897	1.2
338.03293	0.4
341.24374	11.7
341.28262	0.8
365.37604	0.4
409.27219	1.1
426.33600	0.4
427.27670	0.4
439.59311	0.4
449.20456	0.4
454.32718	2.4
472.33792	5.7
479.20703	1.0
489.22345	0.4
493.22397	0.5
498.35184	0.7
512.37225	0.4
517.22296	1.6
526.34802	1.0
535.23438	1.1
540.36572	0.5
540.52710	0.4
551.23431	0.4
579.22668	0.6
593.24634	0.7
594.24347	0.5
621.22986	1.2
625.28088	0.8
625.45398	27.7
626.45190	0.9
635.25256	0.7
653.25934	5.2
653.44739	7.1
654.26892	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63021	0.4
51.65741	0.5
53.22548	0.4
59.99186	0.5
67.05499	0.8
70.89050	1.2
79.05491	0.6
79.22281	0.5
81.07069	0.7
83.46127	0.5
88.86772	0.4
91.05493	0.7
93.07072	0.8
95.08635	0.9
105.07059	0.5
117.07020	0.7
121.10143	0.6
132.08087	0.5
146.05980	0.6
183.09239	0.6
197.10776	0.6
221.10887	0.6
222.11513	0.7
223.12273	0.9
235.12334	0.9
237.13838	0.8
249.13974	0.7
259.12384	0.6
261.10071	0.5
266.10550	0.7
296.58084	0.5
298.13440	0.6
299.14386	0.7
301.21628	1.5
312.14951	0.8
314.16522	0.9
324.14874	1.3
326.16489	1.2
328.18015	0.6
337.16107	0.6
340.14554	0.6
340.18152	0.8
347.14136	0.6
351.39642	0.5
375.25543	0.7
376.18451	0.6
386.15637	0.6
388.17279	1.2
389.17926	1.7
390.19342	0.7
391.19263	0.9
400.17188	0.9
401.17606	2.1
402.18466	2.0
403.19312	2.2
404.20224	1.1
405.20657	0.9
409.17905	0.7
412.16977	0.7
413.17581	2.0
414.18475	1.2
415.19595	2.9
416.20682	2.5
417.21091	3.2
418.21671	0.9
419.22751	0.9
424.20233	0.6
426.18231	0.8
427.19220	1.8
428.20413	2.4
429.21567	3.7
430.21838	2.2
431.17545	1.0
431.22296	3.2
432.23325	0.8
433.23874	1.9
441.20911	1.0
442.21353	1.0
443.23019	4.0
444.19522	2.1
445.23862	3.5
446.20764	1.1
449.20056	1.0
456.22705	0.6
457.16660	2.3
457.24182	2.5
458.17502	1.3
458.19327	0.8
458.25192	3.6
459.22501	2.7
460.23163	0.8
461.19156	0.7
461.24252	0.6
462.20419	0.8
463.21255	1.8
464.21472	0.6
471.18219	3.6
472.18686	2.7
473.24106	7.3
474.24463	1.0
475.21094	1.2
477.23184	0.8
478.23834	0.8
479.23932	0.6
483.21695	1.1
484.22247	1.6
485.23227	1.5
486.20346	4.0
487.21365	8.0
488.21924	2.0
489.22763	1.9
490.23788	0.7
491.24823	1.0
493.22400	1.2
500.22089	0.9
501.22934	14.8
502.23712	6.1
505.26340	3.3
512.21313	0.6
515.21069	3.9
516.21429	0.9
517.26166	9.9
518.24036	0.7
519.24109	1.3
529.22241	6.3
531.19659	1.2
532.25159	0.8
533.25684	9.2
534.26508	0.7
543.23962	1.1
544.25244	0.7
546.22510	2.2
547.23364	5.9
561.25000	41.5
562.25464	2.8
565.28210	9.1
571.23401	0.7
572.23938	0.7
578.25201	0.8
589.24500	41.5
590.24231	2.2
593.27618	4.5
594.28033	0.7
607.25671	3.8
621.27112	100.0
622.27698	5.2
623.24554	1.0
625.30005	1.0
638.27087	1.4
653.29791	16.8
654.29132	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05513	0.6
69.15968	1.9
69.16391	3.2
81.07058	0.7
95.08669	0.7
100.12464	0.5
115.25981	0.5
125.09681	0.6
134.64420	0.5
141.93266	0.5
162.64351	0.5
209.10831	0.7
249.93927	0.5
257.20792	0.5
287.95450	0.5
375.16064	0.8
376.16916	1.0
377.17838	2.0
389.18597	1.6
390.18356	1.5
391.19186	6.9
392.20084	2.4
393.21109	0.9
403.19473	1.4
404.20352	1.6
405.20801	11.2
406.21506	9.0
407.22256	1.2
419.22537	3.5
420.23102	7.1
421.17468	1.1
421.23892	13.3
429.20782	0.9
431.18741	1.6
433.20361	3.8
433.24951	1.4
434.24945	1.3
435.18213	1.6
436.18973	2.6
444.20248	0.8
445.20386	2.2
447.21939	2.4
449.19095	1.0
450.20544	2.4
451.21130	0.8
452.22055	2.5
459.17783	1.2
460.22586	3.0
461.23422	1.1
462.21008	0.7
463.21332	1.8
465.22885	44.8
466.23355	2.0
472.18781	0.6
473.19464	2.9
474.20361	0.9
475.20889	1.4
475.25751	0.9
477.26880	0.6
478.23694	1.2
479.24573	8.5
480.25165	4.5
487.21466	3.0
488.22260	5.6
491.20972	2.3
492.21860	2.1
501.22940	1.9
503.24457	53.7
504.24991	2.7
505.22586	1.6
507.27478	3.1
519.24066	0.7
526.01642	0.6
533.25378	2.0
535.27106	41.1
536.27197	1.6
551.26678	6.0
561.25055	2.8
562.25323	0.9
566.28748	0.7
579.26056	35.2
580.26587	1.6
593.27997	2.0
594.19037	1.0
594.28448	18.5
595.28882	0.8
621.27179	19.2
622.27979	1.0
653.29724	100.0
654.30139	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	653.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88391	0.7
70.88481	1.6
70.88840	0.8
117.21591	0.9
120.08091	1.4
126.06062	0.8
127.34637	0.7
130.93045	0.9
135.62190	0.7
197.10693	0.8
209.10779	0.9
210.11530	1.5
211.08728	1.0
211.12364	1.1
223.12335	1.7
225.10329	1.2
225.13899	3.3
237.13947	2.0
246.82790	0.7
249.13933	1.7
253.13441	0.8
265.09454	1.0
265.13217	0.8
328.14539	1.0
330.16232	1.0
356.14160	0.9
393.21030	1.2
405.16830	1.3
407.22406	1.0
415.15421	1.2
421.20163	1.4
430.17886	1.0
435.21976	1.2
436.22464	1.2
437.23688	1.7
449.19464	1.3
463.21347	2.3
471.18005	1.1
472.23087	1.0
473.24075	1.6
475.21539	2.7
476.22101	1.0
487.21664	3.5
489.22867	2.4
491.20322	8.0
492.21933	1.2
499.21359	1.2
500.22321	3.2
501.19284	6.1
501.23047	4.2
503.20746	1.5
505.22318	1.4
515.20868	0.9
517.22607	3.6
518.22882	1.6
519.24475	5.4
528.21924	2.3
529.22418	3.5
532.24561	1.8
544.24854	2.2
545.21429	0.9
550.25677	1.6
551.27142	6.7
560.24109	8.3
561.24738	1.5
565.27655	1.3
575.26514	11.1
579.26038	1.2
588.23798	5.2
594.28473	0.9
603.25873	7.7
621.27045	1.7
635.28668	71.7
636.28632	3.7
638.27454	2.9
653.29742	100.0
654.30383	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	653.2972
Annotation	Haplophytine
Peak:m/z	Relative Intensity
50.64742	0.7
58.44955	0.7
70.06651	1.5
70.07031	1.5
79.05423	0.9
81.43316	0.6
93.07078	0.6
96.02473	0.6
98.20914	0.8
107.63882	0.6
129.51570	0.6
160.29521	0.7
163.36925	0.6
223.12230	1.0
255.10979	0.7
279.11099	0.9
311.13895	1.1
312.14832	0.8
313.56079	0.7
314.16354	0.7
326.16364	1.2
342.19644	1.2
375.16095	0.9
389.17606	2.8
390.18494	3.1
391.19241	2.8
402.22043	0.8
403.19452	4.7
404.20041	5.4
405.15851	1.0
405.20810	15.0
406.21417	1.5
407.22369	0.9
414.21982	0.9
415.19504	1.4
416.19995	1.1
417.20969	2.6
418.21494	3.0
419.22452	10.0
420.22852	3.8
430.17731	0.8
431.22345	2.7
432.23209	2.2
433.23969	6.8
434.24640	3.3
435.18011	2.1
445.20010	1.2
447.20999	4.1
448.19452	1.2
448.26004	1.2
449.19455	7.1
450.20514	2.3
459.21893	2.0
462.20639	1.5
463.21378	7.7
464.22104	4.9
465.22827	3.6
472.18948	0.8
473.19714	2.8
475.21310	2.6
476.22055	0.8
477.22989	4.9
478.23862	5.0
479.24478	41.7
480.24719	1.9
486.20517	1.5
487.21356	6.5
489.23120	0.9
491.20523	2.8
491.24960	2.4
492.25497	3.3
493.26013	2.5
501.23029	5.2
502.23453	1.8
505.22192	2.1
506.27127	1.6
507.27646	23.9
519.24158	4.1
533.25647	6.1
534.25482	0.8
535.23505	1.1
536.23859	1.0
537.24982	14.6
550.25885	1.0
551.26520	39.1
552.26868	1.7
560.24701	1.3
561.24969	9.3
562.25677	1.8
563.23083	1.6
565.28174	25.1
566.28882	100.0
567.29175	4.5
575.26410	1.7
593.27527	14.7
603.26556	1.1
621.27112	19.8
635.28735	4.2
638.27673	0.9
653.29700	99.1
654.30103	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	653.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49134	1.0
55.01870	2.9
62.22184	1.0
67.05492	1.3
70.06585	5.8
72.08152	2.7
79.05485	1.4
81.03397	1.3
84.04528	1.5
84.08125	4.0
86.09696	2.7
91.05493	3.0
93.05759	2.0
93.07031	1.4
93.73969	1.1
94.06548	2.4
95.04969	1.5
96.04470	1.2
98.06076	2.7
100.11319	1.1
103.05397	1.2
107.04958	1.8
108.04485	1.8
108.08118	41.5
109.06548	1.2
110.06051	1.5
110.09746	1.4
120.08115	3.2
121.06557	1.8
122.06013	3.7
124.07604	2.5
129.10265	1.3
131.04893	1.8
134.06073	1.2
134.09659	1.9
136.07581	98.5
137.06009	1.8
137.08395	7.5
137.24258	1.2
138.05537	1.5
138.09154	5.5
146.06024	1.6
148.07590	5.5
149.07152	1.3
149.51843	1.1
150.05505	1.3
150.09161	3.2
152.06989	2.1
154.08615	10.4
157.20367	1.1
158.09671	2.1
160.07610	4.5
160.56807	1.2
162.09117	8.3
163.07431	1.6
163.08678	1.6
164.07066	19.5
165.07909	7.3
166.08659	4.3
168.06557	4.3
172.07596	1.4
172.11324	1.5
174.09200	2.0
175.08643	1.8
176.07056	1.5
177.10329	2.2
178.08643	11.0
180.10176	6.8
182.08202	1.3
186.16112	1.4
187.08675	1.6
188.07074	3.2
189.10217	2.8
190.08591	5.3
198.09113	1.5
199.08746	1.8
201.10211	2.8
202.08789	1.9
203.08157	4.3
203.11760	1.8
205.09752	4.5
206.08168	9.1
208.09700	10.8
212.09126	1.4
215.08275	2.0
217.09782	10.0
218.08156	3.2
218.10539	3.7
219.11337	4.6
220.09767	1.8
225.10254	2.1
228.10194	2.0
229.09789	3.6
231.07593	3.4
231.11308	6.9
243.11320	4.0
244.08231	1.6
245.09290	3.2
245.12865	2.0
246.09866	1.7
247.11011	2.1
255.11284	2.2
257.09250	3.6
257.12903	2.5
265.11844	100.0
266.12100	1.3
267.11285	2.7
268.11844	1.3
271.10797	3.1
273.12289	2.0
285.12262	1.6
289.11847	20.9
290.12579	5.8
291.13306	10.7
299.05493	2.2
299.10294	3.9
299.13766	1.4
300.05786	4.6
301.15488	2.2
302.13748	2.4
313.11676	1.8
315.04993	1.8
315.13324	3.3
317.11337	43.2
318.12054	28.2
319.12729	4.3
319.16342	2.6
325.15530	1.7
333.14719	1.6
343.16486	4.7
353.14972	7.6
371.16052	15.7
386.14127	1.3
436.18640	2.8
452.18137	3.6
454.19748	14.0
470.19232	5.5
471.19934	5.9
472.20816	23.8
507.98669	1.4
589.26337	5.3
599.25104	1.9
607.27545	6.3
617.25903	10.3
635.27124	77.0
636.27191	2.4
653.25922	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.3
60.04530	0.9
65.03937	1.4
69.07058	1.0
69.61934	0.9
70.06585	3.1
70.73840	2.8
81.07066	1.3
82.06572	1.1
83.06929	1.1
84.04518	1.4
84.08144	3.6
84.90188	0.8
86.09694	4.7
91.05486	2.8
93.05805	2.8
93.07053	1.7
94.06577	1.5
98.06059	2.9
107.07359	1.5
107.08609	1.1
108.04475	1.8
108.08118	60.0
109.06519	1.4
118.06529	2.2
120.08121	3.0
121.02826	1.3
122.06009	1.4
122.09743	1.1
124.07588	1.2
129.10249	2.1
132.08118	2.2
134.06067	1.5
134.09654	3.0
135.04472	1.5
135.08107	1.0
136.07578	79.3
137.05992	1.8
138.09152	2.8
140.07062	1.4
146.06023	1.3
147.06772	1.4
148.07584	2.3
150.09154	1.5
152.07091	1.3
154.08623	2.6
160.07593	3.5
162.09163	10.3
163.03955	1.4
164.07057	15.2
166.08727	2.0
168.06564	3.0
174.09157	2.4
175.08699	1.0
176.07030	1.3
177.06660	1.1
177.10252	3.3
178.08644	10.0
180.10172	10.4
188.07072	3.2
190.08580	6.0
201.10257	1.9
202.08664	3.3
203.08080	1.7
205.09682	5.4
206.08171	9.8
208.09685	20.2
218.08165	2.1
219.11304	3.9
220.09641	1.1
225.10312	1.6
227.11681	1.8
228.10193	1.3
231.11330	1.4
243.11259	1.2
244.09616	1.5
245.96127	1.1
247.10837	4.1
248.09018	1.2
257.09100	1.8
265.11832	100.0
266.12122	1.2
271.10678	2.3
283.14566	1.5
285.12430	1.5
287.13806	1.2
289.11832	14.1
290.12494	1.5
291.13324	3.6
291.16824	1.0
294.15024	1.0
295.05853	1.5
296.06039	1.4
297.06622	1.2
307.05820	1.4
308.06601	1.9
317.11374	8.2
319.13071	1.1
325.15405	1.5
326.16052	3.3
327.07443	1.4
337.06671	1.1
338.07278	1.3
343.16455	8.0
353.14890	4.2
371.15927	6.9
380.08432	1.2
381.08658	2.7
393.08859	1.2
415.68854	2.3
429.10861	1.6
436.18472	1.6
452.18253	2.2
454.19855	5.5
470.19189	6.0
472.20734	21.2
495.11908	1.9
589.26355	2.8
599.13251	2.2
607.18610	2.0
607.27704	31.0
617.13348	2.7
617.23706	1.2
635.27051	68.9
636.26532	2.4
653.28796	1.7
684.14142	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.3
65.03938	0.8
67.05499	1.2
68.95538	0.5
70.06599	0.7
70.99786	1.1
79.05484	0.6
80.05012	0.5
80.51362	0.4
84.08140	1.0
91.05494	1.5
93.05795	1.0
93.07067	1.0
93.27951	0.4
94.06577	1.3
95.04972	0.5
96.04531	0.5
96.08149	0.7
98.06065	2.0
106.06543	0.6
107.08590	0.5
108.04499	1.2
108.08125	23.4
109.06511	1.1
110.06049	0.7
110.09671	0.8
111.08131	0.6
117.06964	0.4
120.08099	1.6
122.06033	1.3
122.09663	1.0
123.06814	0.4
124.07607	1.0
132.08086	1.2
134.09621	2.1
135.08054	0.9
135.09068	0.5
136.07587	61.8
137.05975	0.7
137.08253	0.4
138.09138	4.0
140.07111	1.1
144.08061	0.6
146.06062	0.8
146.09615	0.5
147.06816	1.3
148.07561	2.1
150.05479	0.5
150.09164	2.1
152.07053	1.2
154.08658	1.8
155.09958	0.5
159.10495	0.5
160.07607	2.9
162.05510	0.8
162.09149	4.6
163.08669	2.0
164.07076	18.9
166.08618	3.3
168.06572	1.4
172.07619	0.8
174.09212	2.2
175.08652	0.8
176.07069	1.3
176.10718	0.9
177.06659	0.7
177.10243	2.7
178.08640	9.5
180.10168	3.4
184.07593	0.5
186.09196	0.7
187.08678	1.0
188.07053	2.8
189.10316	0.6
190.08638	4.1
191.08162	0.7
191.11809	0.6
192.10300	0.7
199.08623	0.5
200.10655	0.7
201.10208	2.4
202.08682	3.1
202.12321	0.6
203.08183	1.3
205.09735	5.5
206.08134	11.7
207.08873	0.7
208.09720	5.0
212.07011	0.5
213.10046	0.7
215.08174	0.8
217.09749	1.6
218.08144	3.1
218.10318	0.8
219.11258	3.5
220.09648	3.1
226.08604	0.6
228.10431	0.7
229.09729	2.5
230.08083	1.4
230.11937	0.6
231.11378	0.8
243.11269	1.1
244.09845	0.7
247.10860	3.3
248.09164	0.9
257.09116	1.3
257.12695	0.6
265.11847	100.0
266.12033	0.8
267.11295	0.7
271.10773	1.6
289.11810	13.5
290.12427	2.2
291.13434	2.1
299.10355	1.1
301.15427	1.2
315.13531	0.6
317.11319	7.6
318.12042	1.8
325.15579	1.5
343.16510	5.4
353.14954	6.2
370.17776	0.7
371.16034	14.0
382.65045	0.6
401.16681	0.5
436.18542	1.5
452.18057	3.4
454.19778	7.3
470.19305	4.4
471.19733	0.6
472.20779	4.1
589.26465	1.3
599.25476	0.6
607.27441	3.4
617.26044	4.0
618.24097	0.7
635.27130	54.0
636.27667	2.6
653.29199	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.261
Annotation	Trichagmalin B
Peak:m/z	Relative Intensity
53.60485	1.0
55.05514	1.5
56.36516	1.0
57.03439	4.2
67.01864	1.6
69.78873	4.6
72.37291	1.2
75.06688	1.1
89.06045	5.3
93.07079	1.3
110.94835	1.3
119.83475	1.0
125.02345	12.1
143.03412	6.9
157.04977	11.1
249.13995	1.9
312.14963	1.1
324.98389	1.3
394.17477	1.4
403.15158	1.4
405.21164	1.4
407.18362	1.5
417.16815	1.9
421.20496	2.2
423.21881	2.1
431.18936	1.8
433.20517	3.2
447.22235	2.9
449.19925	2.3
451.21356	2.3
475.21390	3.9
477.19363	4.5
485.19763	2.5
489.19409	1.3
490.19391	1.7
491.20993	2.7
501.18964	4.7
502.20206	1.6
503.20807	8.8
504.17365	1.6
505.22888	1.5
515.21057	2.0
516.21478	1.4
519.20386	3.7
533.21930	3.4
534.22644	1.8
549.24567	1.5
560.20050	1.4
561.22095	1.2
575.22925	3.1
579.22443	21.3
580.22961	1.8
593.23840	19.6
597.27124	2.3
603.22620	4.2
607.25623	3.6
621.26642	2.2
625.26416	14.4
635.25171	10.7
653.26025	100.0
654.26587	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	653.261
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06615	2.7
67.05518	1.8
71.48577	1.2
86.09716	12.7
95.08605	1.4
100.11264	39.5
101.06048	1.3
101.72546	0.9
108.68079	1.3
139.01683	1.1
149.02348	1.1
211.12195	1.2
217.07437	1.1
223.12361	1.5
228.15971	2.9
237.10344	1.5
285.21704	2.7
312.14896	1.2
313.24899	3.0
314.12891	1.5
341.24625	5.0
363.16510	1.5
376.17047	1.2
377.17786	3.1
389.17935	1.6
391.19260	8.7
392.19910	2.9
401.17725	1.5
405.20761	3.8
406.21768	2.6
407.22531	2.4
414.14313	1.9
418.18341	1.4
419.18045	5.6
422.17416	1.4
431.18839	2.0
433.20200	2.0
434.21036	1.8
435.17712	1.5
436.19073	1.5
449.19891	1.3
451.21207	7.9
459.18344	2.4
461.19260	2.2
463.25620	2.1
465.22662	4.0
466.19922	2.1
472.34174	1.5
473.19632	1.8
474.20383	2.4
475.21225	2.2
479.20731	33.6
489.23242	7.4
491.24152	1.8
493.22223	4.7
494.23306	5.0
501.19012	2.3
502.20181	1.8
506.19626	1.9
507.23825	3.6
517.22418	46.6
518.22662	1.7
519.20026	2.1
523.23322	1.9
533.21387	1.3
535.23407	29.5
551.22827	6.8
561.21210	3.8
566.25433	4.2
579.22437	26.0
580.22620	1.4
593.24036	5.8
594.24768	16.2
603.22760	1.2
621.23358	20.1
622.24139	2.6
625.26685	4.2
625.45422	11.3
626.62823	1.3
635.24780	4.5
653.26013	100.0
653.44232	3.5
654.26166	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	653.2606
Annotation	Trichagmalin B
Peak:m/z	Relative Intensity
50.81029	0.8
55.33141	0.9
66.38001	1.0
67.05522	1.6
69.14475	9.8
81.07042	1.0
91.54007	0.9
93.07043	1.0
98.21514	2.3
99.93567	1.0
137.74936	1.2
164.07050	1.0
218.01387	1.0
223.08862	1.2
249.10229	1.5
283.11066	1.0
298.13211	1.1
313.12296	1.1
326.16473	1.0
338.12869	1.8
340.14462	1.9
354.12036	1.3
354.16281	1.3
363.16333	1.2
366.12503	1.2
368.13937	1.2
375.16342	1.6
376.17004	1.9
377.17798	2.0
385.14474	1.5
387.96756	1.1
388.17017	1.5
389.17752	3.5
390.18497	4.6
391.19171	11.6
392.20169	2.4
396.13174	1.4
401.17880	2.1
402.18695	1.4
403.19537	2.3
404.20471	2.1
405.20877	10.3
406.21658	4.0
407.22217	1.3
410.11188	1.1
417.16769	1.9
417.21490	1.8
418.17676	1.8
419.22498	3.8
420.23215	1.6
428.15961	2.2
431.18729	3.1
433.20203	5.6
435.17993	1.6
445.21109	1.4
447.21805	2.8
449.19839	9.1
450.20520	3.0
451.21289	2.5
458.17508	1.2
459.17746	1.4
460.18451	1.5
461.19547	5.7
463.21640	6.1
464.22437	2.5
465.22961	8.9
468.40012	1.2
473.19855	4.7
477.23502	2.0
478.23932	1.6
479.20029	8.0
487.22025	2.3
489.19595	3.4
491.20837	4.2
492.21594	1.8
493.22473	26.3
494.22708	2.0
500.17877	1.1
501.19199	6.2
502.20331	1.2
505.18954	3.8
506.23172	1.7
507.23978	12.3
509.22073	1.6
515.20679	5.5
516.21674	3.2
517.22485	6.5
519.20239	4.5
523.23584	5.0
533.21930	4.6
537.25616	11.4
538.25488	2.9
549.24927	1.8
551.22882	28.2
552.22937	1.3
561.21368	9.6
562.22205	1.5
565.24457	20.2
566.25256	100.0
567.25653	3.7
575.22864	4.1
593.23993	44.7
603.21985	1.6
621.23419	33.6
622.23730	1.2
625.26526	9.6
635.25122	10.7
653.26093	82.5
654.26318	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2611
Annotation	Trichagmalin B
Peak:m/z	Relative Intensity
57.03237	0.8
57.03446	8.4
67.01872	1.1
70.88969	1.7
77.47955	0.8
77.90752	1.0
86.09700	1.3
89.06046	8.6
100.11273	3.5
125.02363	16.2
143.03389	10.1
154.24559	0.9
157.04990	16.6
182.09862	1.0
192.78160	1.0
193.17200	1.0
195.09198	1.6
195.79196	1.1
209.10771	1.6
221.10815	2.0
223.12296	1.4
225.13892	2.0
230.20015	1.0
235.12372	2.0
237.13939	2.3
238.14610	2.3
239.15454	1.1
247.12257	1.4
249.13910	1.4
251.11755	1.1
251.15451	2.7
263.11963	1.4
286.13736	1.1
287.20328	1.2
326.13116	1.1
338.16602	1.1
354.16214	1.0
363.16287	2.9
375.16156	1.4
376.17032	1.5
377.17850	4.3
378.18756	2.6
388.17563	1.6
389.17725	2.9
390.18857	1.7
391.19724	5.3
392.20053	2.7
393.20941	3.3
403.19824	2.1
405.16711	2.0
405.20990	3.5
406.22083	1.2
407.22858	4.9
415.15228	1.3
417.17151	3.4
417.21677	1.6
418.17786	1.2
419.18451	1.4
419.23093	1.4
421.20404	4.2
423.22214	1.5
424.20135	1.3
430.18277	1.5
431.18845	3.3
432.19598	2.2
433.20419	3.5
434.21146	1.5
435.22269	7.0
436.22705	1.4
437.19943	1.2
441.23215	2.2
445.20294	3.4
446.16769	1.2
447.22409	6.4
449.19836	3.1
451.21573	6.1
452.19696	2.0
459.17883	2.1
461.19168	2.1
461.24384	1.9
463.21313	2.3
465.19363	3.9
466.20313	2.3
473.20276	4.4
474.16080	1.6
474.21765	1.9
475.22195	5.5
477.18692	6.4
479.20752	12.9
484.18552	1.5
485.20102	5.3
487.21970	2.1
488.18579	2.6
489.23114	3.1
491.21155	5.3
492.21698	1.8
495.22260	1.1
501.19016	6.7
502.19754	4.4
503.20978	14.2
505.17865	5.9
507.24033	2.9
515.21149	4.9
516.21454	3.4
517.22437	18.0
518.22516	1.4
519.19519	6.3
520.21094	2.1
521.25336	3.4
522.25458	2.1
527.22589	1.4
529.19617	1.0
532.21826	1.7
533.21820	6.6
534.22406	1.9
537.21393	1.7
537.25116	1.5
547.23132	2.1
549.25146	18.4
550.22687	1.5
551.22870	6.7
560.20386	1.7
561.21436	2.3
565.24561	7.7
566.25128	14.1
566.74591	1.1
575.23016	8.0
578.20972	1.7
579.22412	40.6
580.22766	2.2
581.27759	1.8
593.23962	47.8
594.24695	4.3
595.21655	1.1
597.27118	3.7
603.22363	3.0
607.25842	5.3
609.27148	7.0
621.23920	3.2
625.26599	53.4
626.27521	2.0
635.25067	41.7
636.25073	2.0
653.26080	100.0
654.26563	5.3
662.26862	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	24.0
55.01866	6.0
57.03441	1.7
60.64031	1.7
61.02928	3.0
67.05491	1.8
68.99793	4.5
69.03432	17.2
70.06580	2.2
70.86491	5.0
71.04993	5.2
73.02910	5.5
79.05489	4.7
81.03419	40.7
81.07067	3.5
83.04978	4.9
85.02914	32.9
87.00832	23.8
91.05460	2.4
95.04972	3.2
97.02895	41.7
99.04458	30.0
103.03947	10.2
105.01866	20.9
105.07020	1.7
107.04979	2.8
109.02884	87.2
109.06526	1.6
111.04454	2.2
115.07362	1.5
122.15807	2.1
123.04478	3.5
125.02355	2.2
127.03922	82.5
129.01877	3.4
129.07040	2.9
135.04402	2.6
142.07803	2.9
143.08566	2.8
145.04947	22.7
145.10167	1.8
147.02853	4.1
151.03946	2.2
153.05452	2.8
155.08578	3.9
158.07253	2.2
159.02922	16.0
159.08075	3.4
169.10036	1.7
171.08089	3.0
172.08859	1.9
173.06001	2.1
175.07524	6.3
179.03438	4.7
181.06543	2.4
183.08037	4.6
185.05992	5.2
185.09615	3.8
187.07501	2.5
187.11389	2.0
188.08289	2.2
189.05423	2.7
189.09163	2.1
191.10680	5.4
197.04456	5.0
197.09590	1.8
199.07600	3.5
200.08267	2.7
201.05446	2.5
201.09164	5.3
203.10680	32.2
210.06776	4.2
211.07521	3.5
212.08310	2.0
213.02254	1.6
213.03906	6.2
213.05661	13.8
213.09041	3.7
215.07138	2.2
215.10728	4.7
217.08714	5.4
217.12225	6.0
219.10208	5.7
225.09073	12.9
228.07854	5.4
229.12288	4.9
231.04958	16.9
240.79195	1.9
241.08571	2.4
241.12129	2.1
243.10181	100.0
245.11754	4.6
249.06163	3.4
251.06953	3.1
261.11234	30.8
283.04599	1.8
285.11032	2.0
301.05554	1.8
307.13242	11.4
325.14301	8.5
343.15247	2.1
351.12253	4.2
397.05215	1.9
405.16739	1.9
429.15405	13.1
447.16312	2.3
518.17560	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.0
55.05512	0.6
56.05037	6.0
56.29662	0.5
57.05815	0.5
58.06596	1.3
67.04238	1.3
67.67770	0.6
68.05033	4.1
69.03429	1.8
69.05804	1.0
69.07073	0.6
69.31421	0.9
69.31830	3.5
69.67578	0.5
70.06593	8.2
79.05505	1.0
80.05019	2.0
81.05790	0.8
81.07068	1.2
82.04235	0.7
82.06567	2.1
83.07347	0.6
84.04504	0.7
84.08159	3.4
85.02889	1.8
86.06068	10.5
86.09697	1.6
87.03201	0.7
87.04463	0.7
91.05492	1.3
93.07027	1.2
94.06558	2.3
95.07341	0.8
95.08611	1.1
96.04456	1.0
96.08134	1.9
97.05278	0.5
97.08886	0.5
98.06086	2.8
98.20777	1.1
98.55047	0.5
102.05544	0.5
105.07040	1.4
106.06588	0.5
107.07354	0.6
107.08591	1.5
108.08118	4.6
109.02920	0.9
109.05254	1.4
109.08903	1.7
109.10128	1.1
110.06086	2.7
110.07133	0.5
111.06795	0.7
112.07597	0.8
114.05535	39.7
119.08598	1.4
120.08130	1.1
121.10123	0.8
122.06017	1.9
123.06837	1.4
124.07594	29.9
125.08378	10.4
125.09320	0.8
125.09677	0.7
127.03909	0.7
128.07086	4.9
131.08604	0.9
134.06021	1.0
135.06795	1.9
135.11684	0.6
136.07585	18.4
137.04782	0.8
137.08379	6.4
137.09460	1.0
138.09157	5.3
140.07095	1.7
142.08647	1.9
147.08055	1.3
148.07515	0.7
151.08650	1.3
153.04214	2.0
154.05032	0.7
159.09177	0.8
161.06038	0.8
162.09186	0.6
163.06325	1.5
165.10243	0.7
168.06583	6.0
169.07355	61.1
171.04434	4.1
172.01199	0.5
172.85373	0.5
173.09790	0.5
176.10733	1.6
178.12323	0.8
179.08208	1.2
180.08853	0.8
180.12622	0.9
181.07349	35.6
182.08098	3.0
186.07637	2.6
189.05478	0.6
190.01122	0.5
192.08939	1.1
204.13818	1.4
205.91124	0.5
206.10565	3.0
215.03493	0.6
218.10507	2.0
220.12079	2.7
224.11618	2.2
227.65700	0.6
234.11314	0.8
247.13141	4.4
248.12843	2.3
249.13780	1.2
250.14645	0.7
252.11047	1.0
263.10229	1.9
264.11066	40.4
275.12576	1.1
293.13672	1.6
303.13571	1.4
319.15256	4.5
321.16733	1.2
331.13083	0.6
331.16602	2.1
332.17303	1.2
339.17905	6.5
347.14905	2.4
364.15237	0.7
365.15839	100.0
366.16214	2.2
383.16882	24.7
406.23273	0.6
432.21317	4.8
433.22086	7.4
447.15387	0.9
450.15714	6.2
450.21799	1.0
451.23203	2.3
473.17072	2.7
491.18008	2.2
493.19250	0.6
533.19208	5.3
588.23749	0.8
634.23932	22.6
635.24066	0.8
652.24786	5.3
652.91443	0.6
653.23438	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.3
55.01879	3.8
55.05273	2.5
55.05517	34.1
57.03438	10.8
57.07091	2.6
60.48878	2.1
65.03935	3.6
67.05512	100.0
69.03436	28.8
69.07079	15.5
69.52279	2.0
69.93977	1.9
70.42873	1.8
71.04974	6.8
71.48851	3.2
73.02901	2.8
79.05071	3.7
79.05500	38.2
81.03426	59.7
81.06599	3.4
81.07066	67.0
83.04993	26.3
83.08631	15.8
85.02882	3.8
91.05486	31.6
93.07061	34.3
95.04971	9.5
95.08619	39.6
97.02898	15.9
97.06557	6.8
97.10180	17.3
99.04469	6.1
105.07045	25.9
107.04974	4.5
107.08601	28.7
109.02881	8.3
109.06525	4.0
109.10170	53.9
111.04457	9.2
111.08105	2.8
116.14182	2.0
117.07012	13.6
119.08585	18.1
121.06496	4.5
121.10151	15.3
123.11710	4.9
125.09649	14.5
127.03915	11.0
128.06219	3.1
129.05496	10.5
129.06998	10.2
131.08597	21.2
133.10135	15.5
135.08075	5.2
135.11684	10.1
137.09639	4.9
139.11232	3.1
141.07072	3.3
143.08562	9.0
145.10106	10.9
147.11668	10.0
149.09673	3.6
149.13251	5.8
151.11179	2.2
155.08574	3.9
155.10725	4.5
157.10170	5.8
159.08015	2.8
159.11731	9.4
161.13284	6.4
163.11235	4.2
164.23003	2.1
165.12790	2.1
169.10135	5.7
171.10306	2.8
171.11707	5.2
171.28790	2.1
173.09735	2.1
173.10326	2.1
173.11748	16.3
173.13293	5.9
175.14748	3.1
183.11736	4.0
185.13240	4.5
187.14813	2.4
189.11327	10.9
195.73656	2.0
199.14774	3.5
211.14929	3.6
227.12834	16.5
229.14330	28.9
241.19756	2.4
245.13924	3.6
259.20462	2.6
261.22168	4.3
263.23547	2.7
277.21716	4.6
289.21677	3.0
299.14911	3.7
301.21603	6.9
303.23123	2.7
319.22592	2.6
335.25897	10.1
337.27515	12.9
345.24002	2.2
351.23117	6.0
369.24182	11.2
371.17035	7.0
373.18610	5.1
387.25400	3.7
405.26047	3.2
443.27762	4.3
453.07733	2.1
461.28848	3.5
479.30069	4.6
489.35696	5.7
507.36841	5.4
597.37933	2.9
615.38556	6.9
633.39825	18.3
651.40826	12.9
672.47467	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	651.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74132	2.0
53.03939	7.3
55.01869	4.2
55.05511	23.0
57.03430	15.2
59.04991	2.7
65.03938	3.3
67.05506	100.0
69.03430	25.5
69.07073	15.0
69.27578	10.0
69.28008	9.5
71.04984	8.7
73.02903	2.2
79.05495	35.4
81.03418	36.7
81.06593	3.8
81.07059	65.1
83.04981	16.1
83.08609	12.1
85.02895	4.8
85.06539	3.8
91.05479	31.2
93.07048	35.4
95.04946	10.3
95.08606	32.9
97.02915	10.4
97.06520	5.1
97.10167	9.5
98.21484	3.7
99.04449	2.9
103.03922	3.6
103.05494	2.5
103.47359	2.1
105.07030	23.4
107.04969	3.2
107.08599	21.5
109.02854	5.8
109.06509	4.6
109.10159	61.3
111.04433	9.8
111.08080	8.3
117.07056	12.5
119.08582	28.7
121.06472	4.6
121.10129	13.4
123.08045	3.6
123.11719	5.5
125.09644	8.3
127.03936	4.9
129.05475	7.7
129.06999	7.1
131.08575	17.2
133.06506	3.4
133.10135	14.9
135.08052	5.1
135.11688	7.6
136.73161	2.3
137.05983	2.9
137.09610	4.2
141.06979	5.0
143.08553	5.3
145.06520	3.4
145.10109	12.8
147.08101	2.9
147.11703	10.1
149.09645	3.1
149.13258	6.3
155.08626	2.7
155.10675	5.3
156.70349	2.2
157.10175	9.0
159.11694	9.9
161.09573	4.2
161.13254	5.9
169.10172	5.4
171.08031	2.8
171.11728	5.1
173.09613	3.5
173.11745	18.7
173.13124	4.0
175.11186	2.9
175.14775	4.4
183.11742	4.4
185.13219	5.2
187.14827	4.2
189.11227	8.0
195.11731	2.9
197.13124	3.1
199.14848	3.2
203.10643	2.6
207.05470	2.5
209.13318	3.2
217.15955	2.2
226.06969	2.1
227.12689	11.7
228.52829	3.2
229.14330	40.9
245.13826	3.0
261.22089	5.5
277.21643	3.5
289.21652	3.3
297.21698	2.3
301.21701	5.8
303.23297	4.5
315.23117	2.3
317.24673	2.8
327.23026	2.6
335.25650	6.2
337.27478	6.4
345.23929	3.1
351.23233	5.4
369.24173	10.2
371.16898	5.7
373.18619	3.2
373.54413	2.5
387.25748	4.7
405.26462	4.4
461.28806	4.7
479.30142	4.1
489.35846	4.5
559.36249	3.3
597.37805	3.8
615.38440	10.1
633.40198	20.7
651.28284	3.6
651.41077	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	651.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	8.4
57.03448	3.1
60.17300	2.8
68.99788	6.2
69.03413	3.4
69.63603	12.6
70.06589	9.3
72.08155	5.7
74.00742	2.9
81.03392	3.1
81.07005	2.8
84.08142	2.9
85.02924	25.9
87.00864	4.8
91.05476	3.2
97.31001	2.9
102.05515	3.2
103.03944	4.8
108.08150	2.8
109.02869	3.4
111.04474	3.3
113.89819	2.5
119.04945	13.8
120.08131	3.1
121.02882	68.5
136.07567	8.9
137.74348	3.0
141.51372	3.2
145.02866	8.2
145.06589	3.1
159.04410	6.1
161.02477	3.5
163.03906	5.0
165.01895	2.9
171.04358	3.3
173.02440	4.1
177.01945	5.6
187.03949	6.0
189.01822	18.7
191.03435	8.7
195.02858	6.3
201.05453	3.7
203.03326	23.6
205.04990	5.3
207.02913	10.6
215.03450	9.9
217.05005	13.3
219.02921	4.9
221.04396	4.5
227.06998	16.6
228.34506	3.8
229.04851	4.7
231.02939	4.1
233.04382	4.8
243.02924	4.5
245.04541	5.9
257.04474	5.5
267.06479	4.2
268.07315	6.4
279.06781	7.3
281.07974	7.3
283.05957	10.6
291.06790	5.6
293.08087	9.6
294.05222	29.2
295.06015	66.6
296.06754	8.7
297.07581	10.0
305.07999	5.5
307.06015	85.5
307.09314	4.6
308.06833	29.1
309.04370	5.6
309.07507	28.6
313.07178	4.8
319.06003	12.6
320.06888	15.9
321.07553	68.4
322.08228	16.7
323.09280	9.4
325.07068	82.8
329.07944	7.4
333.07556	33.5
334.08340	6.6
335.09146	34.1
337.07074	87.7
337.11145	4.4
339.08789	7.0
345.07608	16.5
346.08075	4.2
347.09109	17.5
349.07098	50.8
349.10989	6.0
350.07623	4.2
351.08685	40.3
355.08060	21.1
359.09097	4.4
361.07104	27.4
363.08591	26.7
365.10318	8.3
367.08136	12.7
373.07007	15.9
375.08734	23.4
379.03394	4.1
379.08127	81.3
387.08499	9.0
389.10300	4.9
391.08109	83.3
401.10150	9.2
403.08151	24.9
405.09720	8.3
409.09219	92.5
415.08096	9.6
417.09628	8.0
419.11359	6.6
421.09399	21.5
427.10300	100.0
429.09418	4.9
433.09094	19.0
439.10089	5.8
445.11542	20.7
451.10107	18.7
457.09354	13.1
463.10117	6.6
469.11432	19.6
475.10156	12.9
493.11252	26.8
495.09039	14.0
505.10919	4.0
511.12491	12.2
513.10388	33.6
517.11346	5.2
523.11884	5.8
525.10767	20.0
543.11761	27.0
549.10229	5.3
553.13525	15.2
561.11176	9.2
567.11444	27.1
579.11365	17.0
585.12292	29.2
597.12518	68.9
615.13306	31.7
633.14783	15.6
651.15637	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	650.4183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.9
55.01871	5.0
55.05513	20.2
57.07073	4.8
61.77592	3.2
65.03939	4.1
67.05508	27.2
69.03420	12.4
69.07076	19.1
69.72743	15.1
71.04980	4.0
79.05502	39.0
81.03443	3.6
81.07060	61.5
83.04552	2.9
83.04980	20.0
83.08614	14.7
85.06560	7.9
91.05482	53.9
91.71310	3.2
93.07053	66.8
95.04974	79.8
95.08624	34.6
97.06522	13.7
103.05469	6.6
105.07037	100.0
107.04945	3.2
107.08603	54.1
107.13528	3.4
108.05789	4.2
109.06559	23.1
109.10144	21.7
111.08090	5.0
113.05942	3.9
115.05455	8.6
117.07021	18.0
119.04937	3.4
119.08591	69.5
121.06517	27.7
121.10153	51.2
122.22967	3.0
123.08105	18.5
123.11769	3.5
125.09641	10.3
128.06226	14.2
129.07018	22.3
130.07790	9.7
131.04892	3.1
131.08583	38.4
133.06517	8.2
133.10149	36.1
135.08087	11.5
135.11714	8.7
137.09540	4.7
139.07555	3.2
141.07007	12.3
142.07793	29.2
143.08565	53.3
144.09331	10.3
145.06519	5.6
145.10136	59.8
145.11176	5.6
146.07220	4.7
147.08023	17.5
147.11703	17.5
148.08809	3.9
149.09665	19.4
153.06964	5.9
154.07718	3.7
155.08556	20.2
156.09346	18.7
157.10143	63.6
158.07271	5.7
158.10934	8.6
159.08032	19.1
159.11681	34.6
161.09619	19.9
161.13284	5.3
163.11218	9.8
165.06975	7.1
166.07813	3.7
167.08609	11.1
167.10699	42.5
168.09348	7.0
169.10129	30.9
170.10945	11.1
171.11710	24.2
172.08841	5.6
173.09641	14.0
173.13333	19.3
175.11229	10.8
179.08551	17.4
180.09361	7.8
181.10150	21.2
181.12254	3.3
182.10918	8.5
183.11728	21.6
183.54587	3.6
185.09634	4.0
185.13271	18.0
187.11203	11.5
187.14908	3.5
189.12721	6.9
190.13274	2.9
191.08679	4.1
191.14345	5.2
192.09392	9.5
193.10141	19.2
194.10913	10.9
195.11725	27.2
196.12447	9.6
197.13307	23.2
199.11270	6.3
199.14862	11.4
201.12822	3.7
203.14299	6.8
205.10184	6.8
206.10863	10.2
207.11693	24.6
208.12471	13.0
209.13252	29.2
210.14047	4.9
211.11243	6.5
211.14859	14.8
213.12766	9.8
217.10170	3.0
217.15886	3.9
218.10835	3.8
218.16689	7.4
219.11685	9.7
220.12479	8.2
221.13261	16.0
221.15157	4.0
223.11429	3.1
223.14940	16.5
225.12843	7.3
225.16449	6.4
227.14348	9.8
229.10118	4.0
231.11758	4.8
232.12512	5.8
233.13257	11.3
233.15408	20.6
235.14867	11.5
237.12668	4.9
237.16412	8.4
241.15797	4.5
245.13251	7.4
246.14081	5.7
247.14816	7.7
249.16409	16.0
250.17174	5.6
251.17909	5.7
253.19688	4.8
255.17404	6.4
257.13403	3.9
259.14816	5.1
260.15521	4.0
261.16492	5.5
263.18100	14.7
264.18600	3.7
265.19568	8.4
267.17484	5.7
275.17865	6.8
277.19418	6.3
277.76001	4.1
281.19150	4.4
282.19797	5.4
285.18741	7.3
286.19241	3.7
289.19431	7.5
291.17096	3.7
293.19080	4.9
295.20587	4.6
299.20181	5.9
303.21060	3.3
317.18909	5.4
328.20404	5.1
335.20157	4.2
373.25198	33.4
391.26312	39.2
392.26694	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	649.4103
Annotation	Uncarinic acid A
Peak:m/z	Relative Intensity
50.36129	0.5
53.03950	0.6
54.93119	0.5
55.05507	3.2
57.03432	0.5
57.07073	1.3
65.03925	0.5
67.05510	3.8
69.07063	5.3
69.79993	1.6
69.80404	1.2
79.05479	3.2
80.13390	0.4
81.07059	8.1
83.08613	4.7
83.20844	0.5
89.03926	6.3
90.57201	0.5
91.05494	3.0
93.07048	6.4
95.04960	0.8
95.08612	17.0
97.10154	0.8
98.20854	0.6
105.07040	9.6
105.67631	0.5
107.08597	12.3
109.10162	8.8
117.03387	15.5
117.07027	1.1
119.08585	16.3
121.06435	0.6
121.10149	9.5
123.11713	5.3
125.09634	0.6
131.08591	3.9
133.10133	12.4
134.03630	1.8
135.04399	1.7
135.08125	0.6
135.11693	7.8
137.13257	1.8
143.08578	1.3
145.02852	43.6
145.10121	6.6
147.11694	10.2
149.05986	7.9
149.13295	4.6
151.14827	0.9
153.09073	1.0
157.10138	1.6
158.06000	0.6
159.11693	6.9
160.12511	0.7
161.13263	5.7
163.03937	3.0
163.14845	4.3
169.10185	0.8
171.11691	1.8
173.13290	3.9
175.14857	8.8
177.05478	100.0
177.16389	9.5
178.05911	1.0
185.13304	0.7
186.05498	2.2
187.14781	3.8
189.16386	20.2
191.17995	3.3
195.06540	32.7
199.14825	1.7
201.16373	15.3
201.18214	0.7
203.17960	19.0
205.15886	1.3
207.17477	3.4
208.57143	0.6
213.16408	5.5
215.17969	13.4
217.19525	1.9
219.17421	1.1
221.15384	0.8
221.19037	0.8
227.17899	1.2
229.19560	2.1
231.17358	0.6
235.16891	1.5
239.17955	0.7
241.19504	2.0
243.21027	1.8
247.16954	4.1
249.18571	2.0
253.19643	0.8
255.21034	1.5
259.16998	1.5
261.18503	4.1
267.21027	1.4
289.21658	0.9
295.23822	0.6
299.19937	1.0
315.23199	0.5
329.24567	0.9
365.32108	1.1
391.33609	6.6
409.34656	6.3
411.32584	5.8
437.28082	1.1
437.34152	20.2
438.34485	0.7
553.77307	0.6
615.42041	0.6
649.39111	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3023
Annotation	Gnidilatidin
Peak:m/z	Relative Intensity
51.28127	1.2
65.29083	1.3
66.68206	1.1
67.05527	1.2
68.30598	1.3
69.27020	2.9
69.27420	9.4
98.20802	3.0
105.07117	1.3
112.45847	1.1
119.08593	1.5
166.72446	1.2
167.26738	1.2
261.58716	1.3
356.55716	1.2
360.97067	1.3
380.37781	1.3
401.17764	1.4
403.19336	1.7
417.20990	2.7
431.18481	3.9
433.24112	2.7
443.18826	1.5
444.19238	1.6
445.19968	8.6
446.20508	1.5
447.22018	2.1
459.22128	6.8
460.22763	4.7
461.23569	3.8
473.19324	6.4
487.21140	2.7
501.22818	1.8
503.24811	6.3
515.24908	2.0
519.23920	1.4
547.27295	11.3
561.25317	3.8
589.28058	20.4
607.29218	1.8
649.30243	100.0
650.30609	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	647.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.2
64.96050	0.7
67.05500	0.9
69.03425	1.3
70.06600	0.7
70.89006	0.5
71.47877	0.8
71.48349	0.8
73.29385	0.6
79.05478	0.7
80.50122	0.6
81.07065	1.4
83.04967	0.7
85.02937	1.1
86.09707	1.1
91.05489	1.8
93.07055	1.2
95.04967	0.8
95.08632	0.9
99.04480	0.7
105.07035	1.7
107.08611	1.0
109.02902	0.7
119.08623	1.2
120.08105	0.8
121.06562	0.8
121.10159	1.4
145.10150	1.8
149.09682	1.0
155.08446	0.8
163.11278	0.6
175.45584	0.7
309.19064	0.7
345.14639	0.8
438.12961	0.8
453.16101	1.0
454.16718	2.6
467.13281	1.5
468.14377	0.9
469.18668	1.8
472.17737	0.9
480.14572	1.0
481.14658	4.5
482.15854	25.4
483.16370	2.1
495.16641	2.0
496.17560	7.5
497.18262	74.3
498.18597	4.7
509.18817	3.2
510.18832	2.4
511.19858	0.8
515.19220	2.3
524.20428	4.1
538.20898	1.3
541.16772	3.3
553.20953	1.3
556.19574	100.0
557.19989	7.1
569.20435	9.8
570.20374	1.0
574.20319	1.9
587.21301	3.6
597.21124	4.5
600.19141	0.8
629.22467	55.6
630.22797	3.5
647.24634	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46438	0.6
64.87334	0.7
70.18169	2.9
98.20839	1.0
103.36084	0.7
105.07025	0.9
142.06448	0.9
182.09471	0.8
182.55461	0.7
184.54350	0.7
317.86993	0.7
340.47736	0.7
384.12186	2.4
398.13834	3.0
399.14679	9.5
400.15335	3.0
411.14496	0.8
412.15472	5.8
413.16064	15.2
414.16949	44.7
415.17459	4.0
425.16034	1.1
426.17017	3.2
427.17752	16.2
428.18332	14.0
429.18790	1.3
430.16672	1.1
432.19019	1.4
440.18494	1.3
441.19370	12.5
442.20081	12.2
443.14117	2.5
443.20734	25.9
444.14243	1.4
444.20520	1.7
445.19684	1.5
454.16156	1.6
455.21097	1.6
456.15536	0.8
456.21283	1.2
457.15063	7.3
458.15891	21.8
461.21930	2.0
467.17593	0.9
468.17856	2.8
469.18756	25.0
470.19562	4.4
471.18076	2.5
472.17554	7.8
473.18451	7.4
474.18579	1.2
481.14648	1.8
482.14966	1.0
483.20770	1.5
485.18924	1.6
486.18906	2.7
487.19794	19.6
488.20306	2.7
494.16110	1.2
495.16782	3.0
496.16888	6.5
497.17880	1.8
498.15936	1.0
498.22604	2.2
501.21194	1.7
509.18338	4.4
510.18649	3.8
511.19702	3.4
513.17786	16.3
514.17389	0.9
516.23737	29.7
517.23804	1.1
523.19977	1.1
524.20313	1.5
525.21368	19.3
526.21674	20.7
527.20227	3.4
528.20020	2.3
542.21033	2.3
543.22449	28.7
544.22754	10.7
545.20776	1.8
546.21234	1.0
556.19110	9.5
559.22797	2.6
560.22711	100.0
561.23126	3.8
575.24878	3.5
585.22980	1.4
586.21570	2.0
587.22119	9.5
588.21753	10.7
590.20135	2.3
601.23010	12.5
603.24249	5.1
619.24487	4.5
629.22491	53.6
630.22748	2.8
647.23755	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	647.2262
Annotation	Mulberrofuran O
Peak:m/z	Relative Intensity
55.93212	2.1
61.89170	2.3
64.38010	1.7
72.18103	1.9
74.37753	1.9
76.96641	2.0
79.05482	2.4
81.07047	2.2
95.08624	2.8
96.33797	2.0
98.20753	6.2
117.77517	1.8
142.29773	1.9
395.86224	2.6
487.43478	2.0
553.20459	10.5
571.21582	2.5
597.19019	4.8
603.24377	2.8
629.21338	13.6
647.22754	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	646.203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.1
53.95384	0.3
53.97169	0.3
55.01852	1.1
55.05494	0.3
55.24534	0.3
57.03442	1.6
61.02912	0.7
67.05485	1.4
67.17898	0.3
69.03428	5.4
70.06570	1.5
71.01344	0.6
71.04967	0.7
71.07780	0.4
72.08145	0.3
73.02907	1.0
74.06052	0.7
78.03449	0.5
79.05483	0.5
81.03421	5.0
81.07036	0.5
81.75616	0.3
84.08119	0.9
85.02907	5.4
85.06522	0.4
86.09688	0.9
87.00818	1.0
87.04458	0.5
91.05447	0.6
95.04894	0.3
95.08599	0.4
95.17978	0.3
96.04529	0.3
97.02902	2.6
99.04478	1.5
99.23784	0.3
102.05512	0.3
103.03963	0.8
103.05457	0.8
105.07024	0.4
106.02943	2.7
107.04942	1.7
109.02890	4.6
110.12164	0.4
116.07109	0.6
119.29488	0.3
124.03963	3.9
127.03917	4.5
131.04886	0.7
133.06456	0.4
134.04623	7.4
135.03023	0.7
135.08047	0.6
135.62476	0.3
137.05936	1.7
140.02774	1.0
144.06558	0.5
145.04953	0.9
148.08699	0.4
149.99962	0.3
151.07555	0.8
152.05690	2.0
158.07129	0.6
159.02869	0.9
161.06026	2.4
161.09618	0.5
163.03917	0.3
163.07565	1.7
165.02325	6.9
167.02632	1.1
175.09778	1.0
181.05463	1.6
181.08621	0.6
182.04964	100.0
183.05205	1.0
183.06714	0.3
184.07402	0.4
185.08263	0.8
187.06007	0.6
189.09102	1.3
190.03111	1.2
194.04953	4.0
200.09334	1.6
201.10071	0.5
204.04649	0.5
205.05405	3.9
207.10196	1.3
209.08089	0.5
215.03726	0.6
216.04648	2.7
219.06985	1.5
221.08545	0.9
224.06007	1.0
227.06927	0.4
231.06996	13.1
232.07056	0.4
233.07277	0.7
248.09656	28.1
250.07149	0.5
266.10721	36.1
267.11084	0.5
268.08170	1.5
295.06058	0.7
311.12790	0.4
314.09125	1.5
325.07074	0.5
380.13947	0.9
386.11389	0.6
398.15152	3.3
416.13303	0.5
428.16031	0.8
470.17065	13.0
484.10040	0.6
514.16052	35.0
515.16339	0.6
531.11279	0.5
584.72998	0.4
598.22894	3.6
602.21234	4.3
628.18982	0.4
646.20154	19.3
647.20074	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
55.05509	0.8
60.42257	0.6
62.28893	0.4
67.05502	1.1
69.03437	1.5
69.07048	0.5
69.83418	1.4
69.83829	1.1
70.06593	1.6
71.04992	0.4
72.08152	0.6
75.81129	0.5
78.93755	0.5
81.03436	0.6
81.07057	2.0
81.86208	0.5
83.05000	0.6
84.08163	1.3
85.02923	0.7
85.06556	0.7
86.09708	1.8
91.05476	0.8
93.07041	2.0
95.04967	1.1
95.08620	1.7
97.02898	0.7
97.06535	0.5
99.04465	0.5
105.07033	0.9
107.08608	1.1
109.02843	0.6
109.06516	0.7
109.10181	1.0
119.08567	1.1
120.08154	1.2
121.10133	1.0
123.08085	0.7
125.09641	2.1
127.03973	1.2
133.10150	1.0
135.08026	0.6
135.11774	0.7
137.05887	0.6
137.09682	0.5
138.87344	0.6
145.10153	0.8
151.07552	0.6
152.49567	0.5
163.14810	0.7
167.07101	0.6
191.07088	0.7
226.56415	0.5
241.13380	0.7
286.01434	0.5
287.10107	0.6
325.11771	1.2
331.21136	1.5
343.12793	0.6
345.01935	0.6
349.22498	1.3
361.22781	1.8
367.23547	1.0
379.24081	2.0
396.24741	0.7
397.25595	15.8
438.67023	0.5
541.29578	1.2
559.30884	6.8
583.30872	4.3
601.31921	35.1
602.32617	1.5
627.29956	3.0
645.30951	100.0
646.30975	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07078	1.0
60.29011	0.7
67.55490	0.7
70.52122	0.7
74.00219	0.7
81.07096	1.2
87.25575	0.7
88.70846	0.7
89.06055	4.0
97.68618	0.8
115.45640	0.6
133.08633	1.2
141.00713	0.7
146.49814	0.9
178.42189	0.7
215.82150	0.8
325.70181	0.8
403.20407	2.0
498.20313	1.0
499.21106	2.4
521.19434	1.3
526.20300	1.0
537.22363	3.6
539.20746	1.2
569.24835	1.3
573.25067	1.3
585.24713	9.1
586.25439	1.0
595.22772	1.8
613.24445	5.9
627.25934	1.1
645.26874	100.0
646.27454	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	645.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.5
55.05524	0.6
58.63061	0.4
67.05507	0.5
68.97594	0.4
69.03435	1.4
70.06599	1.7
70.82174	0.7
70.82494	0.6
72.08167	0.5
79.05491	1.0
81.07075	1.8
84.08148	0.9
85.02909	1.2
85.06560	0.5
86.09687	0.9
91.05489	1.0
93.07063	0.6
95.04981	0.6
95.08646	1.7
97.02927	0.6
97.06602	0.6
99.04510	0.6
105.07040	0.7
107.08605	1.1
109.10195	0.5
111.08105	0.6
119.05046	0.6
119.08622	0.8
120.08183	0.6
121.06532	0.6
121.10208	0.8
123.11707	0.8
125.09651	2.0
127.03979	0.7
131.08583	0.4
131.12126	0.4
133.10147	0.6
135.08069	0.6
135.11792	0.7
136.07593	0.5
137.09590	0.5
143.08508	0.5
145.10194	0.5
148.01939	0.4
157.10081	0.7
159.11812	0.5
167.07068	1.0
171.11734	0.4
191.07080	0.5
198.09337	0.5
243.11426	0.9
285.12460	0.9
301.71323	0.5
303.13455	0.9
331.21246	2.0
349.22232	2.1
361.22696	1.5
379.23859	1.5
397.25684	6.0
416.66690	0.5
439.26724	0.8
541.29596	1.9
555.20294	0.5
559.30951	6.1
583.31195	3.1
598.52661	0.6
601.31891	37.2
602.32471	1.0
627.29657	0.9
645.30933	100.0
646.31299	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	645.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95428	1.5
56.15432	1.5
59.17900	1.4
59.81441	1.3
61.02938	1.5
66.92656	1.4
67.05522	2.2
71.00020	1.6
71.00345	2.4
72.08147	1.4
80.96944	1.3
83.83477	1.1
85.02944	1.4
88.79303	1.2
91.03967	1.3
95.48264	1.4
105.07035	1.6
109.83204	1.4
131.08543	1.4
145.10258	1.3
206.70314	1.5
296.23749	1.5
313.14011	1.4
363.14429	1.4
427.14325	3.5
441.15488	1.4
453.15652	2.9
454.12930	1.5
455.13000	1.9
462.08997	1.3
469.15314	3.9
483.15518	1.5
484.17706	1.5
495.16589	2.2
497.13904	7.0
511.12256	1.4
512.17053	6.0
513.17657	4.9
525.17511	4.3
526.18835	1.8
539.19830	2.8
540.16461	5.5
541.20483	2.5
544.16339	1.6
549.18152	2.2
567.18475	2.9
569.20349	2.9
585.19769	11.8
595.18896	2.4
613.19360	100.0
614.19403	4.4
617.20404	1.8
631.20361	2.6
645.21918	56.6
646.22852	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	645.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21136	0.5
59.24275	0.6
69.71813	2.4
71.33755	0.5
93.85059	0.6
122.95016	0.5
176.29877	0.5
289.39169	0.5
384.12811	0.7
385.13083	0.8
389.57629	0.6
394.57260	0.6
396.12982	0.6
398.13727	0.6
399.14670	1.1
400.15424	3.4
408.12460	1.3
409.13187	1.0
410.14502	0.8
411.15076	1.2
412.15497	1.4
413.16180	1.5
414.16052	1.3
421.12827	1.2
422.13876	4.1
423.14651	5.9
424.15347	1.6
425.16107	1.6
426.16989	1.8
428.16595	0.9
429.17645	1.6
435.14725	2.7
436.15662	5.4
437.16223	11.3
438.17331	3.0
439.17783	1.9
441.14496	1.0
441.19278	3.1
442.17383	0.9
447.14844	0.7
449.16296	2.2
450.17450	3.5
451.18701	4.6
452.19156	3.7
453.15598	0.9
454.16559	1.3
455.17288	1.7
456.18042	1.7
457.16620	0.9
464.15152	1.9
465.15494	2.8
465.19894	2.0
466.15900	1.0
467.17511	2.7
468.14243	1.0
469.14191	0.9
469.19586	1.3
470.16174	1.7
478.16769	1.6
479.17386	2.7
480.18137	5.0
481.14331	2.7
482.15942	1.9
483.16888	2.0
484.17383	1.6
492.14148	1.0
493.19400	5.8
494.16138	4.1
495.16428	5.9
496.17340	2.1
497.18381	3.3
498.15100	5.0
506.16187	1.2
507.16742	1.6
508.17639	5.7
510.19882	3.9
511.20294	3.1
512.16174	5.1
521.18262	7.9
522.14905	8.9
524.16296	1.1
525.17578	6.5
526.14691	3.7
533.17798	1.1
535.15942	1.2
538.18365	1.7
539.19232	9.1
540.19843	2.4
546.55035	0.6
549.18164	1.9
551.19360	2.8
557.20740	0.9
566.19635	0.6
567.18756	55.7
568.19183	2.1
577.17297	1.8
585.19519	6.4
586.20343	1.8
595.18219	12.6
599.21686	5.6
608.21484	1.9
613.19708	1.5
617.22308	0.9
627.20898	100.0
628.21118	3.7
645.21692	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	645.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
69.88393	2.5
69.88811	1.3
144.25107	0.8
162.39766	0.7
175.43633	0.7
217.60847	0.8
242.51299	0.7
282.37848	1.0
349.97070	0.8
385.13245	1.4
396.13440	1.1
398.13943	1.2
399.14609	4.3
400.15442	4.2
409.13141	1.2
410.14536	1.5
411.14874	2.1
412.15692	1.2
413.16309	4.5
414.16867	2.6
421.12885	2.3
422.13794	4.4
423.14578	5.6
424.15378	2.2
425.16675	1.2
426.17087	1.8
427.17801	2.8
428.18253	2.2
429.18875	2.4
435.14722	3.0
436.15485	3.4
437.16263	10.6
438.16968	3.2
439.18445	1.2
440.14142	1.2
441.20468	4.2
442.17572	1.3
444.14365	1.1
449.16046	1.1
450.17230	1.3
451.12863	1.3
451.18811	3.8
452.18579	2.9
453.16077	1.8
454.16568	1.5
455.17233	2.3
456.17856	2.4
463.13895	1.0
464.15149	1.6
465.15662	3.1
465.20187	1.2
466.12860	1.2
467.17496	3.3
469.14752	2.7
469.18970	2.8
470.15881	1.2
478.16824	1.8
479.17227	2.5
480.18533	4.4
481.14777	4.9
482.15063	2.0
483.16241	5.5
484.17297	2.9
488.16226	1.0
492.14313	0.9
493.18585	4.5
494.16156	5.1
495.16589	7.4
496.17416	3.4
497.18002	4.4
498.14957	4.2
501.18292	1.3
502.22363	1.7
505.19019	1.7
507.16666	3.1
508.17459	4.9
509.15289	2.5
510.19073	3.5
511.16141	3.7
511.19833	4.6
512.16541	7.9
513.17474	1.6
521.18335	8.3
522.14984	8.2
523.17139	1.7
524.16901	1.4
525.17963	7.7
526.15222	2.2
529.21210	1.1
535.16425	2.6
536.15631	0.9
539.19293	20.6
540.18933	8.6
541.18286	1.5
549.17798	2.2
551.19342	10.2
553.17041	5.6
557.20392	3.4
558.20911	1.5
567.18793	49.8
568.19482	1.4
571.21863	2.8
577.17389	1.4
585.19611	18.5
586.20233	4.8
595.18146	11.7
599.21442	26.2
608.21710	2.1
613.19409	17.0
617.22693	2.4
627.20917	100.0
628.21600	3.8
645.21942	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74836	1.0
70.06586	3.4
71.47784	1.0
72.08172	1.3
81.07045	1.3
85.02906	1.3
86.09715	2.3
91.05485	1.6
93.07038	1.9
95.08591	1.6
107.08569	1.5
131.04938	3.7
145.06454	1.7
147.04391	2.7
157.10118	1.3
159.04399	1.5
161.05969	1.3
175.07516	3.3
184.05829	1.2
184.07332	4.4
189.09172	1.3
201.09166	2.6
215.10771	1.0
230.49115	1.1
333.11243	2.8
348.13736	1.7
349.14368	21.8
400.86639	1.1
429.13214	3.5
440.01358	1.0
440.17828	1.1
449.14948	1.2
450.16168	1.6
456.20004	1.1
463.17160	1.2
464.17270	3.0
478.14551	1.8
480.16925	0.9
480.20023	0.9
482.15009	1.5
489.14688	1.3
490.15167	3.5
491.15686	1.3
492.16553	4.0
493.17023	2.4
495.18878	4.2
497.16806	1.4
505.17401	15.9
506.18271	3.7
507.19583	5.4
512.19342	5.3
518.18018	2.4
519.18945	2.1
520.20105	24.3
521.20227	2.2
522.19843	1.8
532.19537	1.4
534.17627	4.3
535.18512	9.2
548.19128	2.7
550.20898	100.0
551.21100	4.0
553.19745	2.6
576.18799	1.5
594.19873	73.4
595.20154	3.9
612.21082	22.0
613.20715	1.5
626.22229	6.3
635.22156	1.3
644.23401	20.2
668.33893	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.8
55.01860	8.6
55.05514	17.5
57.03443	20.4
57.07069	2.7
65.03941	6.0
67.05511	62.5
69.03420	2.3
69.07077	15.4
69.11514	2.1
71.04986	5.0
71.48872	2.3
79.05499	47.3
81.07067	50.6
83.04972	5.1
83.08611	9.0
85.06550	14.0
91.05490	38.4
93.07053	41.4
95.04980	48.8
95.08609	29.5
97.06516	5.0
97.10135	4.5
105.04499	2.2
105.07052	27.0
107.04974	12.7
107.08595	22.4
109.06526	68.4
109.10202	10.3
111.04426	3.1
111.08061	3.7
113.06016	31.6
117.07021	15.7
119.08591	16.7
121.06516	4.9
121.10150	13.5
123.08067	4.8
125.09605	2.8
129.07021	8.1
131.08595	18.0
133.06514	4.0
133.10123	8.5
135.08067	46.6
135.11676	8.8
142.07753	2.5
143.08540	8.2
145.10136	13.4
147.08026	7.5
147.11676	6.2
149.09622	5.1
149.13301	3.6
155.08514	2.4
155.20587	2.3
157.10143	8.5
159.08115	3.7
159.11713	6.9
161.09602	9.2
163.11221	4.2
171.11746	5.6
173.13377	4.6
177.12840	2.5
183.11699	2.9
185.13333	2.6
187.11165	3.2
199.14807	3.4
203.14146	2.4
217.15903	13.4
241.14479	2.3
273.18521	41.6
279.15771	2.5
291.19565	100.0
292.19885	2.0
335.25800	35.0
347.22223	6.4
365.18112	3.2
365.23163	7.0
409.20261	5.7
423.22266	4.7
435.22342	2.4
437.23651	3.5
452.21954	2.7
453.23340	3.7
463.21335	3.3
465.22943	4.1
467.24185	3.9
478.24872	2.6
479.24405	4.8
490.22574	2.4
495.27130	6.8
496.24411	2.9
497.25699	5.0
507.23911	2.9
508.25186	2.6
523.27185	6.2
524.24054	2.9
527.30164	3.7
538.25671	2.4
539.26855	13.9
540.27356	3.9
555.29327	7.9
567.26086	12.4
571.29175	15.4
581.27631	16.8
582.27423	2.8
583.25720	10.8
599.28589	21.0
607.43304	4.4
611.25238	20.4
612.25269	2.9
625.44598	25.9
643.26471	4.2
643.43695	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	643.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26596	0.7
65.33257	0.8
67.05502	2.2
69.27674	2.2
69.28079	6.7
79.05489	1.5
81.07056	2.0
91.05470	2.3
93.07104	1.0
97.69427	0.8
105.07032	2.4
107.08569	1.5
108.17671	0.9
115.05492	0.8
119.08556	1.2
128.65768	0.9
131.08577	1.4
132.04323	0.9
173.13229	1.0
196.09941	1.0
199.08565	1.2
209.10886	1.6
210.11485	2.8
211.08521	1.2
211.12325	1.1
212.09390	0.9
223.08698	2.1
224.09389	1.2
225.10275	2.7
225.13847	4.5
226.10994	2.1
227.08131	1.0
237.10182	4.4
238.11031	2.9
239.11763	3.2
240.12488	1.6
241.13379	3.0
251.11896	1.9
253.09590	1.4
253.13379	23.5
255.14963	1.1
263.07977	1.2
265.09827	5.0
279.07916	1.9
281.09512	1.1
293.09134	4.9
295.11032	0.9
311.10178	0.9
314.13187	1.1
321.08701	2.7
325.11932	5.5
329.11856	1.7
331.13525	9.2
353.11374	2.7
386.15036	1.6
400.16486	1.7
412.15848	1.1
419.14566	1.6
424.13422	0.9
433.16959	2.0
446.16989	4.7
447.18701	1.3
449.19983	1.1
461.20538	1.1
462.20267	1.2
463.21625	1.5
475.18051	1.6
476.18738	1.2
477.18842	1.7
489.15097	1.3
491.20761	3.1
503.17007	1.5
505.22214	2.1
509.18234	2.1
518.19257	1.4
533.21844	6.1
535.19690	1.4
537.25049	1.8
556.26361	1.3
561.21356	3.5
565.24573	11.1
583.22412	1.6
593.23981	100.0
594.23999	4.1
611.24945	2.3
625.26398	5.8
643.28076	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	643.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75746	0.5
55.05511	1.7
57.03428	0.9
63.27322	0.6
66.86876	0.5
67.05509	2.9
67.21465	0.5
69.07066	1.5
69.13109	6.2
76.52813	0.6
79.05524	3.5
80.47591	0.5
81.07059	4.1
83.08630	1.1
91.05490	2.5
93.07055	3.0
95.08614	2.6
101.73627	0.5
105.07068	1.5
107.08611	2.0
107.28796	0.5
109.06509	0.7
109.10162	1.3
117.07052	1.2
119.08583	1.6
121.06472	0.7
121.10176	1.1
123.08003	0.8
129.07031	0.6
131.08586	1.3
133.10159	1.1
135.11707	0.9
143.08562	0.7
145.10101	1.0
147.11623	0.6
149.13257	0.6
157.10112	0.8
171.11682	0.6
187.14793	0.5
221.10808	0.7
222.11595	1.1
223.12332	1.1
224.13170	0.7
235.12355	1.5
236.13168	0.9
237.13953	1.6
238.14751	1.8
247.12314	0.9
249.13960	1.6
251.11810	0.9
251.15671	1.3
261.14001	2.1
262.14743	0.7
263.11829	0.6
265.13464	0.8
273.18588	1.3
277.13446	1.1
279.14966	1.1
291.19565	4.0
314.16537	1.4
315.17136	0.7
324.14633	0.8
325.15512	0.7
335.25964	2.6
339.16464	0.8
340.17746	1.2
341.18185	0.7
352.17340	0.8
353.17877	1.7
354.18573	2.3
358.19003	1.2
363.16342	1.4
364.17139	1.2
365.17743	2.3
365.23270	0.8
366.18948	1.1
367.19409	1.0
368.20270	1.0
369.20740	6.2
375.16296	2.3
376.17609	0.6
377.17807	0.9
378.18903	1.2
379.19385	5.3
380.20166	1.1
381.17038	1.1
381.21326	0.9
388.17538	0.8
389.17770	2.0
391.19293	2.3
392.16028	0.9
392.20670	0.9
393.17166	1.9
393.20966	2.3
394.18005	0.6
397.20126	3.8
403.19366	2.4
405.17023	1.5
407.18500	1.7
407.23160	0.8
408.18918	0.7
409.20428	1.9
415.15823	0.6
419.18875	1.1
421.15814	1.0
421.20361	1.9
424.19583	1.2
425.19824	6.4
426.20844	0.7
434.17294	1.0
435.22208	1.1
436.18610	1.3
437.19897	4.3
441.23306	0.8
448.19177	1.6
449.20038	5.2
450.20529	1.7
451.21411	1.8
452.22433	1.7
453.23010	1.3
455.24927	1.1
456.25241	2.2
463.21826	4.3
464.18646	2.4
464.23541	0.8
467.25101	3.2
469.22318	1.0
477.22803	1.9
478.19696	3.5
479.24808	4.9
480.21619	1.8
481.22235	0.8
482.23526	0.9
484.24887	2.8
491.20859	1.7
495.24054	6.2
497.21902	1.2
505.22266	0.7
507.23611	0.9
508.20996	4.7
510.22699	2.1
511.23413	0.8
512.24261	7.2
523.23499	27.1
524.23700	1.9
533.21893	1.5
551.23090	6.4
555.26447	0.7
579.22424	12.2
583.25562	28.5
584.26093	1.1
593.20355	0.7
597.27960	0.7
611.24976	15.3
615.28290	2.1
625.44574	2.0
643.27643	100.0
644.27789	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	643.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57932	3.4
55.05521	5.1
57.07064	6.2
67.05503	15.4
69.07072	4.5
69.23509	36.8
79.05478	10.8
81.07050	18.6
82.83215	3.7
83.08630	4.7
84.54299	3.3
89.06045	3.8
91.05484	13.3
93.07045	10.1
95.08609	11.0
105.07060	9.8
107.08593	8.2
119.08584	9.1
121.10163	5.9
131.08568	4.8
133.10123	10.1
149.38821	3.4
173.13286	4.4
182.08423	3.6
214.01613	3.8
266.69501	3.6
291.19211	5.7
335.25858	5.2
366.18881	5.1
367.19113	4.8
381.20776	17.3
394.17688	7.4
395.18652	6.1
407.18152	5.8
408.19897	4.6
409.20261	51.0
411.21860	10.6
421.20398	10.3
422.20947	5.8
423.22141	24.2
424.22476	13.6
435.22421	5.3
436.22958	5.7
437.24030	20.9
438.20715	4.5
439.21439	6.5
451.20966	8.0
452.21585	8.7
465.23032	7.1
479.24545	11.7
481.22479	11.5
482.20959	8.9
493.21826	6.3
494.22723	5.3
495.23700	11.1
496.23233	4.9
497.25528	11.0
499.23190	12.9
508.24649	4.6
509.22180	5.3
513.25116	11.5
523.22675	7.5
525.25037	9.6
527.26178	4.9
535.94836	4.7
539.26764	8.4
541.24091	11.8
555.29816	40.3
557.27588	12.7
567.25653	12.7
583.25409	38.2
584.26349	21.1
599.28644	70.0
600.26056	9.6
601.17120	7.3
601.26556	94.3
611.25037	92.2
625.44568	5.1
643.27753	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	643.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.4
55.05513	2.4
55.84546	0.7
57.03438	2.1
66.95076	0.7
67.05508	5.8
68.41536	0.7
69.07062	2.1
71.49103	1.2
79.05502	4.5
81.07050	5.3
85.06549	1.5
91.05492	3.0
93.07063	4.6
95.04958	4.0
95.08613	3.5
98.73828	0.7
105.07034	2.8
107.04978	0.8
107.08588	2.6
109.06503	4.6
109.10136	1.1
113.06026	2.7
117.07050	1.8
118.06524	1.3
119.08611	2.4
120.08120	1.2
121.10139	1.2
130.06520	0.9
131.08569	2.4
132.08121	1.7
133.10106	1.8
135.08078	4.6
135.11716	1.5
144.08104	1.2
145.08995	0.9
145.10181	2.3
146.06032	0.8
146.09676	1.8
147.08057	0.8
148.07561	0.8
158.09792	0.8
159.09189	1.1
164.10622	0.7
168.08159	0.9
171.09201	0.8
173.10829	0.8
189.10234	1.1
195.09158	0.9
196.11308	1.2
197.10786	1.3
209.10786	2.5
211.12431	1.6
217.15881	0.9
221.10764	1.9
222.11510	1.0
223.12372	2.6
225.13892	1.6
232.10005	0.9
233.10773	1.9
234.11574	1.5
235.12347	2.8
235.28119	0.7
236.13004	0.8
237.13922	2.7
239.11966	1.0
239.15410	1.3
246.11563	0.6
247.12384	3.1
248.12061	0.8
249.10225	1.0
249.14099	3.3
251.15425	1.0
258.11401	0.8
259.12308	1.7
260.12259	1.3
261.13940	3.0
262.13519	1.6
263.11749	1.7
263.15543	1.6
264.15225	0.9
265.13297	0.8
271.12375	1.1
272.11960	0.6
273.13770	1.9
273.18594	2.7
274.13580	1.5
275.15152	1.6
277.13373	1.6
281.12888	0.7
286.13574	1.2
287.15173	1.3
288.15775	1.7
289.16516	1.3
291.14609	0.9
291.19519	8.7
292.14282	0.7
298.13477	0.9
299.15039	0.9
300.15225	1.3
302.13077	1.6
303.13898	1.4
303.17511	0.8
304.14511	1.7
306.16107	0.8
314.16641	2.3
316.14886	1.4
316.18335	1.2
318.16110	3.0
324.14801	1.5
326.16629	2.8
330.16150	1.2
332.13971	1.2
332.17627	1.3
335.25766	3.6
337.15363	1.1
338.16531	1.0
339.17032	1.2
340.14447	1.1
340.18204	2.2
344.14053	1.2
349.15509	1.0
350.16367	1.8
351.16452	2.5
352.17987	3.5
353.17914	2.3
354.15839	1.0
354.19806	1.3
356.17523	1.1
356.21317	0.9
361.14923	1.0
362.16339	1.4
363.16611	3.2
364.17810	3.0
365.17862	4.3
365.23056	1.4
366.19446	3.3
367.19577	2.2
368.17041	1.2
368.21152	1.2
370.15012	0.8
374.16382	0.9
375.16501	2.3
376.17606	2.3
377.18085	3.8
378.15338	1.5
378.19370	2.3
379.15176	1.2
379.19315	7.3
380.16220	1.0
380.20502	2.1
381.16779	1.0
381.21085	3.2
386.18738	1.0
389.18002	2.4
390.19003	2.4
391.19492	5.9
392.21036	3.8
393.16992	3.8
393.21442	5.9
394.18250	2.8
395.18405	3.9
395.23053	1.2
397.17242	0.8
403.19601	1.7
404.20938	1.1
405.16382	0.9
405.21600	3.4
406.17969	1.2
406.21976	1.3
407.17972	6.2
407.22656	3.9
408.19022	5.5
409.20160	11.4
410.21100	2.2
417.17477	1.5
418.18198	1.1
419.18744	2.1
419.23352	1.0
420.19748	2.4
421.19974	9.4
421.24884	1.3
422.21259	6.5
423.21930	23.2
424.22403	2.7
425.23697	1.4
426.21259	1.2
431.19092	1.4
432.11945	1.7
432.20267	0.9
433.20294	2.6
434.21613	1.9
435.22241	10.3
436.23184	7.3
437.24136	8.8
438.21414	1.0
439.21399	1.6
441.23260	0.8
443.22308	1.0
446.21329	3.3
447.22336	3.5
449.19193	2.2
449.23648	3.4
450.19324	1.2
450.24216	2.4
451.20853	5.7
451.25272	7.6
452.22025	2.8
453.23615	5.5
454.19565	4.8
461.23679	10.1
462.20581	1.1
463.20346	3.6
464.22287	3.2
465.23239	7.9
466.20270	2.2
467.20465	2.1
467.25504	1.4
469.26468	1.9
475.21271	1.2
476.22379	1.5
477.22955	2.8
478.23587	2.0
479.24374	12.5
480.25940	6.1
481.22018	16.9
482.23077	6.6
483.23688	1.6
491.21133	1.1
493.22507	2.5
494.23276	13.6
495.23425	8.0
496.24603	11.4
497.25638	14.8
502.23599	2.0
505.22656	2.2
507.24286	5.2
508.25064	3.7
509.21524	4.8
510.27347	1.2
511.27716	5.5
512.27881	4.2
521.25012	0.9
522.24469	1.6
523.23193	21.6
524.24164	12.2
525.24835	1.3
527.30029	3.2
535.23370	1.5
537.21509	1.1
538.26306	1.6
539.26880	22.1
540.26984	2.1
541.24646	4.1
549.25354	1.0
551.22858	5.2
552.23749	1.6
555.29889	4.6
556.27136	5.9
557.27795	1.0
567.26105	26.2
568.24603	2.6
569.24103	8.1
571.29883	5.7
581.27673	10.3
582.26050	2.3
583.25562	53.2
584.26123	9.6
593.23987	1.8
599.28668	81.0
600.29291	3.4
601.26538	3.3
607.43488	1.0
611.25024	100.0
612.25220	3.7
625.26398	0.9
625.44141	3.8
643.27539	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	643.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29022	0.3
55.65596	0.3
58.89516	0.4
69.17939	1.4
69.18369	2.4
76.98317	0.4
102.13749	0.4
106.48978	0.4
111.03117	0.4
119.08555	0.4
140.65390	0.4
182.61044	0.4
396.12033	0.9
397.13107	2.3
398.13922	0.7
409.13181	0.5
410.13687	3.1
411.14594	6.1
412.15402	4.7
413.16187	3.0
423.14426	1.8
424.10876	1.0
424.16220	2.8
425.16241	12.8
426.16989	10.0
427.17685	2.4
428.18573	0.7
437.16885	0.9
438.13226	3.8
439.13571	15.2
440.19016	5.8
441.19327	34.9
442.19678	2.5
447.11176	0.4
451.13925	1.2
452.14426	5.0
453.15292	16.3
454.15863	5.1
455.16479	0.6
463.14056	0.9
465.15710	0.7
466.11801	0.5
466.16956	0.6
467.17212	25.6
468.17972	18.0
469.18921	12.7
470.18692	0.8
471.16498	0.6
472.18021	0.5
479.13455	0.6
480.17642	0.8
481.14828	15.0
482.15228	4.1
485.18140	0.9
486.19125	0.6
494.15887	0.5
495.15796	3.0
496.17126	17.0
497.17667	3.1
498.19525	0.9
509.18155	2.3
510.18372	0.8
512.20715	1.7
513.21490	0.6
514.22137	2.6
522.17554	0.5
523.19714	1.3
527.22620	3.0
540.20300	0.7
542.21954	0.9
555.22443	30.8
556.22571	1.7
568.18958	0.7
583.21936	100.0
584.22162	7.0
586.21185	0.8
587.25085	1.5
611.21143	1.9
614.23895	0.9
615.24542	12.7
616.24243	0.7
643.23926	67.7
644.24298	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34867	0.4
55.01879	0.8
60.16858	0.5
67.05494	1.0
69.35001	3.9
79.05481	1.1
81.07066	1.0
89.13702	0.4
91.05487	0.9
93.07032	0.8
95.08582	1.2
97.13538	0.4
98.21487	0.9
105.07031	0.6
107.08621	0.6
119.08547	0.5
131.08611	0.8
143.08482	0.5
220.17039	0.5
270.85739	0.4
273.18555	0.8
291.19662	0.6
392.19705	0.4
396.11795	0.9
397.12912	1.6
407.21820	0.7
409.12982	0.5
409.22427	0.7
410.13635	2.2
411.14490	5.6
412.15063	2.6
413.16061	1.6
415.14331	0.5
419.21768	0.5
422.24225	0.8
423.14932	1.1
423.24359	1.2
424.10828	1.4
424.15222	2.0
424.24857	1.2
425.16150	9.6
426.16861	5.9
427.17017	1.8
428.18723	0.7
436.25208	0.7
437.11444	0.7
437.16754	0.8
437.22943	0.5
438.12350	3.2
439.13303	7.8
440.19193	3.1
441.19315	23.5
442.19943	2.8
443.29709	0.6
446.19870	0.6
451.13831	1.1
452.14130	3.2
453.15350	10.0
454.16074	3.1
457.14755	0.5
458.14835	0.6
463.14383	0.5
463.20999	0.7
464.14688	0.7
464.21167	1.0
465.21606	1.2
466.16528	1.1
467.17267	20.8
468.17902	12.5
469.18817	10.2
470.18735	1.4
472.17325	0.8
477.21994	0.5
479.23447	0.5
481.14828	14.4
482.15451	4.5
495.16476	5.3
496.17068	29.4
497.17551	3.8
509.18228	1.6
523.19861	1.0
527.22815	1.4
528.19452	1.6
536.20020	0.6
537.20038	1.4
542.21344	1.1
547.25977	1.5
549.26392	1.6
550.24976	0.7
551.25964	2.7
555.22467	18.5
556.22571	1.1
565.27118	1.0
568.18793	1.2
568.32196	0.5
581.28815	0.9
583.21930	100.0
584.22314	8.5
587.24420	1.3
591.25397	0.6
592.26331	0.6
593.26697	8.9
599.28796	4.4
600.21777	0.6
607.27948	1.3
611.19238	0.7
611.28857	2.6
614.23962	0.6
615.24518	7.4
625.29333	16.6
643.23486	53.7
644.23639	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.3
55.73594	0.3
67.05521	0.3
69.24280	2.3
79.05518	0.3
81.07089	0.5
93.07056	0.3
95.61378	0.3
104.10757	0.4
105.07038	0.4
107.08586	0.3
119.08576	0.4
385.14185	0.9
397.13220	0.6
398.13843	2.1
399.14731	0.7
400.16528	2.4
402.14758	0.3
411.14606	1.8
412.15347	3.3
413.16382	1.8
416.14990	1.2
418.17789	0.9
423.14847	0.4
424.15491	0.8
425.12064	0.9
425.16599	1.0
426.17432	1.7
427.17810	8.0
428.15921	3.8
430.16501	0.4
435.14752	0.4
436.15421	0.3
439.13867	1.0
440.14145	1.5
444.14392	1.0
445.19171	0.8
446.17426	1.1
449.16104	0.3
453.15805	1.0
454.16721	0.5
455.17230	11.9
457.15100	0.4
458.16141	1.2
459.16751	2.2
459.46335	0.3
465.12308	0.8
466.12405	2.0
467.17999	0.5
469.19540	0.6
471.16922	1.0
473.17926	0.7
479.13480	0.6
480.14389	0.7
481.15091	3.0
482.15701	1.7
483.16705	18.2
484.17410	0.7
487.16171	3.7
488.16852	0.3
495.16660	1.8
496.17706	1.2
498.15393	0.6
499.16129	2.6
500.16739	0.6
509.14169	3.4
510.19574	0.9
511.16022	2.2
512.13812	0.8
513.18225	0.5
514.18695	0.4
523.16010	4.6
524.16858	1.1
526.14819	0.5
527.15643	25.0
528.15924	1.7
537.17822	2.3
538.18762	1.3
539.19324	34.2
540.19678	1.1
541.17108	0.7
542.18127	0.5
543.18677	0.3
555.18848	0.8
557.20587	0.4
565.17084	0.4
570.17670	0.4
572.19098	0.4
580.22382	0.8
583.19006	0.6
599.21136	0.7
600.18854	0.7
615.20923	30.0
616.21057	1.2
643.20410	100.0
644.20563	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	642.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.3
55.05510	6.2
57.03410	2.1
67.05511	21.1
69.07077	8.9
71.49155	2.2
73.81185	1.8
75.81818	1.9
79.05498	14.5
81.07070	16.7
83.08626	4.7
85.02917	2.8
91.05492	19.6
93.07055	16.9
95.04971	4.5
95.08588	11.1
97.06523	3.3
99.62028	1.8
105.07034	20.7
107.04984	2.4
107.08572	9.2
109.10149	3.8
117.07030	10.2
119.08569	11.8
121.10146	5.6
129.07005	8.5
129.20766	2.0
131.08588	15.5
133.10130	7.8
137.09584	2.5
141.07016	3.3
143.08560	10.4
145.10129	11.5
147.08162	2.2
147.11794	2.6
155.08557	5.4
156.38933	2.0
157.10194	5.1
159.11732	6.1
169.10008	4.3
171.11729	5.6
173.13248	3.7
183.11702	3.4
185.13373	3.3
188.66020	1.9
195.11658	3.2
198.18106	1.8
199.30782	2.0
233.15285	2.2
258.87488	2.0
275.20184	4.5
276.20428	2.1
353.24719	4.8
371.25708	7.3
389.26779	5.1
445.29507	100.0
446.30142	3.5
463.30573	29.8
642.29272	6.5
643.20685	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	641.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04075	0.3
52.84052	0.3
55.05510	6.0
56.05035	3.2
57.05803	0.4
57.10060	0.3
60.04533	0.6
65.03971	0.5
66.12013	0.3
67.05495	1.5
69.03426	0.5
69.07079	1.0
69.23741	2.3
69.24155	0.9
70.06593	1.6
72.08157	22.7
82.06573	2.8
83.04984	0.6
84.08146	100.0
85.06561	1.0
85.08475	0.7
88.03996	0.9
91.05488	14.7
94.06585	0.6
95.04935	0.5
99.01911	0.6
99.09252	1.8
100.07623	0.7
101.10781	3.3
102.09212	0.4
103.05466	2.3
105.03400	1.4
106.05021	0.5
106.06586	0.4
107.04964	1.9
110.06018	1.9
111.09210	3.4
112.07618	2.0
115.05434	0.5
116.04984	4.0
117.05795	1.3
118.06546	34.9
119.04948	3.0
119.07368	2.2
120.08116	10.8
120.08961	0.8
121.06506	2.4
123.09152	0.3
127.08699	4.2
129.10246	58.2
130.06511	1.3
130.10617	0.4
131.04924	1.1
131.07320	0.4
131.08595	0.3
135.06804	3.4
136.07581	22.5
139.08675	1.6
144.08109	0.5
145.10074	0.4
146.06012	45.4
147.04443	0.5
147.09204	0.5
148.07526	0.6
150.09123	0.6
151.08679	1.0
154.09850	0.5
155.08156	10.4
157.10133	0.5
158.09685	0.9
160.11252	1.0
162.05513	1.0
163.08678	0.8
164.07071	0.4
172.11276	1.1
174.05479	0.8
174.12801	4.3
184.11353	0.4
186.09198	1.6
186.12773	0.4
189.13910	0.5
200.10707	5.2
200.12369	0.5
201.13922	0.7
202.12305	1.8
213.13893	0.7
217.13342	3.5
218.14178	0.5
219.14957	2.5
221.09637	0.4
224.10756	1.0
228.10193	2.2
229.13364	3.5
236.10677	3.5
245.12845	12.7
247.14445	5.3
251.10277	0.7
253.13318	0.8
256.14536	1.2
257.12845	2.9
265.13519	0.4
269.11252	2.6
273.12228	1.7
274.15497	10.9
275.13879	0.8
281.12671	0.7
284.13733	0.4
290.14984	12.0
292.16394	1.9
300.13516	0.5
302.15097	0.7
317.06610	1.0
318.14670	1.4
336.15594	0.8
357.14362	0.5
364.19931	0.4
369.14761	0.6
373.22342	4.5
380.18900	0.5
387.66190	0.5
392.19601	1.0
397.20850	10.9
405.17911	0.6
409.22519	1.5
410.20398	0.5
419.20929	0.7
420.19235	0.7
423.18692	2.5
437.21750	4.1
442.16107	2.0
465.21255	1.5
497.23911	0.4
508.29050	1.5
513.23694	0.7
518.27557	0.8
524.24561	0.6
536.28705	10.2
542.26135	19.6
543.26849	0.4
552.24255	0.5
554.29822	0.7
570.16559	0.9
570.25568	17.0
623.31854	1.3
624.30493	0.6
641.32928	52.7
642.33270	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2973
Annotation	Scortechinone S
Peak:m/z	Relative Intensity
55.05526	0.5
62.81113	0.5
67.05502	0.7
70.56751	1.6
79.05493	1.2
81.07049	0.9
83.49207	0.5
85.23787	0.6
91.05493	1.0
105.07010	0.7
118.06525	0.6
119.08613	0.7
134.09647	0.6
137.25584	0.6
145.09036	0.5
166.08783	0.5
185.10764	0.7
196.09785	0.6
197.10793	0.7
207.09064	0.6
209.09102	0.6
209.10823	1.3
210.11549	1.7
211.12358	1.6
217.23769	0.5
221.10867	0.7
223.12344	1.9
224.13120	1.0
225.13899	2.2
227.11772	1.1
235.12314	1.2
237.13918	1.7
238.14630	0.8
239.11726	0.7
239.15486	1.6
251.08264	0.6
289.14240	0.8
304.14511	1.2
306.16113	0.8
307.10806	0.8
313.15668	1.5
314.16754	0.9
316.14493	0.7
318.16232	1.8
319.16959	1.6
320.17914	0.6
328.18100	0.7
331.17780	0.8
332.17685	0.9
333.18323	0.9
344.17645	1.2
345.18579	0.6
346.19507	0.7
347.20001	0.6
348.20767	0.8
354.12582	0.8
360.12225	0.6
370.15607	0.7
370.55505	0.6
374.18771	0.9
375.19632	1.1
377.17685	0.7
384.17203	1.8
388.19800	0.6
389.17322	1.1
390.18063	0.7
391.19345	0.9
392.19870	1.6
393.20685	1.6
401.17679	0.8
402.18640	1.8
403.19382	2.1
404.20023	2.1
405.20862	2.5
406.21515	3.1
407.22150	6.0
408.23193	0.7
412.16669	1.8
415.19485	1.8
416.20023	2.3
417.21069	3.5
418.22070	2.7
419.22498	3.1
420.23026	2.5
421.23798	4.7
422.24500	5.6
426.18295	0.8
427.19116	0.8
428.20364	0.8
429.21240	3.0
430.21933	3.2
431.22934	4.5
432.23312	1.3
433.24088	7.3
434.24606	5.9
435.21838	1.3
443.22482	1.8
444.19302	3.0
444.23825	2.0
445.24838	4.1
446.25003	1.0
447.18045	0.8
447.26062	1.1
448.19312	0.8
449.23489	1.4
458.25415	1.0
459.21179	3.2
460.22742	3.0
461.19632	1.6
462.20523	3.9
463.21292	3.4
472.22537	1.7
473.23679	3.9
474.24179	1.8
475.21573	5.1
476.22183	1.2
477.22928	14.7
480.22107	1.0
486.24030	0.8
487.24881	5.3
489.23483	1.4
490.23959	1.1
491.24612	4.6
492.24622	0.9
503.24234	1.2
504.24579	0.8
505.26196	3.1
506.26926	2.8
515.24597	0.9
517.21881	1.0
518.22913	0.7
519.27539	3.3
523.28125	0.8
531.24084	0.8
532.24554	1.5
535.23047	2.7
536.23895	0.9
545.25580	9.1
546.26099	1.6
547.27069	15.9
549.25049	10.2
550.25745	15.6
563.26685	2.5
564.27209	2.9
565.27100	1.0
566.24255	1.0
577.27716	1.1
579.29559	7.8
581.26367	1.0
591.26190	11.7
594.24738	0.7
605.27673	19.1
606.27600	0.9
609.27039	9.6
623.28656	100.0
624.29144	4.3
626.27203	1.5
641.30310	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	641.2971
Annotation	Moluccensin F
Peak:m/z	Relative Intensity
55.31653	1.0
59.64271	0.8
62.98748	0.7
67.05501	1.0
69.18708	0.8
70.07595	3.4
72.21584	0.9
79.81868	0.8
82.31533	0.8
93.41543	0.9
98.21432	1.1
100.06387	0.9
121.16895	0.9
129.20197	0.8
133.91022	0.9
154.99496	0.9
185.10812	1.0
194.66792	1.0
197.10730	1.6
209.10756	1.6
210.11534	1.7
211.12430	2.1
223.12299	1.7
224.13127	1.8
225.13806	1.9
227.11737	2.0
237.13831	2.0
238.14539	1.0
239.11877	1.9
239.15404	1.9
251.15393	1.4
267.11331	1.1
267.14795	1.5
269.12820	1.0
276.15018	1.4
277.16098	0.8
287.15573	0.9
290.16641	2.2
292.17957	1.4
300.14996	1.3
304.14719	1.6
304.18045	2.0
307.10718	1.2
313.15637	1.3
316.14413	1.2
316.17999	1.2
318.15900	1.5
319.16806	1.4
321.12460	1.2
330.16129	1.7
332.17520	1.3
333.18448	1.2
334.19348	1.2
343.17923	1.0
344.17493	1.4
346.18793	1.6
354.12518	1.5
369.14716	0.9
373.19116	1.1
374.18594	1.8
375.19824	1.2
384.17023	2.1
385.18732	1.0
389.21622	1.0
391.18906	1.3
392.19778	3.3
393.20743	3.0
401.17776	1.1
404.20184	1.1
405.20996	1.6
406.21207	4.8
407.22226	6.6
412.16418	3.2
417.21048	2.6
418.21286	1.4
419.22009	3.8
420.22787	3.0
421.23898	6.3
422.24387	10.8
426.17947	1.7
431.22769	1.6
433.16217	1.3
433.23825	1.7
434.18393	1.2
434.24622	8.5
435.22125	1.1
442.47061	1.1
444.19049	5.4
445.23795	2.6
446.24768	1.1
448.19312	1.4
459.21500	1.9
461.19220	1.4
462.19846	1.7
463.21219	11.6
472.22995	1.0
475.21548	4.2
476.20697	2.6
477.23221	4.7
487.24939	2.0
489.22784	2.3
490.24017	1.3
491.24496	3.8
494.26779	3.3
495.16794	1.6
495.27649	1.5
503.19916	1.2
505.25882	1.6
508.22424	1.6
517.22351	1.1
518.23450	1.8
519.27319	1.4
522.26074	1.7
523.26782	1.5
532.24432	1.2
534.22260	1.5
535.23395	1.7
545.25366	10.2
547.27124	9.6
548.24219	1.1
549.25067	16.3
550.25623	5.4
556.47028	1.0
559.23242	1.2
561.21515	1.7
563.26520	6.4
565.27618	1.2
574.22559	1.2
576.23206	1.5
579.29645	1.8
581.27771	1.3
590.53296	1.1
591.26056	48.3
592.26215	2.0
605.27521	8.4
608.26556	1.4
609.27087	16.8
623.28656	100.0
624.28552	3.1
626.26587	1.1
641.29706	13.8
642.22961	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09913	0.4
55.05517	0.9
67.05503	1.2
69.07076	0.6
70.00667	1.7
79.05505	1.5
81.07066	1.6
83.08636	0.7
91.05487	1.3
93.07063	1.3
95.08636	0.5
98.78371	0.4
105.07053	1.1
106.62810	0.4
107.04964	0.5
107.08596	1.0
117.07064	0.5
119.08545	0.5
121.10181	0.5
127.07330	0.6
131.08626	0.6
131.17160	0.4
145.10149	0.7
147.11688	0.4
152.04437	0.4
169.10309	0.5
204.06598	0.4
207.96535	0.5
222.11639	0.5
237.13927	0.6
238.14600	0.6
262.14612	0.6
275.20020	0.6
280.15762	0.5
377.17676	1.1
379.19391	1.1
390.18552	0.4
391.19678	0.9
392.20340	1.0
393.20886	1.9
395.22595	0.7
405.16711	2.2
405.21729	0.6
406.18130	1.6
407.18475	1.2
407.22852	4.3
408.23499	0.8
418.17285	0.6
419.18558	4.2
420.19492	1.9
420.24390	0.6
421.20139	4.7
422.21375	0.8
423.21872	1.2
433.20447	5.0
434.21417	3.7
435.22153	6.2
436.22559	1.7
447.22565	2.0
448.18384	0.6
449.19598	7.8
462.20273	1.0
463.21329	3.4
464.22192	1.9
467.24945	0.9
475.21207	0.5
477.22876	0.7
481.22620	1.8
491.24551	0.5
493.22577	2.5
494.23099	3.6
495.23859	3.9
507.23782	1.4
521.25800	9.7
522.25360	0.6
535.24158	0.6
539.23425	1.6
549.25079	0.6
551.26459	0.9
553.27057	0.6
563.25787	1.2
581.27747	19.3
582.28088	1.0
595.25549	0.5
609.26581	0.8
613.29352	0.7
623.25842	1.5
623.42865	1.0
641.29749	100.0
642.29639	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2967
Annotation	Crooksiine
Peak:m/z	Relative Intensity
52.48066	0.7
58.26538	0.7
60.52377	0.7
60.57156	0.7
60.90933	0.7
66.90140	0.7
67.05517	1.1
69.89845	3.7
77.83333	0.7
78.97358	0.7
79.05541	0.8
92.07149	0.6
95.04967	0.9
97.25909	0.7
98.20823	0.9
105.07112	1.4
128.94322	0.8
131.08607	0.8
135.75954	0.7
197.10922	0.7
209.10826	0.8
221.10963	1.1
223.12320	1.8
225.13852	0.8
235.12416	2.0
236.13065	0.9
237.13968	1.9
238.14815	2.7
239.15451	1.4
249.14017	1.4
251.15596	2.3
261.14069	1.2
313.15915	1.0
319.02817	0.7
328.18317	1.9
329.19147	0.9
338.16562	1.0
352.18402	1.3
353.19165	1.2
354.16135	0.8
356.17792	1.2
358.19278	1.0
386.18549	1.5
386.22891	1.2
387.19650	1.4
388.20068	0.9
391.19299	1.0
394.19308	0.8
396.17316	2.4
404.16373	1.0
405.17047	1.2
405.21637	0.9
406.22449	1.2
412.20404	3.6
414.18115	1.8
415.19193	1.2
418.17871	1.5
419.18933	3.1
430.21362	17.3
430.26907	1.1
432.19852	1.3
433.20581	3.9
434.21332	2.7
446.17093	1.0
447.18069	2.0
448.22827	1.8
449.19437	1.0
461.19669	9.9
462.20486	5.2
463.21613	2.7
465.19485	1.2
467.24557	1.4
475.21539	2.2
476.22333	3.6
477.23291	3.4
479.20911	1.1
491.20816	1.7
493.22122	1.1
494.22794	4.8
495.24182	2.5
517.93073	0.8
521.22308	2.3
532.20905	1.0
535.27319	1.0
537.25208	2.8
547.23633	1.3
548.23798	2.9
549.25116	2.1
550.22180	1.3
551.26880	1.1
553.28333	1.5
554.94165	0.9
563.27106	4.6
565.24561	7.8
579.26270	1.7
580.23657	3.3
581.28076	8.9
591.22388	4.4
595.26117	1.3
597.27277	2.7
608.26379	1.2
609.23376	9.0
623.25012	12.0
624.26697	0.9
641.29706	100.0
642.30255	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2969
Annotation	Crooksiine
Peak:m/z	Relative Intensity
55.05502	0.4
57.43506	0.3
67.05504	1.1
69.07093	0.3
70.01469	0.7
70.01855	0.6
70.06580	0.3
79.05488	0.5
81.07066	1.2
91.05491	1.0
93.07053	0.6
95.01353	0.8
95.08622	0.7
96.36262	0.3
105.07047	0.7
107.08596	0.5
115.71916	0.2
117.07069	0.3
119.08569	0.4
121.10205	0.6
123.11755	0.3
131.08539	0.3
132.99202	0.3
135.11684	0.4
147.11635	0.3
210.11624	0.4
223.12418	0.3
235.08696	0.4
237.10301	0.3
239.11880	0.7
241.13687	0.3
251.11813	0.4
263.11890	0.4
271.13501	0.8
275.20297	0.3
289.14264	0.3
300.14804	0.3
316.14685	0.5
328.14661	0.5
330.16010	0.4
335.25916	0.4
341.95978	0.3
342.16095	0.7
356.17422	0.3
358.04279	0.3
358.19153	0.3
368.13962	0.5
376.16855	0.6
377.17783	0.5
390.18500	0.6
391.19360	1.2
392.20209	0.4
403.15244	0.7
403.19922	0.4
404.16312	1.0
405.16641	0.6
405.20859	1.0
406.21594	1.1
407.18259	0.3
407.22900	0.5
409.20740	0.3
418.17456	1.5
419.18326	2.3
420.18683	0.5
420.23538	0.7
421.24478	0.5
430.22043	0.5
432.19751	1.5
433.20425	4.0
434.21072	2.4
435.21851	1.4
437.19803	0.6
445.20264	0.8
446.16580	0.6
446.21863	0.6
447.17706	1.4
447.22061	2.2
448.23273	1.6
449.24399	1.5
451.21121	0.6
460.18600	0.6
461.19501	10.4
462.20496	3.5
463.21255	1.5
464.20541	0.3
465.18811	1.7
467.24728	1.8
475.21146	1.8
476.22040	3.4
477.22964	3.7
478.19757	0.5
479.20972	1.0
480.21802	1.0
489.22983	1.0
493.21967	2.0
494.22803	4.8
495.23923	1.7
505.22354	0.7
507.23721	1.4
508.24945	0.5
511.22900	0.4
520.24408	0.9
521.22296	2.0
523.23419	0.4
533.22253	0.6
535.27643	1.4
539.22931	0.3
547.27307	0.5
548.24072	3.3
549.24976	1.8
553.28522	1.3
554.25195	0.4
563.26758	6.3
564.26617	1.1
565.25256	0.6
566.24860	0.4
576.23706	1.0
581.27686	9.4
582.27991	0.7
593.24091	0.5
594.26599	0.4
607.28833	0.4
608.26251	1.4
609.26953	0.6
612.26050	0.6
623.28961	4.0
623.38910	0.5
624.27484	0.4
641.29675	100.0
642.29999	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	641.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.2
55.05500	0.8
55.47219	0.4
62.66163	0.5
65.03946	0.8
67.05499	1.8
69.03421	1.6
69.07061	1.3
69.39608	1.6
69.40041	2.1
70.06599	4.1
72.08160	1.8
79.05488	0.9
79.43601	0.5
81.03443	0.6
81.07056	1.7
83.04984	0.8
84.08147	4.7
85.02427	0.5
85.02895	1.8
85.06538	1.0
86.09709	1.5
91.05484	1.9
93.05782	0.6
93.07034	1.5
94.06565	1.8
95.04953	1.1
95.08607	1.9
97.02910	1.0
97.06535	1.4
98.06046	0.8
103.05462	1.4
105.07020	1.9
106.06550	0.5
107.08605	1.4
108.08128	13.2
109.10156	0.6
110.06062	0.5
111.08110	1.2
117.07000	0.5
118.06543	2.0
119.08606	0.6
120.08084	1.3
121.02871	0.5
121.06509	0.5
121.10127	0.6
122.06030	2.2
122.09597	0.6
125.09544	0.5
127.03928	0.6
129.10228	3.0
131.04913	3.0
131.07338	0.6
132.08096	1.7
133.10130	0.5
135.08136	0.7
135.11684	0.9
136.07585	32.5
136.11227	1.2
140.07013	0.9
144.08076	0.8
146.06004	2.1
146.09673	2.2
147.04413	0.5
147.08015	0.7
147.11575	0.6
148.07567	1.0
148.11176	0.6
150.05496	0.8
150.09212	0.6
152.07117	0.9
153.01859	0.7
157.08737	1.0
157.10074	0.4
158.09637	1.2
159.10538	0.9
160.07556	1.9
160.11191	0.6
161.08290	0.5
162.05605	0.5
162.09154	0.6
163.07504	0.7
163.08699	2.0
164.07076	9.1
164.10733	2.3
168.06538	0.8
172.11226	1.0
174.09134	2.5
174.12784	1.8
176.10733	1.1
177.06627	1.3
177.10266	2.3
178.08641	6.8
178.12231	1.1
184.07587	0.6
186.09152	0.7
188.07089	1.1
188.10736	0.8
191.08127	0.9
192.10368	0.9
200.10767	0.6
201.10345	0.9
202.08682	3.4
202.10588	0.6
202.12274	5.4
205.09727	4.0
206.08086	0.8
206.11737	4.1
218.11917	0.7
219.11259	2.2
220.09705	10.4
220.13272	1.8
229.09700	1.8
230.08229	0.9
230.11786	11.1
237.12439	0.7
238.10760	8.4
239.15654	0.5
243.11266	0.9
247.10794	2.0
248.12839	45.2
249.13153	0.7
253.13364	2.2
253.17860	0.7
265.11850	100.0
266.13937	34.0
266.16333	0.5
266.16928	0.8
271.10913	0.6
271.19055	1.1
289.11859	10.5
302.04428	0.6
313.11807	1.0
317.06580	6.3
317.11310	5.3
321.24197	0.6
341.11087	0.5
358.13962	2.0
359.12341	3.3
359.16068	1.3
376.15271	2.3
410.47433	0.5
479.06100	0.9
542.26172	0.9
597.26160	0.8
605.26056	4.8
606.24420	1.1
623.27155	8.8
641.23175	2.9
641.34503	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	1.1
69.83909	3.1
79.05510	0.9
91.05474	1.1
110.57140	0.7
119.08566	0.9
136.43600	0.6
209.10736	2.4
210.11404	1.2
211.12367	1.2
213.10164	0.9
221.10796	2.8
222.11620	1.5
223.08781	1.0
223.12292	4.5
224.13087	1.2
225.10220	1.0
225.13921	1.2
234.11702	1.0
235.08780	0.9
235.12349	2.2
236.13040	2.2
237.13881	5.6
238.14597	5.5
239.15456	2.7
247.12399	0.9
249.10193	1.7
249.13959	1.9
250.10957	0.8
250.14520	1.0
251.15421	3.3
252.16402	0.7
261.13763	2.1
263.11749	1.7
264.12576	1.4
265.13364	1.1
298.13211	0.8
301.15979	1.2
312.14865	1.2
313.15668	1.8
314.16675	1.4
315.17123	0.9
316.18008	1.6
324.14941	1.5
325.16281	0.8
326.13202	1.0
326.16705	1.8
327.17517	1.3
328.14545	0.9
328.18042	1.9
330.19528	1.0
336.15109	0.9
338.16550	1.6
340.18069	1.8
342.16092	1.5
342.19797	1.0
349.50064	0.9
352.17981	2.7
353.18893	2.9
356.17615	1.7
358.15485	1.2
358.19452	1.1
368.13373	0.9
368.17581	1.1
370.19092	2.6
371.19949	2.1
372.17139	1.6
384.16998	1.1
386.14404	1.0
386.18542	2.9
386.22464	3.0
387.19034	1.2
388.20374	1.8
389.21216	1.7
390.18149	0.9
394.19305	1.1
396.17078	8.3
397.17722	1.7
400.20493	1.1
404.16626	1.4
404.23245	2.4
405.21185	0.9
407.18607	1.2
409.20007	0.8
410.19046	0.8
412.20401	7.6
413.20764	0.8
414.18408	4.1
415.19269	1.9
419.18546	2.7
420.19702	1.1
430.15512	1.8
430.21350	35.7
432.19760	1.2
433.20700	4.3
434.20874	3.3
435.22189	1.8
443.19034	0.8
447.17801	2.7
447.22574	1.5
448.22839	1.2
459.21790	1.0
460.19150	1.2
461.19675	11.3
462.20355	3.7
463.21405	3.3
465.18887	1.2
467.24402	1.3
473.19714	1.0
475.21222	2.9
476.22421	3.9
477.23358	5.0
478.23950	1.3
479.20767	2.2
480.21542	1.7
488.21219	0.8
489.19110	2.3
490.19824	1.4
491.20993	2.6
492.24585	1.2
493.22052	3.4
494.22577	5.1
495.23654	2.1
503.20557	1.6
504.21112	1.7
505.22324	1.8
506.22919	0.9
507.21347	0.7
519.23688	2.5
521.21765	5.6
522.22504	1.2
532.19629	1.2
535.24231	0.8
536.23639	1.1
537.25482	5.9
538.25531	1.2
539.23322	0.8
547.23273	3.0
548.24164	4.6
549.22668	1.7
550.21912	2.7
551.26129	1.8
553.28119	1.7
563.25464	3.5
565.24475	15.1
566.24768	1.9
573.20709	0.9
579.25555	2.4
580.22937	5.7
581.28204	9.3
591.22351	8.3
595.25549	2.7
597.26990	8.2
605.23450	1.2
608.25977	1.2
609.23468	23.4
610.23700	1.0
623.24969	29.4
624.25635	1.3
641.29608	100.0
642.29303	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.261
Annotation	Swietephragmin G
Peak:m/z	Relative Intensity
59.26618	1.1
64.24412	1.3
68.02342	1.3
69.72927	2.4
69.73353	4.3
100.92857	1.2
117.12672	1.4
117.37257	1.1
144.08124	1.6
148.07622	2.0
151.44884	1.3
183.09210	1.5
195.09200	2.1
207.09210	1.9
208.10059	1.4
209.10745	3.7
210.11511	3.7
211.12311	2.3
211.20648	1.3
221.10789	4.6
222.11577	2.6
223.12270	11.5
224.12976	2.0
225.13931	3.9
235.12300	4.4
236.13100	4.5
237.13835	11.6
238.14679	11.5
239.15442	4.7
246.11649	1.4
247.12440	3.0
248.13242	1.8
249.10233	2.1
249.13910	3.9
250.14671	1.9
251.15453	8.6
252.16457	3.0
253.09656	2.3
259.12344	1.7
261.13901	5.3
263.11844	2.1
263.29492	1.6
264.12585	3.7
265.13464	2.1
277.13431	2.4
281.09744	1.4
281.12848	1.7
283.14670	2.2
299.15231	1.4
300.15030	1.9
301.16248	2.0
312.14978	2.5
313.15704	1.7
314.16415	1.9
315.17355	1.4
324.14844	1.5
326.16797	2.6
327.17368	2.2
328.18219	2.5
329.18933	2.8
330.19653	1.5
338.16620	4.1
340.17923	2.7
341.15335	2.4
342.19498	3.0
344.21338	1.7
352.18152	4.7
353.19080	3.2
354.16104	2.1
355.16779	1.6
356.17682	2.8
357.18423	1.8
358.19153	3.0
370.19241	1.7
371.20212	1.9
372.17166	3.7
373.17493	1.5
384.17047	1.7
386.18539	4.7
386.22696	2.2
387.19409	3.0
388.20255	2.7
389.20923	1.8
390.19681	1.6
396.17194	10.9
399.15485	1.6
400.16113	2.0
400.20657	1.7
401.17242	2.0
402.17374	2.1
404.23303	4.2
405.21329	1.8
406.18433	1.8
410.18900	2.1
412.20435	9.6
414.18188	5.4
415.19052	3.6
430.21326	42.4
433.20914	2.1
435.22159	2.3
447.18039	2.5
448.19189	3.6
449.19403	2.1
453.22412	1.8
459.21848	1.3
461.20367	2.9
462.21274	2.3
463.21320	4.6
471.18234	1.7
475.17038	2.2
476.17474	1.6
476.23276	1.8
477.22867	5.1
478.23709	2.3
480.21826	1.8
481.22375	2.2
489.18878	6.2
490.19708	1.8
491.20340	7.2
492.25647	1.4
495.24161	1.6
501.22833	1.7
503.20929	5.1
504.21909	2.7
505.22189	4.2
506.23239	3.1
513.20422	1.7
517.18634	2.0
519.24054	6.0
521.21417	7.0
522.22455	2.6
529.22620	1.8
531.20728	2.8
536.24170	1.7
537.25299	15.2
545.21948	1.6
547.23120	4.5
548.21527	3.1
549.20990	3.8
550.22052	9.7
551.26465	5.7
553.27319	3.1
563.23163	2.7
565.24457	43.7
566.24603	3.6
573.21539	2.1
577.24139	2.5
579.25940	8.6
580.23230	13.1
581.24109	7.4
591.22546	9.2
595.25610	8.2
597.27124	62.0
598.27124	3.0
605.24164	1.8
609.23389	10.3
623.25006	78.1
624.25287	3.8
641.26080	100.0
642.26709	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	4.2
67.05501	11.7
69.07069	3.5
69.73199	11.6
79.05482	6.8
81.07054	11.8
83.08623	2.6
84.08157	2.9
91.05496	6.9
93.07051	9.9
95.08627	7.7
105.07017	6.0
107.08571	6.0
112.76316	2.4
119.08607	5.8
142.87555	2.7
145.10103	6.0
186.31024	2.6
187.03931	5.3
208.09889	3.2
209.10796	4.7
211.08478	2.9
221.10741	5.1
223.12335	11.8
224.12999	3.2
235.12317	4.2
236.13138	5.2
237.10155	3.2
237.13896	10.7
238.14679	15.3
239.15515	4.9
249.10187	4.0
249.13734	3.5
251.15524	8.0
252.16299	5.6
261.13885	6.5
275.20105	11.6
312.15158	4.2
324.14914	3.7
338.16626	4.7
352.18170	5.1
370.15240	3.2
381.14761	3.2
386.18405	6.0
386.22568	3.7
396.17154	8.4
412.20248	7.3
414.18057	5.5
430.21246	35.0
446.18396	3.0
460.07001	2.6
461.20441	3.1
463.21548	4.9
477.23254	3.7
478.23517	4.2
489.19138	5.6
490.19629	5.3
491.20297	6.8
492.25116	6.0
503.21057	7.6
519.24072	6.3
521.22394	3.1
531.20654	4.2
537.24847	21.9
547.23212	6.3
550.22192	4.0
551.26343	6.6
553.28308	4.4
563.22754	4.6
565.24573	65.5
566.24908	4.7
579.25879	8.8
580.23358	12.8
581.23523	7.4
591.22241	10.4
595.25415	6.7
597.27094	55.6
609.23132	7.8
623.25067	100.0
623.41315	5.2
641.25903	32.1
641.43396	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	641.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05482	1.1
69.98043	3.3
69.98463	2.5
79.05476	1.1
91.72412	1.0
95.18420	1.1
95.54197	1.1
98.20861	1.6
131.08623	1.4
151.13533	1.3
245.10924	1.7
259.12537	1.4
261.14017	2.5
273.13828	2.5
274.13202	1.1
275.15475	1.2
288.16129	2.8
350.16629	1.7
363.16586	2.1
364.17633	1.5
374.15909	1.5
375.16339	2.2
377.17715	4.3
378.19370	2.6
379.19305	1.4
387.16370	1.4
389.17871	4.6
390.18970	3.4
391.14792	1.4
391.19287	5.6
392.20331	1.9
393.21088	2.9
401.13553	1.2
402.18961	1.2
403.19397	5.0
404.20398	1.6
405.16678	5.4
405.21643	2.0
406.17786	2.4
407.18719	4.1
409.20197	1.7
417.17023	3.7
419.18243	3.7
419.22672	3.9
420.19498	6.5
421.20023	7.0
422.20667	2.1
423.22125	1.5
431.18726	2.9
433.20438	8.5
434.20984	3.9
435.21927	37.8
436.22797	12.5
437.24005	2.0
445.20337	2.2
447.22296	1.9
448.23114	2.4
449.23795	24.7
450.24225	5.0
452.22485	1.7
459.21487	1.5
460.22711	2.4
461.24130	2.9
462.20773	3.9
463.20941	9.4
476.22156	3.6
477.23126	14.5
478.23505	3.2
479.19955	10.4
480.21707	1.8
493.22495	4.1
494.23108	14.6
495.23953	56.6
496.24713	1.3
497.22000	3.1
505.22690	5.6
509.25653	19.5
510.26279	3.1
519.23907	3.2
521.22382	2.1
523.23785	3.0
537.25140	20.9
549.21100	1.7
553.24445	3.6
554.25281	37.0
554.33478	2.3
555.25317	1.5
565.24713	6.5
569.27533	1.6
581.23969	100.0
582.24493	5.4
597.27136	33.0
609.23511	48.2
613.26837	3.4
641.26147	54.1
642.26447	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97797	1.1
55.47540	1.0
69.89848	5.6
79.05522	1.7
81.07049	1.8
91.05488	2.0
93.07059	1.4
98.09925	1.1
106.56783	1.0
106.69592	1.2
107.35009	1.1
139.23125	1.1
177.46384	1.1
210.11490	1.6
223.12352	1.1
225.13963	1.5
236.25102	1.1
237.13795	2.4
247.12512	1.2
249.14104	1.4
274.71185	1.3
292.84363	1.2
349.14835	1.2
365.17706	1.7
378.18915	2.0
391.19037	1.5
393.20746	1.3
403.19434	2.6
404.20135	1.9
405.21243	1.8
406.17786	1.7
407.22882	1.4
417.20862	2.1
418.21729	2.3
419.14819	1.7
419.22833	1.9
420.15414	1.9
421.20322	2.6
433.16446	2.5
433.23969	4.2
434.17465	4.2
435.22211	2.4
437.23700	1.4
445.20108	1.4
447.17944	3.5
448.18967	4.8
449.18909	5.2
461.19928	4.3
462.20264	3.0
463.21469	23.0
464.21991	3.2
467.20520	1.2
475.25626	1.4
476.22275	3.9
477.19366	10.6
479.24713	2.3
486.20197	1.3
488.22015	1.5
489.19226	1.3
491.20099	3.1
491.24890	1.8
492.18549	1.5
492.25351	10.3
493.18994	4.0
501.23151	5.2
502.23688	1.4
503.24826	1.3
508.24219	2.0
519.23981	4.2
521.22687	6.6
522.22357	9.2
523.23151	1.4
535.20227	1.3
536.24146	18.9
537.24957	6.4
540.23383	1.4
547.23425	3.3
550.21185	1.7
551.26666	40.1
551.35193	2.2
552.26691	3.8
563.22937	7.0
564.23608	6.6
565.24683	2.8
566.21167	2.2
568.22504	1.7
569.27228	2.0
579.25879	3.6
580.23029	2.0
594.20294	1.9
595.25568	71.2
596.25372	2.6
597.27808	1.3
598.24768	1.3
609.25012	4.3
623.24969	13.4
641.26086	100.0
642.26556	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	641.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59362	0.9
69.90941	4.5
90.49680	1.0
92.21320	1.0
98.20863	1.3
117.47652	0.9
118.76388	1.1
119.53918	1.0
124.75385	1.0
153.55945	0.9
194.71742	1.1
197.10732	1.1
209.10867	1.6
221.10538	1.3
222.11371	1.5
223.12291	3.8
224.13028	2.0
225.13962	1.5
235.12373	2.7
236.13110	2.8
237.13901	7.3
238.14627	3.6
239.15343	1.6
249.13930	1.8
251.15422	5.1
253.16994	2.7
261.13879	7.4
262.14645	2.4
279.14886	2.2
286.33069	1.0
319.19565	1.1
352.17242	1.2
365.17502	1.4
366.19427	2.1
367.19165	3.0
368.20706	1.2
376.17651	1.7
377.17807	2.4
378.19437	1.1
379.15030	1.4
379.19141	3.0
381.21130	1.2
393.20868	2.3
394.17847	1.9
395.18555	2.4
396.59485	1.0
405.17038	2.0
407.18649	2.2
410.21255	1.7
411.22141	1.6
420.19662	1.2
421.20139	1.8
422.21246	2.0
423.18231	1.6
427.21414	1.7
435.17981	2.7
437.19620	3.5
438.20453	1.4
439.21106	1.2
440.23013	1.5
442.23340	1.2
448.19388	2.0
449.19733	3.3
450.20349	4.3
451.20731	1.0
455.25006	1.7
465.18451	2.6
465.23306	2.8
466.20569	1.7
468.21362	1.8
469.21777	1.3
477.23044	1.1
479.20074	2.0
480.21466	3.0
483.23724	4.4
493.22214	3.8
496.21109	2.1
498.23431	1.3
500.24130	5.6
508.21234	1.8
511.23608	6.9
515.26978	6.5
515.33124	1.3
521.21796	2.8
528.23755	2.5
530.03241	1.2
539.23114	4.8
543.25787	3.3
549.21332	2.2
553.24268	3.6
556.23505	1.7
567.22467	5.9
571.25507	21.6
581.23969	100.0
582.23816	3.4
599.25031	95.8
600.24915	3.3
623.25293	1.9
641.27234	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	640.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.1
55.01868	4.7
55.05513	40.9
57.03443	7.9
57.07069	6.9
67.05514	24.6
69.03429	17.0
69.07074	33.9
69.13370	7.2
69.13770	22.1
70.06600	12.9
71.04991	8.2
72.08167	6.2
73.02927	5.0
79.05505	16.4
81.03432	11.8
81.07066	77.3
83.04987	4.5
83.08632	9.1
84.08148	4.7
85.02907	26.0
85.06547	7.5
86.09714	6.9
87.00830	11.1
91.05489	12.4
93.07051	33.4
94.25914	2.8
95.04986	12.2
95.08614	63.5
97.02904	9.3
97.06545	6.5
97.10178	74.5
98.20725	5.7
99.04474	3.5
99.08091	3.9
105.01861	4.1
105.07043	27.8
107.08601	34.4
108.28545	2.4
109.02230	2.3
109.02893	12.4
109.06527	8.7
109.10151	42.8
111.08097	7.7
111.11713	5.2
115.07600	3.2
117.07030	3.9
119.08608	19.8
120.08071	5.2
121.06525	3.9
121.10159	35.4
123.08097	6.8
123.11728	47.0
125.09629	21.1
127.03925	10.0
129.10217	3.4
131.08565	5.7
133.10141	13.8
135.08115	3.5
135.11703	22.0
137.09654	5.7
137.13268	10.4
139.07559	3.0
139.11185	11.3
143.10693	25.5
145.04947	6.6
145.10135	13.2
147.11707	21.8
149.09633	5.4
149.13278	15.2
151.07585	4.4
151.11191	5.3
151.14816	8.7
153.12769	6.1
157.10178	4.9
157.12158	5.9
159.11714	10.9
161.09711	3.1
161.13310	12.9
163.03944	3.2
163.11223	8.5
163.14771	4.3
165.09064	3.5
165.12715	7.4
167.14302	3.2
169.12308	3.1
171.10181	7.9
171.13788	4.2
173.13316	9.1
175.03955	8.2
175.14824	6.2
177.16399	3.4
181.12195	5.2
183.13756	3.1
187.11171	2.7
187.13306	6.6
187.14865	5.9
189.11203	6.7
189.12698	3.7
191.03413	11.3
195.13794	6.6
201.16373	5.4
203.12706	5.1
205.15977	3.4
209.15384	4.1
219.87326	2.9
223.17039	4.0
230.11896	4.6
231.10103	16.7
237.18506	3.2
251.16438	2.7
267.21286	4.1
275.23737	12.0
277.21710	4.0
285.22269	7.1
291.23160	7.9
293.24725	7.4
303.23175	69.0
303.26428	5.3
309.24316	22.3
321.24271	100.0
322.24695	4.3
339.25342	45.2
357.26297	9.2
447.27322	4.8
476.62888	3.1
533.26880	4.9
551.28522	7.6
569.41315	3.0
641.28387	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	640.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.2
55.05516	36.9
57.03424	3.5
67.05498	10.9
69.03423	12.2
69.07074	18.4
69.13294	28.7
69.13699	7.7
70.06603	16.4
71.04980	3.4
72.08167	6.0
79.05489	9.9
81.03419	14.1
81.07059	33.9
83.04992	6.2
83.08621	5.0
84.08158	5.9
85.02908	20.8
85.24319	3.1
86.09695	11.2
87.00835	9.1
91.05498	7.5
93.07055	24.7
95.04971	9.6
95.08616	40.8
97.02863	9.8
97.06522	5.1
97.10179	100.0
99.04467	5.4
105.01864	7.7
105.07022	12.3
107.08601	20.5
109.02888	11.3
109.06510	5.1
109.10159	22.8
119.08584	18.2
120.08135	5.2
121.06508	4.0
121.10189	16.5
123.08056	4.4
123.11747	20.1
125.09631	18.7
127.03993	6.8
131.08586	4.8
133.10136	10.7
135.08032	3.7
135.11702	12.9
137.13229	4.9
139.11203	4.8
143.10686	38.4
145.10126	7.7
147.11711	11.9
149.13280	14.3
151.14839	5.6
153.12811	3.7
157.12285	4.6
159.11778	5.7
161.13336	6.6
165.12787	4.9
171.10162	8.6
173.09792	3.2
177.12834	5.9
177.40063	3.5
189.11224	11.5
202.21268	3.3
203.17941	3.2
275.23587	5.1
285.22083	5.5
291.23282	6.7
303.23236	27.2
309.24329	12.1
321.24274	77.1
330.20239	3.6
339.25342	55.5
367.70651	4.0
546.15857	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	639.4328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.1
57.07079	0.8
58.06317	0.4
58.06604	6.3
65.92806	0.3
66.02047	0.3
69.07072	0.6
69.91538	1.5
70.06594	0.7
72.08160	12.9
73.06563	1.9
83.04991	1.5
84.08137	0.7
85.08926	0.4
86.09712	20.5
98.06059	0.4
98.09691	0.4
98.21404	0.5
100.11262	100.0
101.06034	2.2
101.11584	0.4
105.06985	0.3
113.59332	0.3
118.16803	0.3
124.21642	0.3
128.10750	0.3
140.14354	3.8
143.08115	0.6
146.11758	2.4
154.12308	1.3
154.15923	1.1
172.13350	2.8
182.11766	0.6
186.15004	0.3
200.12831	0.5
200.16481	1.3
210.14966	0.4
214.14377	1.2
228.15967	6.8
245.18628	0.4
282.43829	0.3
285.21722	6.2
299.23309	7.4
313.21335	0.8
327.22772	13.7
367.26077	0.4
375.55801	0.4
390.24695	0.3
395.25601	1.2
412.31967	0.7
427.27930	0.3
440.31293	2.6
458.32260	4.5
484.33884	0.9
512.33057	0.5
526.35144	0.8
540.36719	0.4
611.43848	32.8
612.43909	0.8
621.25873	0.4
639.27466	0.6
639.31201	0.4
639.43256	9.0
640.44025	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63630	0.8
67.05505	0.9
71.48775	1.1
71.49159	0.8
79.05515	0.7
81.07039	1.3
97.32907	0.7
121.01971	0.6
123.55232	0.6
137.19365	0.7
141.78650	0.7
145.27278	0.6
306.99222	0.7
315.54608	0.7
326.16464	0.7
377.17523	0.7
389.17731	1.4
390.18506	1.9
391.19278	2.6
392.19858	0.8
393.20670	1.5
394.21814	1.2
403.19067	1.7
404.20117	2.5
405.20825	8.8
406.21503	1.9
407.22388	2.0
417.21085	0.9
418.21646	1.7
419.22598	5.3
420.22995	5.2
421.24103	3.4
423.21823	8.9
431.22845	1.0
433.24246	3.6
434.24866	1.3
435.17789	1.8
437.23373	5.4
438.23740	1.2
445.19653	0.9
447.21332	5.2
449.19376	5.9
450.20496	2.5
451.21188	4.3
462.20355	1.3
463.21448	6.2
464.22003	2.7
465.22757	5.7
475.20966	5.8
476.21936	0.9
477.23068	3.9
478.23209	0.8
479.24445	26.1
480.24576	1.2
487.21390	2.0
491.24161	2.5
492.25107	1.5
493.26187	5.4
505.25827	1.5
507.27628	1.5
519.23682	7.4
520.28552	0.9
521.29193	0.9
533.25909	1.4
537.25238	1.5
547.27301	3.4
551.26495	13.6
561.24762	2.2
564.26910	2.7
565.28723	3.4
566.28851	11.0
579.30072	8.5
580.28693	1.2
589.02533	0.9
593.27094	2.2
607.25494	2.1
621.27039	8.2
639.31403	100.0
640.31573	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2817
Annotation	Moluccensin G
Peak:m/z	Relative Intensity
97.50443	3.3
98.36536	2.5
106.60735	2.3
204.06580	2.8
209.10721	3.5
223.12332	3.2
253.13393	4.6
265.13242	2.3
353.11517	4.0
401.17441	2.5
417.16641	3.2
431.18539	5.2
444.19565	5.1
459.21808	24.1
460.22656	5.6
461.23438	3.8
519.23523	3.7
547.27423	12.8
551.26648	8.7
561.24640	6.1
563.26221	4.5
579.25739	13.2
589.24390	4.1
591.25836	4.1
594.27112	3.0
596.26355	4.9
597.27405	2.6
606.28375	98.8
607.25488	35.0
611.28760	27.4
621.26947	9.6
622.27698	4.8
639.27991	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	639.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.01866	0.8
55.05519	2.3
57.03428	0.5
65.03937	0.9
67.05514	5.5
69.03420	2.6
69.07072	0.9
79.05502	5.5
79.51187	0.3
81.03425	4.0
81.07069	4.6
83.04977	0.8
83.08584	0.6
85.02905	0.8
91.05486	6.4
93.07047	5.8
95.04982	0.9
95.08612	3.3
97.02914	2.2
97.10159	0.5
99.04408	0.5
102.04703	0.4
103.05453	0.5
105.07040	3.9
107.04991	0.8
107.08643	2.3
109.02877	1.0
109.06488	0.5
109.10147	1.3
111.04437	0.4
115.05457	4.5
117.07030	3.5
118.04174	0.7
119.04913	0.9
119.08597	2.1
121.06488	0.7
121.10172	2.2
127.03925	1.2
128.06265	0.6
129.06993	0.8
131.04936	2.4
131.08569	2.4
133.06500	0.8
133.10144	1.9
135.08041	0.5
135.11711	1.0
143.04929	0.6
143.08569	1.3
145.06483	1.5
145.10110	1.4
147.04405	3.6
147.08090	0.5
147.11726	0.7
149.06009	0.6
149.13257	0.5
155.08578	0.8
156.48602	0.4
157.10146	0.8
158.03639	0.9
159.08029	0.6
159.11736	0.8
161.05978	2.7
161.09685	0.5
162.03159	1.0
163.03926	1.3
163.11255	0.4
164.04657	0.7
165.05486	1.0
169.10149	0.7
171.05617	0.9
171.11661	0.5
173.02419	0.4
173.05975	3.7
173.13193	0.4
174.03160	6.2
176.04733	0.5
177.05487	12.9
186.03156	1.3
189.05437	1.2
191.03398	0.6
191.07054	1.7
199.03920	0.9
201.05498	4.7
202.02628	38.9
203.03148	0.5
203.07060	1.0
210.06821	0.5
211.07478	0.5
212.04732	0.9
213.05388	0.6
214.06241	2.6
215.07004	0.7
215.13989	0.4
217.04977	100.0
218.05324	1.2
219.06508	1.1
223.07480	0.7
227.07092	2.4
229.04936	0.6
231.10231	0.8
237.05505	0.5
238.06175	0.8
239.07214	0.9
240.07837	1.4
241.08511	0.7
243.06528	0.4
243.10220	0.6
250.06258	0.9
251.07004	0.4
253.08588	2.3
253.94722	0.4
254.09346	2.6
255.10123	0.9
259.05927	0.5
265.08618	2.4
269.08115	0.4
278.09384	0.5
279.10117	2.4
281.08185	0.9
281.11694	0.5
294.12552	2.6
299.09076	0.7
313.21649	0.8
325.06927	0.5
346.26199	0.4
408.19028	0.5
459.25305	0.5
477.26425	3.8
479.19751	0.5
489.19470	0.4
509.25549	0.5
533.22095	0.6
537.25671	0.4
552.23688	1.8
567.28137	0.4
569.27570	0.7
570.24469	1.3
579.27789	0.4
585.28430	1.0
597.27026	4.4
603.29150	1.6
611.28271	0.5
621.30829	8.1
622.30127	0.6
622.53467	0.4
639.22797	1.3
639.30865	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	639.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87353	0.9
55.05524	0.9
64.26961	0.8
64.54100	1.0
67.05479	1.2
69.07044	0.8
70.53136	0.8
70.82166	2.1
79.05477	1.6
94.06567	1.1
95.04966	0.8
106.06582	0.9
108.08098	0.9
120.08092	2.3
125.67977	0.8
126.56509	0.7
131.96848	0.8
134.06021	7.9
152.07091	1.0
158.09671	1.3
161.34674	0.9
172.03951	2.7
182.09625	0.9
185.10835	1.0
195.09100	0.9
204.06551	3.8
207.09157	2.5
208.09900	1.2
209.10710	3.5
210.11467	2.0
211.12303	2.2
212.13066	1.3
221.10773	2.3
223.08635	1.5
223.12250	5.4
224.13145	1.6
225.10204	1.8
225.13846	7.0
226.14563	1.9
234.11464	0.9
235.08617	1.6
235.12376	1.8
237.10194	2.7
237.13821	4.4
239.11880	0.9
239.15427	2.5
247.12398	1.2
249.10214	4.2
249.13962	2.3
250.10818	1.0
251.08272	1.7
251.11772	2.7
259.12097	1.0
261.10278	1.1
263.08167	1.1
265.09750	2.0
265.13354	1.4
267.11124	1.1
269.12830	0.9
275.15384	1.0
277.09616	2.6
278.10367	0.9
279.11258	1.0
280.14847	0.9
281.09238	1.2
297.12393	0.9
300.11301	1.2
300.14621	1.2
307.10791	1.0
314.12909	1.4
324.11295	1.1
324.14835	1.6
325.11658	1.3
326.12790	1.4
327.13562	1.0
328.14502	1.6
337.11887	5.2
338.12863	2.8
339.13495	2.8
340.14465	1.9
342.16202	1.1
351.13708	1.4
352.14325	1.9
353.15280	1.1
354.15887	1.2
356.13565	1.1
366.16168	1.5
368.17661	1.2
378.50150	0.9
382.15811	1.1
384.16965	1.0
387.15643	1.0
394.15546	1.3
401.17654	2.3
403.19443	1.4
414.14597	1.2
415.15375	2.2
416.16226	3.0
417.16885	3.8
428.15274	1.2
429.17099	3.2
430.17825	2.1
431.18195	6.1
432.19461	1.5
440.15991	1.3
443.18768	2.4
444.19431	2.5
445.20239	3.8
446.21237	5.3
447.21820	6.7
454.17734	1.8
459.17340	1.6
459.22635	1.4
460.22504	2.2
461.23389	1.2
472.18829	4.9
473.19122	2.5
474.20090	5.6
475.21228	5.2
476.21307	0.9
486.20395	1.0
487.21414	8.5
488.22302	1.0
489.29575	1.4
491.20657	1.5
500.17825	2.8
501.23511	4.0
503.23792	1.2
505.22171	1.3
506.22623	3.3
511.48700	1.1
515.20673	3.1
519.24097	5.1
529.22217	3.1
531.21008	1.3
532.20270	4.3
533.24854	1.6
533.32404	1.7
534.22418	2.8
545.24872	1.0
547.23486	22.1
547.32147	1.7
548.22986	1.2
561.24969	33.5
562.24872	2.3
563.25989	1.9
565.24316	1.8
575.22626	6.5
581.36224	7.5
589.24670	5.9
593.27747	1.0
596.22577	1.3
607.25537	100.0
608.25995	6.1
610.63208	1.0
611.28357	1.7
621.27130	47.9
622.27271	2.7
639.27472	8.7
639.39844	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	639.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
64.20266	0.7
69.83350	2.9
78.13748	0.5
81.07057	0.9
90.43837	0.6
91.05524	0.7
100.42117	0.7
105.07024	0.9
118.06519	0.8
132.08078	0.7
145.95485	0.7
150.45482	0.6
195.09267	0.8
201.82872	0.7
207.09171	0.8
209.10713	1.1
210.11507	0.9
211.12225	1.4
213.06606	0.8
213.10159	0.6
221.10805	2.8
222.11424	1.3
223.12161	3.2
224.13118	1.8
225.06697	1.1
225.13834	0.9
226.14667	0.7
235.12314	2.3
236.13081	1.6
237.13853	4.4
238.14748	2.1
239.08226	0.8
239.15472	2.2
240.16034	0.8
246.11581	0.7
247.12381	1.8
249.13907	2.6
251.11903	0.9
251.15508	2.7
253.16841	0.7
261.13885	2.4
262.14658	0.9
263.11844	0.9
264.12643	0.9
277.09686	0.7
277.13312	1.3
279.14951	2.3
287.14685	0.8
299.10208	1.6
312.15002	1.2
313.16278	0.8
324.15134	0.8
330.16116	0.9
349.15994	0.6
353.18600	0.9
354.15796	0.8
362.16464	0.9
364.18018	1.0
365.17780	1.1
377.17877	1.1
378.19040	1.8
379.19293	1.8
389.17987	0.9
391.19339	1.4
392.16388	0.9
393.16785	1.4
393.21234	1.5
405.16928	1.3
407.18582	3.5
408.19543	1.3
409.20364	1.7
410.20947	1.8
417.16949	1.3
418.18359	0.7
419.18738	1.0
420.19977	0.9
421.20697	3.3
422.21262	3.4
423.22299	3.2
434.17249	1.4
435.18234	2.9
435.22983	0.9
436.19113	1.3
437.19348	1.0
448.19278	0.9
449.19525	3.2
450.21011	1.9
451.21356	2.2
459.17929	1.1
463.22009	1.1
464.22354	0.8
465.18726	1.0
466.24411	0.7
467.20972	1.3
475.21637	1.0
476.22000	1.0
477.18994	1.8
478.19946	1.5
479.21094	2.3
481.26172	1.4
482.22937	1.0
489.19553	1.3
490.20181	0.9
491.20743	1.5
492.22424	1.0
493.22333	1.1
494.24008	2.1
495.24417	1.4
503.24985	0.9
504.21808	0.8
505.22629	1.1
507.22296	0.9
509.25708	16.3
510.26068	1.4
519.24200	1.8
520.21692	1.0
521.21606	1.2
522.23077	1.2
523.23303	0.9
526.26953	1.3
535.26990	2.2
536.24707	0.9
537.25043	11.1
547.23346	1.4
549.21368	0.8
550.22186	0.9
551.26941	5.1
553.24561	0.9
561.25195	5.0
562.25439	1.0
563.26251	1.8
565.24524	15.8
566.24738	1.0
567.29492	2.4
568.43945	0.9
569.27582	19.3
579.26019	4.8
596.26648	2.8
597.27087	100.0
598.26941	4.3
607.25586	8.1
611.28827	13.0
621.27228	8.9
621.37897	1.2
622.27789	3.1
639.27576	31.4
639.39996	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	639.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
68.11208	0.3
70.54440	0.4
70.54785	1.3
113.23827	0.4
123.89568	0.4
133.00616	0.4
209.10846	0.5
223.12282	0.5
224.54002	0.4
237.13795	0.5
287.14410	0.4
298.13489	0.4
310.13477	0.4
326.12827	0.5
328.18271	0.5
340.18390	0.4
363.16168	0.4
375.16275	0.7
376.17276	0.9
377.17538	2.1
378.18857	1.4
379.19220	0.7
386.19046	0.5
388.17950	0.4
389.18002	1.2
390.18286	1.5
391.19110	4.9
392.19885	4.1
393.20822	2.2
403.19482	1.5
404.20102	1.6
405.20853	8.8
406.21463	4.6
407.22354	12.0
408.22781	0.7
417.20999	1.4
418.21399	1.2
419.22369	4.7
420.23132	4.1
421.23987	15.0
422.24878	2.3
424.23010	0.6
431.22641	0.6
432.23807	0.5
433.24261	4.5
434.24576	2.2
435.17987	2.3
435.25870	0.5
436.18970	1.3
437.23721	1.2
445.20258	0.6
447.21445	1.3
447.26337	0.8
448.26614	0.4
449.18817	3.0
450.20734	1.2
451.20831	9.6
452.21823	2.3
460.22833	0.9
461.23431	1.4
463.21463	3.5
464.22260	1.4
465.22888	13.6
466.23553	1.6
473.19818	1.4
475.21130	2.0
475.25650	1.3
476.22134	0.5
478.23770	1.4
479.24576	1.5
486.20496	0.5
487.21494	1.9
488.22012	1.4
491.20966	1.3
492.24973	0.7
493.26212	2.4
495.27676	0.7
501.23068	1.2
502.23578	0.8
503.24509	11.2
504.25101	1.2
507.27667	9.6
508.28311	2.1
509.25409	1.2
517.26447	0.6
519.23798	1.8
521.25360	0.7
523.23352	2.8
533.25708	1.2
535.27094	13.8
536.27856	1.2
537.25092	10.1
538.25500	0.6
551.26587	5.6
552.27338	18.3
553.27771	1.1
561.25098	3.1
562.25769	0.5
563.25659	0.5
565.24500	1.1
579.26093	8.7
580.26575	2.9
593.27612	1.0
595.29114	5.9
608.26227	0.9
621.27148	16.9
622.26929	0.7
639.28156	100.0
640.28601	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	639.2815
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
61.91576	0.5
62.89725	0.6
64.09795	0.6
64.19254	0.6
70.73331	1.7
78.37051	0.5
102.45643	0.6
197.45369	0.6
207.09267	0.6
209.31805	0.6
210.79680	0.6
277.97141	0.7
339.02216	0.7
377.17694	1.4
389.18661	1.4
390.18646	1.4
391.19553	2.9
391.25034	0.6
392.19861	1.1
404.20605	0.8
405.20740	7.6
406.21664	2.9
417.21078	0.9
418.21884	0.8
419.22516	2.0
420.23056	3.8
421.24213	3.7
433.19760	2.9
434.25330	0.9
435.18179	1.2
436.18936	0.9
445.20306	0.9
446.20981	0.8
447.21976	1.2
449.19507	1.8
450.20728	1.9
451.21103	1.1
452.22186	3.2
460.22977	1.1
463.21539	1.2
464.21796	1.2
465.22888	32.0
475.21198	0.9
475.25479	1.2
477.26477	2.1
478.23770	1.0
479.24469	7.4
480.25250	3.8
486.21292	0.7
488.21848	2.2
491.21002	1.8
492.21790	2.3
493.25974	3.7
503.24506	22.5
504.25046	2.0
505.22159	1.2
519.23895	0.9
521.25671	15.3
537.25079	6.7
547.23560	2.3
552.27887	1.1
565.24512	45.4
566.24847	2.1
580.26788	18.0
607.25500	16.7
608.25671	1.0
621.27100	2.6
639.28174	100.0
640.28375	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	639.2815
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
59.93861	0.7
67.98815	0.8
83.57186	0.7
97.96846	0.8
102.90607	0.8
107.70425	0.9
195.09280	1.1
197.10776	1.0
209.10782	1.9
210.11650	1.5
211.12343	2.6
223.12315	2.4
224.13162	3.1
225.13858	1.6
237.13931	2.7
238.14871	1.5
239.15417	2.4
247.12314	1.1
261.14069	1.0
275.15500	0.9
313.16208	0.9
344.17844	1.0
391.19632	1.2
403.19659	1.2
404.19870	1.3
405.20709	4.0
417.20673	1.7
419.22443	3.7
421.20166	2.0
433.24057	1.9
434.24994	1.0
436.22986	1.1
445.20395	1.0
449.19888	3.1
454.94965	0.9
463.21378	3.0
465.23203	3.7
473.19025	1.2
477.22876	2.3
478.23828	2.4
479.24408	10.7
487.21451	2.2
490.20108	1.5
491.20251	4.5
493.26080	7.2
500.22174	5.0
501.19055	1.4
503.21176	1.2
505.22345	1.3
519.24109	11.2
523.23389	4.1
529.22046	1.5
530.23090	3.6
537.24994	16.8
545.25616	1.1
546.22870	1.9
547.23737	1.5
551.27008	5.1
552.27423	25.7
553.27911	1.4
561.24841	6.0
564.23529	1.3
565.24072	4.4
574.22266	1.6
579.26361	3.9
589.24640	6.2
607.25604	4.4
621.27124	31.3
639.28174	100.0
640.28235	4.2
666.17456	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35659	1.2
57.07076	2.7
69.37363	1.2
71.48531	1.5
79.05479	1.5
89.05951	1.2
110.80071	1.2
182.91461	1.1
227.87903	1.1
426.91214	1.3
445.20328	2.1
458.21005	1.9
459.21744	9.4
460.22672	2.0
461.14175	1.6
476.16357	2.6
477.17410	2.4
491.19046	5.5
505.20340	1.3
507.21979	1.6
531.23828	3.1
533.24683	2.6
551.21130	12.4
564.21771	1.4
579.24628	8.3
592.27197	1.5
607.26868	2.2
609.21710	1.6
621.27118	1.8
639.26385	100.0
640.26636	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	639.282
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
50.28884	0.7
69.17461	7.6
70.02775	0.8
81.07054	0.9
98.20710	1.4
144.08093	0.7
181.07634	0.9
195.09178	1.5
196.09889	1.2
197.10719	1.8
199.08751	1.2
208.09872	1.0
209.10780	3.1
210.11572	3.1
211.08670	1.2
211.12282	2.8
212.13130	1.1
222.11749	0.9
223.08728	3.1
223.12309	3.0
224.09438	5.2
224.13112	2.8
225.10237	2.7
225.13779	4.7
226.14650	2.0
233.06848	0.8
235.08817	1.2
237.10231	2.1
237.13943	1.8
238.14369	0.8
239.08147	1.4
239.11893	0.9
239.15446	2.0
249.10242	1.0
251.08122	1.2
251.11835	1.9
252.08878	0.8
253.09758	1.8
253.13431	6.8
255.11293	1.4
256.12122	1.0
261.13803	1.3
263.08322	1.7
265.13220	0.7
266.14084	1.0
279.11313	1.6
281.09122	0.9
291.07642	1.0
293.09235	1.1
297.12457	4.8
303.62903	0.8
319.07132	1.0
354.12558	0.8
401.17462	1.0
417.20795	1.1
421.19995	1.7
428.16473	0.8
431.22470	1.1
435.21899	1.2
436.21985	1.1
445.20132	1.3
449.19666	2.3
460.22528	1.0
463.21295	2.6
464.22061	1.0
487.21426	5.4
490.20035	1.5
491.20834	2.8
492.21326	1.3
500.21942	2.8
503.20468	1.7
505.21945	1.6
509.25482	1.0
518.22736	1.4
519.24207	8.9
520.23901	1.2
530.22919	2.1
533.22003	2.3
536.24292	0.9
537.25006	5.8
543.23694	0.9
545.21912	2.1
546.22827	1.6
561.24530	3.4
563.22620	0.9
565.24377	4.4
571.20117	3.0
578.25079	0.9
579.22491	4.5
580.25366	1.1
581.35956	3.9
586.39606	0.9
589.21393	4.9
593.27618	2.2
607.24695	2.3
611.25189	1.0
621.27136	16.3
639.27759	100.0
639.39832	22.1
640.28003	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	639.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13540	0.8
55.68878	0.9
58.29277	0.7
67.05512	1.0
69.35406	7.0
70.99431	0.7
92.02254	0.9
94.27061	0.9
104.55502	0.8
127.16014	0.8
135.37273	0.9
147.21678	0.9
196.10005	0.8
197.10974	0.9
206.06827	1.2
211.12299	1.2
223.12450	1.5
229.60446	0.9
235.12343	1.3
237.13913	1.3
249.10188	1.3
250.10893	1.0
251.15518	1.2
292.09985	1.0
314.12979	0.9
330.16141	1.0
334.36069	1.0
340.14441	1.1
362.15613	1.2
363.16266	1.4
370.15930	1.4
376.16898	2.8
377.17792	4.3
378.18564	2.4
386.14896	0.9
389.17950	1.3
390.18732	1.6
391.19177	9.3
392.19849	3.6
393.20908	4.2
401.17783	1.1
403.19437	2.5
404.20099	1.0
405.20920	7.9
406.21515	2.5
407.22513	5.5
415.19269	1.7
417.21201	1.6
419.17813	1.4
419.22397	3.6
420.22781	1.6
421.20285	3.4
422.17395	1.4
431.18665	2.1
433.20105	2.5
434.21426	1.6
435.22443	5.4
436.18594	1.9
437.19769	4.7
445.20245	1.5
447.21835	2.1
449.19525	5.1
450.20654	1.7
451.21548	5.4
459.18027	2.3
460.18314	0.9
463.21124	1.0
463.25107	2.5
464.21786	1.9
465.18970	17.3
466.19897	5.1
473.23541	2.6
474.20483	2.5
475.21307	1.1
477.18808	1.3
478.19705	1.4
479.20163	14.9
480.21802	3.5
489.22626	4.2
491.21274	1.3
492.21423	1.2
493.22122	1.9
501.23828	1.4
502.19406	1.8
505.18628	2.1
506.19635	3.5
507.24179	12.8
508.24435	2.5
509.20871	1.4
515.20868	2.3
517.22467	20.4
518.22827	7.7
519.19550	2.2
520.24164	1.1
523.24219	4.4
531.23676	0.9
533.21851	1.8
535.23407	15.6
536.23853	3.0
537.21167	9.6
538.22205	0.9
547.23511	1.8
551.22632	5.7
552.23633	27.6
561.20941	6.9
565.24390	2.8
569.27771	1.3
575.22754	6.3
579.22083	18.7
580.22485	5.5
593.23639	2.1
595.25287	7.2
597.26978	6.2
607.25531	29.7
608.26123	2.3
611.25702	2.8
621.23444	28.0
621.38416	1.2
622.24359	1.4
639.24493	100.0
639.40503	9.2
640.26245	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	638.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58875	4.9
53.03935	13.4
55.01854	8.2
55.05263	6.6
55.05510	54.7
57.03427	7.4
57.07066	6.5
61.02929	6.5
61.81154	4.6
65.03934	7.5
67.05510	27.2
69.03435	37.4
69.07079	37.3
70.06594	20.9
71.00609	9.2
71.01360	3.8
71.04994	24.9
72.08138	5.2
79.05495	25.3
81.03433	35.1
81.07063	74.1
83.04991	12.4
83.08614	8.3
84.08148	9.0
85.02911	55.5
85.06556	22.0
86.09709	10.5
87.00833	30.1
91.05476	26.5
93.07050	73.0
95.04977	16.8
95.08616	56.0
97.02917	31.1
97.06551	10.9
97.10178	100.0
99.04453	14.7
105.01871	16.4
105.07032	32.5
107.08605	53.3
109.02869	34.5
109.06520	10.5
109.10163	48.9
111.08097	9.0
111.11751	12.2
117.01829	5.1
119.08582	31.4
119.93760	4.3
120.08151	7.3
121.06538	8.3
121.10157	68.2
123.08069	16.5
123.11722	16.9
125.09628	29.1
127.03933	46.2
131.08539	12.4
133.10120	26.7
135.08107	6.6
135.11699	40.9
137.09598	17.2
139.11183	17.8
141.09120	8.4
143.10710	26.2
145.04971	13.7
145.10101	28.5
147.11711	24.0
149.09648	12.1
149.13298	19.4
151.07535	8.3
151.11116	9.5
153.12689	9.5
157.12239	5.9
159.02928	11.0
159.11702	16.3
161.09703	5.0
161.13243	6.1
163.03925	8.6
163.11183	21.9
163.14781	7.8
165.09135	16.1
171.10236	5.5
173.13287	8.6
175.11226	6.3
175.14838	6.0
176.11908	4.3
177.12759	7.6
181.12245	15.2
185.13353	7.5
189.11264	10.0
191.14192	6.2
191.51797	4.9
195.13719	9.5
199.14783	4.9
203.14378	4.7
223.13254	5.2
224.13655	4.8
231.05006	10.9
237.14789	5.2
247.09714	15.0
273.22101	7.1
275.20068	23.9
283.20551	8.6
289.21564	11.4
290.38416	4.1
291.23270	21.0
293.21133	84.6
301.21640	60.9
307.22751	14.3
319.22708	81.3
325.23782	22.2
337.23755	81.9
355.24622	10.8
372.21948	4.9
465.77563	4.3
638.31757	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	638.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.3
55.01862	7.1
55.05276	3.3
55.05515	42.7
55.55180	1.7
57.03429	4.6
57.07071	2.8
59.98169	1.8
61.02918	3.8
67.05504	22.6
68.99776	2.5
69.03436	28.6
69.06727	3.3
69.07072	37.5
69.19720	20.2
70.06576	6.3
71.04994	19.0
73.02911	5.7
79.05499	17.9
81.03425	17.8
81.06598	3.7
81.07063	69.5
83.04963	6.7
83.08609	10.2
85.02448	2.5
85.02914	38.9
85.06531	6.0
86.09686	3.6
87.00829	17.9
91.05474	18.7
93.06491	4.3
93.07048	62.9
95.04981	9.8
95.08610	55.7
95.55529	1.8
97.02908	13.5
97.06535	15.5
97.10176	100.0
99.04457	8.5
99.08054	2.6
105.01854	9.8
105.07040	29.5
107.04952	3.4
107.08596	45.7
109.02908	13.7
109.06566	10.8
109.10166	37.1
111.08068	4.1
111.11734	5.2
113.09638	2.5
117.07027	4.2
119.08599	28.2
120.08132	3.7
121.06492	7.0
121.09335	3.8
121.10147	57.0
123.08074	12.0
123.11708	21.2
125.09636	29.8
127.03922	19.0
127.07584	2.0
131.08524	7.5
133.10141	25.3
135.08052	8.0
135.11699	33.8
137.05951	3.7
137.09630	14.8
137.13216	3.7
139.07492	2.6
139.11218	12.6
141.09084	4.3
143.08569	2.1
143.10696	25.1
145.04945	6.4
145.10162	20.9
147.11716	16.4
149.09682	14.3
149.13254	22.8
151.07538	3.6
151.11215	5.8
153.09001	2.2
153.12747	4.4
155.08485	2.6
155.10646	2.3
157.10176	6.0
157.12216	3.9
159.02875	5.8
159.11725	13.7
161.09596	7.3
161.13261	6.6
163.11192	19.3
163.14746	4.7
165.09146	5.4
165.12706	5.2
169.10133	2.5
171.10188	4.4
171.11610	4.6
173.13264	4.9
175.11195	7.4
175.14809	4.9
177.12755	8.9
181.12247	19.8
183.10150	2.8
185.13408	3.0
185.75014	2.1
187.11121	2.4
187.13293	2.5
187.14807	4.0
189.11214	6.1
189.12831	4.0
191.14407	2.1
195.13809	9.5
197.13341	2.4
207.13812	3.8
209.15286	2.5
213.03731	2.0
223.13173	4.5
225.14804	2.5
231.04974	2.2
235.16959	2.4
237.14899	3.2
255.21104	3.5
257.19058	5.3
273.22180	5.9
275.20120	24.2
283.20590	5.4
289.21628	5.7
291.23218	21.7
293.21140	91.9
301.21637	49.5
307.22729	14.5
309.24179	6.1
319.22681	63.6
325.23697	17.3
337.23773	77.9
355.24875	13.8
372.21991	3.3
549.26978	3.6
567.28180	3.2
640.76422	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	637.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
69.14760	2.4
69.15187	3.2
70.30505	0.5
81.07066	0.7
95.08626	0.6
103.37922	0.6
115.18622	0.5
142.63164	0.6
209.10809	1.6
211.12448	0.8
223.12411	1.7
224.13179	1.8
225.10289	1.4
225.13904	1.1
237.10248	1.3
237.13896	2.4
239.08250	0.6
239.15430	0.9
249.10229	0.8
251.08214	1.2
251.11842	0.6
253.13103	0.6
257.09042	0.7
258.52927	0.6
265.13516	1.0
311.14044	0.7
324.15125	0.7
338.12387	0.7
405.21173	0.6
409.00650	0.7
417.17075	1.3
418.17715	1.3
419.18622	1.6
431.18582	1.1
433.20184	3.2
445.20923	1.1
447.21954	2.6
448.22888	1.6
459.22620	2.6
461.19855	2.0
462.20566	0.9
473.18973	0.7
475.21097	4.3
476.22174	9.8
477.23105	0.7
493.21774	0.7
503.21039	0.8
505.21835	1.0
519.23901	1.7
521.22571	0.6
533.21826	0.7
535.27179	0.7
545.25226	1.3
547.22668	2.9
548.23993	0.8
549.24689	1.1
559.23352	0.7
561.25336	1.1
562.25928	9.3
563.26379	4.0
577.28546	4.3
579.26178	1.6
590.25500	1.1
593.24664	1.2
595.48230	0.7
605.24298	1.4
609.27252	0.8
612.42444	0.6
619.25781	1.4
622.27844	2.3
637.30249	100.0
638.30566	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	637.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.0
55.05499	0.9
55.96158	0.9
56.05033	1.8
61.35547	0.9
64.66610	1.0
69.03432	4.4
69.07061	1.8
70.06611	7.7
71.37936	1.3
71.38264	0.9
72.08173	1.7
79.05514	1.2
81.03415	2.2
81.07059	3.2
83.01123	1.0
83.04998	1.1
84.08136	2.5
85.02904	3.2
85.06577	1.1
86.09711	4.7
91.05512	1.4
93.07056	2.3
95.08618	1.7
97.02929	1.8
101.07099	1.0
104.05330	3.5
105.07039	2.4
107.04958	2.0
107.08599	3.2
109.02889	1.6
109.06572	1.5
109.10127	1.7
111.04238	2.2
111.08105	1.4
119.08606	1.1
120.04456	1.0
120.08139	3.8
121.10185	1.3
125.09653	3.2
127.03798	2.8
135.11665	1.1
136.82327	1.0
137.05991	2.0
149.09642	1.6
155.06891	1.0
177.05579	1.1
179.07092	1.8
259.11594	1.3
260.10730	2.9
371.24088	20.7
387.23315	1.2
389.13098	0.9
389.25140	23.8
389.30200	1.2
417.24448	6.1
431.26373	3.8
533.29376	8.9
551.30389	48.5
593.31500	98.1
594.31604	2.9
637.30475	100.0
638.30988	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05476	1.5
67.32190	1.5
71.48932	1.9
81.07060	2.1
93.07063	2.1
95.08619	2.7
128.80765	1.3
128.81848	1.4
253.94220	1.5
278.97733	1.8
304.32483	1.5
391.19327	2.3
392.20139	2.2
401.17206	1.6
405.20850	5.1
406.21671	5.6
414.18530	2.9
415.19440	3.3
419.22580	2.7
420.23193	3.0
421.23813	7.9
428.20190	3.1
429.21017	9.5
431.18500	2.4
434.24982	2.8
442.21423	2.3
443.22449	5.1
444.23053	4.9
445.20544	5.3
457.24509	3.1
458.25037	8.6
459.21994	5.7
460.22510	4.3
461.19742	6.3
470.20935	1.8
472.22748	7.3
475.21408	3.6
476.22415	4.5
485.23547	14.6
486.24515	4.4
487.20972	2.4
488.21902	3.7
489.22794	2.6
500.22195	1.7
502.24213	1.9
503.24539	17.8
513.23364	3.1
514.23267	1.9
517.26276	8.1
535.27094	24.7
545.25519	71.2
546.25751	3.0
563.26819	4.0
573.25110	12.0
577.26184	1.8
605.27686	65.6
606.28101	2.5
637.30328	100.0
638.30347	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	637.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06842	1.4
53.03945	2.0
55.01878	2.5
67.05530	3.6
69.03425	2.9
69.07065	3.6
70.06593	9.1
71.05004	1.6
71.24472	1.8
71.48717	2.0
72.08163	2.7
79.05522	1.4
80.50260	1.3
81.07047	2.4
81.28345	1.3
83.04990	1.6
84.04516	2.5
84.08148	5.5
85.02909	3.0
86.09696	7.7
87.05528	1.4
88.09212	1.5
93.07052	1.9
95.04980	1.5
97.61075	1.4
99.04473	1.9
108.04454	1.5
108.07436	2.5
108.08120	32.0
109.02912	2.2
118.72517	1.6
120.08103	6.5
120.14380	1.5
129.10252	2.3
136.07587	63.4
137.02327	1.9
137.06006	7.2
137.95772	1.4
138.05516	1.4
138.09117	5.3
140.07077	7.0
142.05293	1.3
148.07542	12.3
148.08339	1.2
149.09660	1.9
152.07030	2.2
157.06531	1.7
157.08795	2.0
162.09103	1.6
164.07068	8.3
164.08318	1.7
164.44604	1.3
167.07065	5.4
168.06534	2.5
174.24843	1.6
181.04968	1.8
187.08725	1.5
191.14326	1.9
199.08594	2.6
201.10204	3.0
213.10204	3.6
214.11009	2.0
215.08215	2.8
215.11810	2.0
218.08229	2.3
218.55807	1.6
225.10240	3.9
227.08261	3.0
227.11855	3.9
239.11717	2.2
241.09674	3.4
242.10512	1.8
243.11319	2.0
255.11249	17.9
257.12921	4.0
265.11914	2.5
267.11383	1.7
269.12885	5.4
272.56430	1.5
285.12387	5.9
287.13947	11.1
297.12372	5.8
302.12756	3.9
303.13434	4.4
315.13394	100.0
316.13898	3.1
317.11389	4.7
317.14917	2.2
318.11960	3.3
323.76733	1.8
355.16736	1.7
371.15027	4.9
383.15991	3.0
418.18164	1.8
432.19278	1.8
436.18433	2.2
450.20355	5.4
451.21460	1.7
454.19632	7.9
455.20309	6.7
456.21280	19.6
591.28284	7.5
601.26654	7.4
602.25061	2.7
619.27612	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	637.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	4.7
58.03188	1.7
67.05490	2.9
69.03441	3.2
69.07063	2.6
70.06605	8.1
70.17123	6.0
72.08160	1.9
81.03420	2.2
84.04504	3.1
84.08142	3.9
85.02905	4.3
86.09716	5.9
91.05516	1.7
91.61759	1.7
93.05830	2.3
96.02267	1.4
97.02887	1.8
99.04462	1.9
102.49942	1.5
105.07060	2.8
108.08134	40.7
109.06518	1.7
119.08525	2.6
120.08116	4.0
124.07603	1.6
125.09663	2.6
127.03899	2.6
131.04909	2.3
134.06026	2.0
136.07596	63.0
137.05966	5.2
138.05457	2.2
138.09148	3.9
140.07100	5.6
145.06581	1.7
146.06015	1.8
146.33766	1.5
148.07620	12.7
148.37575	1.7
152.07076	2.9
153.01851	2.1
154.08635	2.8
161.05951	2.7
162.09224	2.3
164.07086	9.9
167.07074	5.7
168.06581	5.2
190.08643	2.5
199.08719	3.2
201.10359	2.4
213.10437	3.5
215.08145	1.7
215.11734	3.1
218.08334	2.6
225.10254	2.0
227.11763	3.2
236.27283	2.0
241.09715	2.0
243.11310	2.2
255.11292	16.8
256.11716	2.0
257.12912	4.3
259.10709	2.0
265.11865	4.4
269.12939	5.9
285.12320	8.2
287.13901	9.5
289.11722	2.0
289.42401	1.9
297.12515	6.1
301.12018	2.1
302.12668	4.7
303.13385	4.2
315.13412	100.0
316.13934	6.8
317.11234	2.9
317.14761	2.5
319.11557	1.8
371.14890	5.6
383.15927	3.2
389.12302	1.9
422.20871	2.0
432.19330	2.4
438.20709	2.1
450.20291	6.2
454.19681	10.8
455.20560	5.2
456.21347	21.6
573.27301	1.8
591.27759	5.2
601.26636	7.9
602.24854	2.7
619.18024	2.4
619.27722	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2664
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
52.73039	1.0
53.03952	2.4
60.96734	1.2
67.05499	2.7
69.07074	1.8
69.48517	9.3
77.13396	1.1
79.05494	5.1
81.07069	1.9
91.05486	2.4
94.06475	1.2
94.24804	1.2
95.04988	1.8
95.08625	2.0
104.04984	4.0
105.07043	1.5
106.06573	2.6
107.08615	1.3
120.08141	1.5
134.06029	12.6
138.05444	2.6
160.03969	1.8
161.68683	1.3
162.61371	1.0
172.03963	5.1
178.05005	15.0
194.08174	1.2
195.09175	2.5
197.10747	2.5
204.06560	5.8
209.10847	1.2
211.08752	1.9
221.10892	1.3
223.08679	4.2
223.12334	2.6
224.09413	2.9
225.10301	3.9
227.11827	1.8
235.08711	5.0
235.12325	1.3
236.09558	2.7
237.10320	5.8
238.11060	1.6
239.08295	1.9
248.09279	1.7
248.58826	1.2
249.10272	5.3
250.11043	2.9
250.49083	1.3
251.08234	3.7
251.11749	6.0
252.12682	1.6
253.13394	6.8
255.11368	1.6
263.08084	2.9
264.09021	1.4
265.09680	3.9
266.10666	1.3
269.12762	1.1
277.06912	1.3
277.09756	5.9
277.12531	1.3
278.10660	1.4
279.11346	4.3
281.09448	1.6
281.12820	3.2
293.09326	1.6
293.12854	1.7
293.97272	1.2
296.11798	1.3
297.12411	4.7
298.13223	1.7
303.07788	1.6
305.09229	3.0
307.07083	1.7
307.10535	1.5
309.12723	2.7
310.13123	1.3
311.10513	1.5
311.14105	2.0
312.11630	2.1
312.15286	1.5
313.12552	2.0
314.13028	2.8
315.14124	1.3
323.10437	1.5
324.11334	2.9
325.12054	3.7
326.13083	6.3
328.10925	1.9
328.14505	1.9
330.16269	1.7
337.11850	16.0
338.12958	3.8
339.13803	3.5
340.10876	2.3
340.14529	6.4
341.15387	1.9
342.12183	2.4
342.15967	2.0
351.09738	2.3
352.10794	2.7
353.11594	2.9
354.12366	2.8
354.16287	2.4
355.13037	2.8
356.14047	2.4
358.15527	3.0
366.12292	3.4
367.13257	2.8
368.14038	3.8
370.15607	3.5
382.15723	3.9
384.17307	1.8
390.18158	1.7
395.12518	1.6
396.13379	3.7
403.15576	2.3
410.15088	4.4
412.16971	2.4
417.17313	2.3
419.18884	1.8
428.16010	2.5
429.16962	1.7
431.19153	2.0
433.20724	2.2
438.14575	1.8
442.17712	4.4
460.19217	1.5
461.19864	3.3
463.21420	1.7
465.35828	1.7
470.17233	7.1
475.21982	1.7
488.17847	1.8
490.18994	1.7
491.20670	2.8
503.20572	6.0
517.22296	3.7
519.24133	1.8
530.19342	3.3
531.19958	2.2
535.23450	32.7
545.21844	5.1
549.24976	3.8
550.25171	1.2
559.23480	3.2
563.22650	4.9
573.21356	4.4
577.24457	44.2
578.25275	1.5
595.25659	14.7
605.23981	87.4
606.24725	2.6
619.25586	1.6
623.25012	1.6
637.26697	100.0
638.26483	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86558	0.4
57.74629	0.3
67.05571	0.9
69.83641	1.2
69.84048	1.0
71.08667	0.4
79.05541	0.5
91.05518	0.7
93.07109	0.5
94.06647	0.9
95.08676	0.4
107.07422	0.9
109.08990	0.6
118.06571	0.5
125.09682	0.5
125.53838	0.4
130.06644	0.8
136.07599	0.4
144.08212	0.6
146.06094	0.9
154.06677	1.0
156.08124	0.7
158.09784	0.5
160.04048	0.5
162.05623	1.4
166.06610	0.6
166.07982	0.4
167.07494	1.0
168.06941	0.7
168.08260	1.7
169.07722	0.5
169.09019	0.5
170.09787	0.7
179.06094	0.9
180.08270	1.6
181.07739	2.2
181.09033	1.1
182.08495	1.7
182.09805	1.3
183.09291	1.2
183.10686	0.5
184.07619	0.4
192.06853	0.6
193.07585	4.0
193.09235	0.5
194.08357	2.5
195.09172	9.5
196.09885	4.5
197.10760	5.4
198.08049	0.6
198.12970	1.0
200.09636	0.9
206.08443	0.8
207.09152	5.9
208.07776	1.8
208.10143	5.5
209.07268	2.2
209.08873	0.9
209.10722	10.3
210.08116	1.4
210.11499	9.2
211.08696	2.1
211.12288	3.7
212.09663	0.6
212.13074	2.5
219.07210	0.5
219.09372	1.5
220.10103	0.9
221.07103	4.5
221.10913	1.5
222.07848	3.0
222.11751	1.0
223.05359	0.5
223.08698	11.5
223.12227	7.7
224.09431	20.3
224.13271	3.4
225.10297	8.5
225.13843	10.2
226.07504	0.8
226.11017	0.5
226.14622	3.0
227.08395	0.5
227.15665	1.4
228.09042	0.6
233.07161	0.4
233.10912	0.6
234.08038	0.5
235.08699	8.8
235.10774	0.5
235.12447	0.6
236.05699	0.9
236.09467	5.5
237.06760	1.4
237.07869	0.7
237.10234	7.1
237.14056	0.9
238.07463	0.9
238.10994	4.0
239.08136	2.9
239.12003	1.2
240.12761	0.5
241.09860	1.0
247.08929	0.9
249.06808	1.7
249.10358	0.7
250.07578	1.8
250.10995	0.4
251.08386	6.2
251.11992	7.2
252.09171	1.8
252.12729	0.8
253.09811	1.7
253.13368	26.1
254.07034	0.9
254.14023	0.6
255.11307	4.3
256.09195	0.6
256.12106	4.8
256.14294	0.4
263.08160	6.5
264.08945	5.3
265.06345	1.6
265.09897	4.3
265.13199	0.8
266.06989	1.1
266.10437	2.1
267.07785	1.3
267.11456	0.7
268.08661	0.6
269.09421	1.6
269.13089	1.5
270.13794	1.4
271.14642	1.7
272.08145	1.0
275.08353	0.8
277.06271	2.7
277.09702	0.5
278.06912	0.9
279.07907	3.2
279.11496	6.6
279.13953	0.6
280.08441	0.5
281.09418	4.7
281.13034	2.7
282.10190	0.9
283.07590	0.7
283.11038	1.0
291.07623	8.0
292.08502	0.8
293.09247	2.4
295.07336	1.2
295.10727	0.8
297.08902	1.3
297.12570	5.0
300.11258	0.5
307.11026	0.8
308.08224	1.2
309.08719	2.5
310.09546	4.2
311.10437	1.9
311.14157	1.4
319.07111	2.1
321.08890	0.7
323.10486	1.4
324.11432	0.5
325.11874	5.5
329.11719	0.4
337.08493	1.1
343.12796	0.5
344.14166	0.6
351.09769	42.0
352.10251	0.6
353.11978	0.6
356.14432	0.5
369.10834	19.3
370.15512	0.5
383.12521	0.5
397.10361	0.8
403.15707	0.9
405.17188	0.7
417.17386	0.6
431.14676	0.6
438.14651	1.2
445.16559	0.9
447.18179	0.7
456.15692	0.5
458.17459	1.4
460.18689	0.5
461.19888	0.8
462.20840	0.6
470.17264	2.4
475.21326	0.8
476.22104	0.5
489.23254	1.5
503.21002	1.8
517.22473	8.3
534.23553	0.5
545.21960	3.0
549.24683	1.5
563.23145	0.6
573.21326	5.3
577.24481	44.0
578.24622	1.6
605.23987	100.0
606.24182	3.9
637.26605	20.1
638.26544	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05521	1.1
69.26464	2.9
69.26877	5.0
81.07015	1.0
86.85880	0.9
88.73531	0.8
95.08560	0.9
96.17417	0.9
96.55417	0.8
97.02902	1.0
107.08619	1.3
209.10756	1.2
217.29684	1.0
310.15088	0.8
313.27374	2.4
314.12930	1.0
364.18115	1.2
374.16681	0.9
377.17621	1.1
391.19119	1.4
393.20328	2.0
399.16089	1.8
400.16772	3.2
401.17578	2.8
407.22372	2.9
413.17636	3.1
414.18558	4.4
415.19522	7.9
421.20264	2.7
425.17490	1.5
428.20703	4.3
429.15793	1.5
429.21368	7.4
430.21561	2.4
435.21683	2.4
441.16873	1.4
442.17557	1.0
443.17465	5.4
444.19284	3.8
445.20493	2.2
456.19550	2.1
457.20160	5.7
458.21127	4.9
459.18182	1.3
462.20111	1.3
471.22406	6.3
472.23318	4.7
473.19687	3.7
474.20416	1.1
481.00760	1.1
485.19580	2.8
486.20547	6.7
487.21335	3.5
489.23550	1.2
490.19943	2.8
499.21341	13.1
500.21982	1.8
501.23083	1.0
503.24283	3.0
504.21530	1.0
517.22247	4.5
527.20612	3.0
531.23883	12.4
543.23938	1.9
545.21460	1.2
549.24951	1.3
559.23450	100.0
560.23682	4.0
577.24432	1.4
587.22992	18.3
619.25537	93.7
620.25525	4.0
637.26624	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	637.2658
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
51.64184	0.5
54.13453	0.5
54.82474	0.4
58.48370	0.5
62.10470	0.4
69.54798	3.2
95.71906	0.5
98.21467	0.7
209.10796	0.8
236.04144	0.4
297.13574	0.5
360.14529	0.6
374.16354	0.7
377.17703	0.9
378.18539	0.6
379.19073	0.6
385.14581	0.9
386.15643	1.3
387.16272	1.4
388.17905	0.6
391.19171	1.6
392.19907	1.1
393.20602	2.3
398.16125	0.7
399.16217	2.7
400.16785	3.4
401.17856	3.6
402.18585	0.6
405.21109	0.9
407.22226	3.7
411.16290	0.6
412.17380	0.6
413.17871	3.2
414.18771	3.9
415.19394	9.7
416.19858	1.4
417.20541	1.9
419.18524	0.7
421.20306	2.3
425.17664	1.7
427.19235	1.8
428.14954	0.8
428.20648	3.6
429.15863	0.9
429.21368	7.6
430.21973	2.5
431.18494	0.8
432.15515	0.5
435.21869	2.2
436.23013	0.5
439.19168	1.4
441.17209	1.9
442.17917	2.0
443.18231	3.6
443.22543	4.8
444.18607	5.2
445.20236	3.3
447.18042	1.1
455.19104	0.9
456.19431	1.5
457.20422	6.7
458.21222	4.9
459.17462	0.8
459.22821	0.6
461.19547	0.6
469.16562	0.8
470.17242	0.8
470.28973	0.5
471.22342	7.5
472.23117	5.8
473.19501	5.9
474.20313	1.4
475.17371	0.6
476.18591	0.8
484.18784	1.7
485.19888	3.7
486.20587	7.4
487.21439	3.2
488.21915	1.3
489.23401	1.0
490.19653	2.6
491.20621	0.7
499.21378	11.6
500.22717	3.5
502.19641	1.0
503.24683	4.9
513.19318	0.7
514.20172	1.5
516.21411	1.4
517.22260	4.2
518.23376	1.3
527.21149	3.0
528.21613	1.4
531.24030	14.2
532.24854	0.6
541.22333	0.8
543.24017	1.2
544.20441	0.6
545.21680	1.0
549.25092	0.5
559.23456	100.0
560.23810	4.3
578.25049	0.9
587.22913	17.0
588.22137	0.7
591.26086	0.6
605.23914	0.7
619.25555	90.0
620.25897	3.6
637.26660	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	637.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
60.60418	0.5
98.21568	0.8
131.49959	0.6
137.14569	0.5
207.09093	0.6
208.10052	0.8
209.10712	1.1
249.10118	0.8
271.12454	0.8
331.19949	0.5
340.14355	0.6
363.16116	1.0
374.16306	1.0
375.16586	1.5
376.17209	1.4
377.17749	3.6
378.18372	2.1
385.14966	1.1
386.15805	1.2
387.16333	1.4
388.17651	0.8
389.17880	2.0
390.18484	1.5
391.14972	0.8
391.19366	4.5
392.19980	3.4
393.20807	4.5
399.15997	2.7
400.17303	3.4
401.17761	5.5
402.18362	1.3
403.19736	1.2
405.16586	1.3
405.20941	2.3
406.21741	1.1
407.22458	7.5
408.23175	1.0
410.14847	0.6
411.16290	1.2
413.17786	3.0
414.18677	4.8
415.19461	9.2
416.19983	2.4
417.21295	1.2
419.18530	2.0
419.22656	1.7
420.19397	1.0
421.20032	6.3
425.17719	1.2
427.19440	1.6
428.20505	3.8
429.21353	8.2
430.21494	2.5
431.18539	2.8
432.19904	0.7
433.15976	1.1
433.20883	1.2
434.21060	1.0
435.21799	6.3
436.22449	2.4
439.19302	1.8
441.17255	2.1
442.17984	1.7
443.18222	3.1
443.22549	4.8
444.18854	4.9
445.20529	4.0
446.21371	1.0
447.18271	3.4
455.14041	0.7
456.19431	2.0
457.21194	5.0
458.21219	4.8
459.17639	2.8
461.19458	3.3
462.19968	1.3
463.21088	1.4
466.20071	0.8
469.16528	1.4
470.17462	0.8
471.22452	6.4
472.23282	5.2
473.19537	6.3
474.20554	3.6
475.17584	2.2
475.22458	0.8
476.17899	0.9
484.19135	1.1
485.19781	5.5
486.20602	7.7
487.21887	3.7
488.22794	1.1
489.19067	3.7
489.23425	2.4
490.19458	5.3
491.20844	2.4
499.21442	11.5
500.22791	4.7
501.22845	2.1
502.20013	1.8
503.24530	3.4
504.21005	0.8
512.19110	0.7
513.19165	8.2
514.20245	1.8
516.21497	1.8
517.22412	18.6
518.22186	1.8
519.20605	1.5
521.25433	2.6
522.26117	1.3
527.21027	3.7
528.21448	1.1
529.22400	2.3
531.24603	13.0
532.24542	0.8
535.23474	0.7
543.23889	1.4
545.21942	1.7
549.24982	6.7
550.25580	0.9
559.23444	86.9
560.23553	3.4
573.21381	1.2
577.24554	3.7
578.25134	1.8
587.23004	18.2
591.26288	4.8
605.23877	9.4
609.26996	1.6
619.25568	84.9
620.25806	3.1
637.26593	100.0
638.27026	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	635.2716
Annotation	3-Hydroxyethylbacteriochlorophyllide a
Peak:m/z	Relative Intensity
55.05503	1.2
65.03937	1.4
67.05500	3.5
68.38207	0.9
69.03419	3.6
69.07065	2.1
70.06604	4.8
70.79630	0.9
71.06924	0.9
71.62587	0.9
72.08144	1.4
75.09591	0.8
77.79076	0.9
79.05491	1.8
81.03426	2.1
81.07056	2.1
84.04466	1.0
84.08150	2.5
85.02904	2.7
86.09708	3.3
91.05482	2.9
93.05804	1.1
93.07050	3.2
94.06561	7.7
95.04932	1.4
95.08615	2.0
96.08094	0.8
97.02911	1.6
97.06554	1.2
103.05455	1.4
105.07028	3.3
106.06568	1.3
107.04907	0.9
107.08594	3.0
108.08125	6.0
109.02859	1.6
109.10154	2.0
110.53447	1.1
111.08047	1.3
119.08568	1.6
120.08125	5.1
121.10152	1.9
122.06031	2.4
122.09686	1.9
125.09602	2.3
127.03940	1.9
133.10103	1.0
134.06030	7.6
134.09706	1.2
135.08018	0.9
136.07567	7.0
137.05997	3.1
137.09610	1.2
138.09109	1.2
145.10124	1.2
147.11719	1.4
149.09572	1.1
159.11752	1.3
162.05528	3.4
163.07509	1.1
164.07089	2.2
166.47591	0.8
171.11555	1.1
183.09209	3.8
184.09975	4.0
185.10793	1.9
197.10770	6.8
198.11522	3.1
199.08717	2.0
199.12340	4.0
201.13881	1.5
209.10690	1.5
210.11571	2.0
211.08730	1.9
211.12332	4.1
212.09406	2.7
212.13138	5.3
213.10370	1.9
213.13858	13.9
215.11852	1.1
223.12358	3.6
225.10269	8.0
225.13940	5.4
226.10977	1.8
227.08253	1.5
227.11801	4.3
227.15353	1.2
231.41611	1.1
237.13811	3.2
238.11024	2.6
238.14662	2.0
239.11754	14.4
239.15469	3.4
240.08916	1.5
240.12587	30.6
241.09734	1.8
241.13435	8.8
243.11255	1.2
243.14873	1.4
249.42557	1.0
251.11775	1.7
253.13358	17.4
255.11310	3.9
255.14995	1.3
265.13303	2.7
267.11392	1.5
267.15027	3.1
269.10062	1.4
269.12881	9.5
270.13681	3.8
275.10526	1.4
283.14459	1.5
285.12427	1.7
289.11853	1.2
291.13916	1.2
292.14386	4.2
294.16080	1.6
306.12494	1.1
306.15860	1.7
308.17535	1.9
313.11810	1.9
315.13452	1.1
317.11505	1.2
320.13870	2.1
322.15466	1.3
329.11398	2.9
331.13052	1.3
334.15485	2.3
336.17029	3.8
338.80325	1.0
349.14020	2.1
350.18631	3.8
362.14963	1.3
363.16187	1.3
364.20334	1.1
367.15652	1.4
377.17502	1.7
383.18521	1.0
394.17545	2.8
397.20453	4.8
408.19098	3.1
413.19696	1.7
423.18127	1.6
425.20215	5.5
426.20367	1.1
432.18723	1.1
434.16730	1.2
436.18988	5.1
437.19968	1.3
439.21664	4.3
450.20465	6.8
454.19977	1.4
455.20609	4.4
456.21143	1.4
466.19586	1.6
467.20688	5.0
468.21802	4.5
470.18918	1.8
483.24213	1.3
487.23257	1.7
511.23346	3.9
515.23157	1.6
529.24548	6.9
535.23627	1.2
539.22919	2.0
547.25635	1.2
553.24298	5.4
557.24182	12.8
571.25653	9.7
575.25085	15.1
581.24225	5.7
586.24042	2.1
587.25031	34.4
589.26648	11.1
599.25018	44.8
617.26105	100.0
618.26727	5.0
635.27539	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	635.2721
Annotation	3-Hydroxyethylbacteriochlorophyllide a
Peak:m/z	Relative Intensity
53.03964	0.6
55.01882	3.2
55.02082	0.5
65.03956	0.8
67.05499	2.2
69.07072	1.0
70.06603	3.5
70.95601	0.5
72.08165	0.8
79.05515	0.6
80.05004	0.9
81.07018	0.6
84.04512	1.4
84.08151	1.6
86.09720	1.0
86.82512	0.6
87.00827	0.6
91.05485	2.4
93.05794	2.0
93.07031	2.2
94.06567	2.4
95.04996	1.1
96.04488	0.8
96.08189	0.6
98.06036	1.6
105.07024	1.0
106.06550	0.8
107.07372	0.7
107.08619	0.9
108.04495	1.6
108.08128	41.9
109.06529	1.3
110.06049	1.4
110.09701	0.7
111.06807	0.8
120.08098	1.5
122.06040	3.7
122.09693	1.4
123.06842	0.9
124.07607	1.4
129.10286	1.2
132.08138	1.2
134.06049	1.2
134.09688	2.5
135.08086	1.0
136.07590	100.0
137.06009	0.9
137.08377	9.0
138.05501	0.9
138.09169	3.4
140.07076	1.6
144.08047	1.0
146.06111	0.6
148.07591	5.4
150.05484	1.3
150.07967	0.5
150.09166	2.0
152.07089	1.6
152.10745	1.3
154.08644	12.8
158.09610	0.7
160.07611	2.4
161.08444	0.7
162.05560	1.2
162.09158	10.7
163.08690	2.6
164.07086	19.8
165.07889	10.1
166.08633	6.2
167.07062	1.0
168.06584	3.5
172.07597	2.4
173.10677	1.0
174.09160	2.2
175.08684	1.9
177.06635	0.9
177.10225	2.2
178.08643	9.2
180.10185	9.2
182.08224	1.3
186.09200	1.6
187.08643	1.3
188.07138	2.5
189.10245	1.7
190.08620	6.1
196.09735	0.6
198.09175	0.9
199.08698	1.0
200.07069	1.0
200.10753	1.5
201.06645	3.3
201.10281	4.0
201.77480	0.6
202.07182	1.2
202.08699	2.3
203.08199	7.1
203.11807	2.0
204.10373	1.0
204.87582	0.6
205.09766	4.7
206.08171	6.3
208.09709	15.0
212.07071	0.6
214.08769	0.9
215.08160	1.2
215.11790	1.2
216.08885	0.9
217.09731	15.4
218.08179	3.5
218.10538	5.5
219.11314	2.5
220.09746	2.2
225.10294	1.2
226.08675	2.4
227.08246	1.0
227.11842	1.0
228.10394	3.1
229.09715	6.1
230.10452	1.3
231.07755	6.0
231.11325	6.5
239.11934	0.8
243.07559	0.9
243.11278	3.3
244.08606	3.0
244.12238	1.3
245.09177	4.7
245.12932	2.2
246.10170	2.3
247.10796	3.1
248.09174	1.0
253.09802	0.7
254.08342	0.8
255.11311	1.8
257.09225	5.8
257.12802	1.2
259.10794	1.7
265.11856	91.8
266.12271	1.2
267.11279	2.0
269.09311	2.3
269.12491	0.7
271.10770	4.8
271.13419	0.6
273.12445	3.4
273.15970	0.8
275.10251	1.4
283.10678	0.8
284.12827	1.3
285.12204	1.4
289.11844	20.4
290.12640	8.4
291.13425	13.5
295.11017	0.8
299.10297	4.8
299.13992	1.9
300.11267	1.5
301.12140	1.1
301.15536	4.4
302.13861	1.8
311.15359	0.8
313.11911	2.2
315.13531	1.7
317.11359	53.1
318.12125	34.1
319.12891	6.4
319.16632	2.6
325.15607	1.6
329.11462	1.8
333.14551	2.7
335.13699	0.6
343.16583	5.9
353.15073	8.8
371.16046	16.8
371.20422	1.1
408.18945	0.7
418.17273	0.9
424.18854	0.8
426.20309	0.6
436.18616	3.5
452.18347	5.7
453.19009	1.2
454.19766	14.8
454.25671	1.2
455.19528	1.0
470.19135	3.9
471.20126	8.2
472.20822	26.6
473.22137	0.6
557.31012	0.7
571.25739	1.1
589.26636	4.1
599.24799	2.0
607.27594	7.4
617.26025	8.5
618.25165	1.1
635.27161	64.2
636.27563	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	634.423
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17451	5.2
50.79659	4.1
53.03940	11.0
55.01884	5.3
55.05508	21.8
57.07061	6.6
62.89800	5.0
67.05518	31.6
69.03432	11.9
69.07071	25.1
70.04311	21.7
79.05495	48.3
81.07065	65.3
83.04995	13.8
83.08628	13.9
84.08126	5.6
85.02896	7.0
91.05490	72.8
93.07048	80.4
95.04978	94.2
95.08617	39.5
97.06525	17.6
98.20810	7.4
105.07034	100.0
107.08614	56.6
109.06528	29.7
109.10167	25.0
111.11687	6.5
115.05483	11.3
117.07034	23.3
119.04947	6.6
119.08585	89.4
119.09366	7.7
121.06512	30.2
121.10152	61.1
123.08096	11.9
123.11697	6.3
125.09624	9.2
128.06233	23.1
129.07002	20.7
130.07841	6.5
131.08577	44.8
132.41315	5.6
133.06439	9.5
133.10149	41.1
135.08047	15.6
135.11751	6.8
141.07018	12.4
142.07799	27.3
143.08580	51.3
144.09322	12.2
145.06508	7.6
145.10133	73.6
146.07330	5.5
147.08061	10.7
147.11697	22.1
149.09642	22.9
153.07016	8.8
155.08566	23.9
156.09390	16.9
157.10123	62.8
159.08073	20.3
159.11708	29.9
161.09584	16.2
165.06976	8.9
166.07848	6.0
167.08568	18.6
167.10689	79.4
168.09302	5.7
169.10130	42.5
170.11015	9.5
171.11714	24.8
173.13277	23.4
175.11211	17.1
179.08578	16.2
180.09349	12.4
181.10120	28.8
182.10899	9.0
183.11685	28.0
185.09604	10.1
185.13249	11.9
187.11227	10.8
189.12854	9.0
192.09370	8.1
193.10146	19.2
193.12141	13.7
194.10896	13.1
195.11760	26.7
197.13287	24.7
198.14156	6.4
199.11111	12.9
199.14851	13.9
205.10191	10.4
206.10928	10.5
207.11760	33.1
207.13498	7.1
208.12390	9.8
209.13231	27.2
211.11212	6.9
211.14798	12.1
213.12802	11.1
215.14352	7.7
218.10994	6.8
219.11722	12.2
220.12573	7.7
221.13315	15.5
222.13792	5.7
223.14828	15.3
225.12762	8.0
233.13181	13.6
233.15422	20.9
234.14093	8.4
235.14859	17.0
237.16512	6.7
245.13301	11.0
246.16318	5.5
247.11469	5.1
247.14706	14.4
249.16428	10.4
251.18039	16.3
253.19621	8.0
259.14767	6.9
261.12912	5.5
263.17978	15.7
264.18765	6.4
269.18942	6.8
277.19449	9.8
281.18988	9.3
289.19452	9.4
299.20279	7.0
373.25165	32.8
391.26544	33.8
502.70062	6.2
587.06989	5.7
634.41748	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	634.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.4
55.01872	4.1
55.05513	8.2
57.03444	4.6
61.02939	6.1
67.05505	7.8
68.99802	1.4
69.03432	18.5
69.07072	22.0
69.46867	3.0
69.47276	2.7
70.06609	4.1
71.05001	4.1
73.02917	2.4
77.56375	0.8
78.31712	0.9
79.05502	6.3
81.03421	8.5
81.07066	9.6
82.35294	0.8
83.01335	2.4
83.04984	11.6
83.08612	2.6
85.02906	25.3
85.06553	4.3
86.09710	1.9
87.00831	9.7
89.06026	2.8
91.03955	2.5
91.05487	7.7
93.07051	10.8
93.42576	0.8
95.01330	6.9
95.04987	4.5
95.08607	26.2
97.02903	8.9
97.06531	4.4
97.10188	6.8
99.04460	5.7
101.02376	1.6
101.06026	1.3
103.03928	2.2
103.05468	1.2
105.01869	7.3
105.07037	19.0
107.08593	12.3
108.04488	1.1
108.08149	1.2
109.02892	10.6
109.06551	4.6
109.10155	12.8
111.04421	2.9
111.08085	2.2
113.02390	1.4
113.06007	1.7
115.03968	1.3
115.05438	1.0
117.01855	2.0
117.05603	0.8
117.07030	2.7
119.03402	1.4
119.08586	44.4
120.08121	1.7
120.09394	1.8
121.06506	3.4
121.10144	22.2
123.04418	3.9
123.08065	6.9
123.11694	5.0
125.05962	4.0
125.09590	4.6
126.05521	0.9
127.03930	16.7
129.01892	1.3
131.08554	3.7
133.06497	2.5
133.08533	1.8
133.10136	70.6
134.10867	2.2
135.08083	5.6
135.11696	1.9
136.07587	1.9
137.05997	3.6
137.09634	1.9
139.03905	5.8
139.07533	1.2
141.01848	3.3
141.05507	2.2
143.03418	5.8
143.08559	1.6
145.04968	7.1
145.10146	6.3
146.11003	1.4
147.02934	1.5
147.08025	4.5
147.11694	22.8
149.05971	2.2
149.09673	1.5
151.07533	3.5
153.05476	4.6
153.09128	3.1
155.14362	4.6
156.09344	0.8
157.04955	6.1
157.10144	1.7
158.10800	0.9
159.02852	5.3
159.06537	1.8
159.11710	2.0
161.05969	1.7
161.09676	2.4
161.13248	8.9
163.07545	1.4
163.11185	1.7
165.05367	0.9
165.09106	2.1
167.07034	3.2
169.04974	1.0
173.09642	1.3
173.13268	3.7
175.07610	1.3
175.14830	100.0
176.15604	8.4
177.03961	6.8
179.07014	4.2
183.06535	7.8
185.04553	1.5
185.08182	3.9
185.13312	2.1
187.05981	1.4
187.14783	2.3
187.39639	0.9
189.09154	2.2
191.10754	1.4
193.14391	0.9
193.15880	4.0
195.10374	1.2
201.07556	1.7
203.05481	7.4
203.14365	3.1
205.15889	1.0
207.10205	1.4
209.11745	2.5
211.05980	6.7
211.09572	1.0
213.04066	1.3
213.07574	3.3
213.16093	0.8
215.05499	20.9
215.14328	2.9
217.08693	1.9
217.15982	0.9
225.11229	6.7
229.07059	21.1
231.04941	4.9
231.08574	1.5
235.09700	1.6
243.08682	7.1
245.15501	1.1
249.05966	1.4
253.10715	4.8
255.08684	2.3
257.10172	6.6
261.14899	1.0
269.10315	1.3
269.15451	1.6
271.11771	30.3
283.17487	1.5
287.16556	1.4
295.11572	1.9
305.17517	7.8
315.16177	1.8
315.19485	0.9
316.13895	1.1
323.18365	2.0
333.16876	3.6
351.18039	87.0
352.18262	1.7
381.19125	1.2
383.10077	0.8
437.30658	1.7
537.14148	1.1
634.26379	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	634.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.1
55.05512	4.8
56.05034	1.9
58.99578	2.4
60.04524	0.7
62.45890	0.7
67.05498	1.0
69.03432	1.3
69.07087	1.2
70.02940	2.3
70.06599	8.2
71.48666	1.2
72.08144	4.0
74.06070	1.2
79.05489	2.2
81.07048	2.1
83.04986	7.5
84.04502	2.3
84.08138	7.7
85.02895	1.5
86.09715	4.7
88.03996	19.8
88.04543	1.0
91.05477	3.4
93.07029	2.2
97.02892	0.9
105.07035	15.4
107.08598	8.1
108.08121	2.8
110.07154	1.0
111.02668	3.5
113.47378	0.9
119.08590	9.5
120.01173	1.1
120.08092	2.0
121.10161	3.0
122.09649	1.9
123.04432	1.4
125.04217	6.1
129.06969	1.3
129.10228	3.5
131.08591	1.5
132.08098	1.6
132.09213	0.8
133.06470	2.4
133.10103	4.6
136.07578	2.6
137.04214	18.4
137.05875	1.0
139.04709	0.8
139.05775	17.0
140.05251	1.4
145.10118	4.2
147.08023	1.7
147.11697	14.1
151.05788	2.0
159.09180	2.5
159.11708	7.1
160.12459	1.0
161.09592	4.3
161.13254	10.0
163.03966	1.3
163.05746	3.2
165.03787	1.2
165.05502	0.8
165.07310	2.2
166.06866	1.9
167.05261	2.6
167.07021	2.8
170.08186	1.3
171.11633	1.2
172.04385	1.1
174.10411	1.2
179.08823	4.5
180.08437	1.4
181.10431	7.9
183.15045	1.0
187.11159	4.6
188.11969	1.5
189.11102	1.6
189.12756	23.1
191.14304	7.0
193.10417	4.4
196.80779	0.8
200.07051	1.0
205.10532	2.2
205.14656	3.2
206.15306	0.8
208.07947	2.5
209.06265	1.3
212.07458	9.3
221.09926	11.3
223.11543	27.4
226.09026	4.7
235.07874	0.8
242.92862	0.9
247.11409	1.1
251.10846	1.8
252.10590	5.5
255.10968	0.8
256.33820	0.8
264.14267	2.2
265.11865	1.3
289.11938	1.0
292.13791	1.1
293.12094	4.8
310.14716	100.0
311.15091	1.9
618.32690	1.0
634.26086	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02401	1.2
53.03956	6.4
55.01878	4.2
55.05514	21.0
57.03444	6.1
57.07076	2.3
58.26299	1.1
59.05008	2.8
65.03944	4.9
67.05508	100.0
69.03432	37.4
69.07072	12.4
69.33466	2.5
69.33866	9.0
69.36384	1.0
71.04996	5.6
73.02900	1.1
79.05496	31.0
81.03420	25.1
81.07059	43.5
82.07388	1.1
83.04984	7.7
83.08622	11.0
84.71447	1.1
85.02928	4.4
85.06571	4.6
87.04487	1.9
91.05489	33.8
91.06029	2.2
93.07049	37.0
93.07639	1.9
95.04968	11.9
95.08615	27.5
95.73723	1.0
97.02904	5.0
97.06546	2.9
97.10171	6.8
98.21572	2.6
99.04472	4.0
99.08088	2.5
103.05479	1.7
105.07031	25.7
107.04943	4.3
107.08589	20.8
107.36046	1.2
109.02908	5.2
109.06503	5.8
109.10162	57.3
111.04456	5.5
111.08086	5.2
112.21081	1.2
115.05472	1.2
117.07014	13.9
119.08585	24.7
121.06544	3.7
121.10133	12.1
121.10814	1.1
123.04441	2.1
123.08097	4.6
123.11727	1.9
125.09639	5.6
127.03912	2.8
128.06201	3.0
129.05534	1.6
129.07005	10.0
130.07747	1.8
131.08571	18.3
133.06503	4.6
133.10126	13.9
135.08066	6.4
135.11729	8.0
137.06017	1.4
137.09590	6.4
141.07028	3.2
142.07884	1.6
143.08566	10.8
145.06493	3.1
145.10115	13.5
147.08051	4.2
147.11708	7.5
149.09657	4.6
149.13287	3.3
155.08543	5.6
155.10710	5.1
156.50531	1.3
157.06505	1.6
157.10139	8.2
159.08072	2.5
159.11668	8.8
161.09648	4.1
161.13295	3.8
163.07605	1.4
163.11159	3.0
165.12758	1.5
165.48531	1.3
167.08546	1.8
167.10703	1.4
169.10081	5.5
171.08025	1.3
171.10371	1.3
171.11674	6.4
173.09665	2.5
173.11772	13.7
173.13306	5.7
175.11284	4.0
175.14844	1.7
177.09135	1.8
177.12810	2.1
179.14420	1.4
183.11734	3.8
185.09718	2.5
185.13292	5.2
187.11241	2.3
187.14911	3.0
189.11270	3.3
189.12798	2.5
191.10599	1.3
191.14383	1.5
195.11734	3.0
197.13304	2.4
199.11156	2.0
199.14764	2.8
201.12712	1.7
209.13293	1.9
213.12891	1.4
215.14436	2.2
221.13365	1.2
223.14845	2.2
225.12827	1.6
225.16345	1.4
227.12683	2.0
229.14310	17.6
229.16245	1.7
233.15376	1.4
233.53362	1.1
241.19710	1.3
245.13750	1.5
259.20654	2.5
261.22281	1.8
271.20749	1.2
274.89883	1.2
277.21722	2.9
283.20712	1.5
289.21671	2.5
299.14706	2.4
301.21658	7.0
313.21652	1.4
315.23041	2.2
319.22369	2.9
325.21692	1.2
327.23203	3.2
331.22852	1.2
335.26041	1.2
339.23071	2.1
341.24765	3.1
341.34940	1.1
351.23215	7.1
355.17792	2.3
357.24487	2.8
369.24371	11.2
374.97577	1.4
387.25232	7.1
388.34586	1.2
405.26672	1.5
443.28146	2.2
461.28989	7.4
489.36066	1.3
597.38019	5.4
615.38220	5.5
631.02985	1.2
633.40021	39.4
634.40540	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.2
55.01868	3.5
55.05512	18.4
57.03439	4.5
57.07067	3.4
59.05011	3.3
65.03928	4.6
67.05508	100.0
69.03433	32.4
69.03725	0.7
69.07063	13.1
70.88400	3.0
71.04993	5.3
77.03937	2.0
79.05499	28.3
81.03419	21.5
81.07058	39.0
83.04999	6.3
83.08620	10.0
85.02922	4.2
85.06535	4.6
87.12514	1.4
91.05482	29.7
91.06025	2.2
93.07051	35.2
95.04964	10.9
95.08607	28.0
97.02900	5.5
97.06531	5.5
97.10172	4.8
99.04456	3.1
99.08069	2.1
101.78099	1.2
105.04507	1.7
105.07037	25.2
107.04978	3.1
107.08594	21.5
109.02881	4.8
109.06535	5.4
109.10162	50.5
111.04462	6.9
111.08103	3.5
113.06005	1.3
115.05470	2.1
117.07013	12.1
119.07849	0.8
119.08579	24.7
119.09374	2.0
121.06497	3.5
121.10148	13.2
123.04481	1.5
123.08105	3.0
123.11746	2.8
125.05937	1.7
125.09613	7.8
127.03911	3.7
128.06252	3.3
129.07005	7.8
131.08563	16.8
131.14964	1.2
133.06487	3.3
133.10132	13.3
135.08057	4.3
135.11713	8.2
135.98076	1.2
137.09604	4.8
139.11105	1.5
141.07034	1.9
142.07732	1.2
143.08556	9.3
145.06544	2.4
145.10126	14.6
147.08069	4.4
147.11687	9.9
149.09628	4.8
149.13258	5.6
151.07509	1.9
151.11159	1.2
155.08604	3.5
155.10698	3.5
157.10204	7.1
159.08087	2.6
159.11702	10.8
161.09610	3.9
161.13278	4.9
163.11215	2.5
163.14780	1.4
167.08583	3.0
169.10121	4.4
171.08032	2.3
171.11690	5.7
173.09648	2.2
173.10329	1.3
173.11757	13.9
173.13306	5.1
175.11203	4.8
175.14812	2.8
177.12772	2.9
181.10176	2.1
183.11711	3.0
185.13304	4.6
187.11253	2.5
187.14822	3.8
189.11208	3.3
189.12747	1.7
195.11749	3.0
197.09538	2.3
197.13243	3.3
199.11240	2.0
199.14838	2.5
201.12674	1.7
201.16469	1.5
211.14957	2.1
213.12770	1.6
221.15398	1.8
227.12708	2.2
229.14336	17.9
243.17641	1.3
259.20648	2.4
261.22247	2.4
273.22171	1.4
277.21622	2.3
283.20425	2.1
285.22327	1.2
289.21448	2.3
299.14847	2.6
301.21655	5.8
303.23544	1.4
313.21652	1.7
315.23312	2.5
317.24750	2.5
319.22812	2.4
327.23260	3.0
341.24701	1.6
345.24313	2.7
351.23160	5.8
354.44818	1.3
355.17447	2.7
357.24423	1.6
359.25821	1.5
369.24188	9.9
387.25180	4.2
400.68448	1.3
405.26294	1.5
443.28040	3.5
461.28961	5.7
489.35590	1.6
559.36273	2.3
597.37598	6.4
615.39124	7.6
633.39972	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	632.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.01870	1.7
55.05274	0.6
55.05520	6.1
57.03440	1.0
57.07069	1.1
59.05014	0.6
61.02926	1.0
67.05503	4.3
68.99792	0.9
69.03434	6.9
69.07069	71.2
69.28172	3.6
70.06596	2.0
71.04993	1.1
72.08164	0.5
73.02943	1.2
73.06557	1.5
76.69849	0.4
79.05489	1.2
81.03421	4.6
81.07056	6.5
83.08627	1.4
84.08153	0.6
85.02907	13.7
85.06541	0.7
86.09706	1.3
87.00838	4.9
87.04475	3.4
89.06033	76.2
91.05480	0.4
93.07051	0.8
93.74173	0.4
95.08606	5.4
97.02892	5.0
99.04454	2.3
105.01857	2.4
105.07058	0.6
107.07070	1.3
109.02889	3.9
109.10181	1.3
111.11727	17.1
116.07119	0.6
117.01866	0.8
120.08078	0.8
125.09679	0.4
127.03914	7.0
130.06563	0.5
131.07079	0.8
133.08609	39.1
136.78746	0.4
137.06004	0.6
137.13228	0.9
140.07945	0.4
145.04979	1.6
147.04163	0.4
151.09689	2.8
155.14256	0.5
159.02924	1.2
167.07086	0.6
177.11246	8.9
195.12302	1.5
199.16992	1.7
221.13884	3.2
231.04933	1.1
239.14900	34.8
243.19568	2.7
244.66194	0.4
261.20468	0.5
291.09790	0.5
305.23135	0.7
318.39185	0.4
349.25854	100.0
350.26181	1.2
367.26926	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	632.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48036	0.5
53.03939	1.9
55.01864	1.8
55.05516	4.9
57.03428	1.4
57.07056	0.8
61.02915	1.6
67.05498	2.0
68.99789	1.2
69.03436	8.1
69.07071	67.4
69.23375	4.4
69.23785	1.0
70.06583	2.7
71.04993	1.1
72.08154	0.9
73.02925	1.2
73.06570	0.8
79.05485	1.1
79.88481	0.6
81.03425	7.0
81.07049	2.5
84.08160	1.1
85.02909	15.0
86.09692	2.1
87.00831	6.3
87.04466	3.0
89.06034	66.1
91.04041	0.7
91.05451	0.9
93.07037	1.0
95.04958	0.9
95.08617	1.8
95.61481	0.6
97.02896	5.8
99.04449	3.4
105.01871	3.9
105.07022	0.7
107.04955	0.6
107.07088	2.2
107.08602	0.6
109.02889	6.3
109.10157	1.3
111.11727	14.1
120.08065	0.9
121.10124	0.7
125.09602	0.8
127.03919	8.6
129.01891	0.9
129.12767	3.2
133.08607	32.2
135.08090	0.7
136.07526	0.7
137.09659	0.6
137.13210	0.9
145.04962	2.7
151.09671	4.5
155.14377	0.9
159.02911	2.1
173.15349	1.0
177.11227	9.1
189.03940	0.7
195.12254	3.2
215.90511	0.6
217.17989	4.8
221.13873	1.6
231.05028	1.7
239.14886	19.9
239.31068	0.6
261.20566	3.5
279.21686	1.2
295.60010	0.6
305.23459	0.7
315.04950	0.9
323.24167	1.4
349.25797	7.6
367.26913	100.0
368.27054	1.7
398.30957	0.8
600.69012	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.9
55.01876	6.7
55.05516	20.3
57.07067	3.0
63.29175	2.7
63.89460	2.8
65.03959	7.7
67.05504	40.2
67.26480	3.2
68.54388	2.4
69.07066	11.0
71.48631	4.7
76.42531	2.5
79.05504	44.3
81.07060	42.2
82.09224	3.1
83.04964	5.4
83.08627	9.8
91.05493	34.4
93.03418	7.9
93.07051	39.5
95.04992	9.2
95.08603	20.4
97.06538	4.3
97.10184	12.9
105.07034	20.3
107.04962	10.0
107.08607	31.0
109.06532	2.9
109.10165	10.7
117.07043	16.5
119.08582	15.4
121.02886	7.5
121.06502	12.3
121.10157	17.1
123.08082	4.2
123.11733	3.9
125.09636	11.0
129.07025	8.3
131.08556	17.0
133.10115	10.3
133.90720	3.2
135.04431	8.8
135.08049	14.2
135.11646	14.1
137.05978	3.3
140.24840	2.6
141.07080	3.1
145.10112	23.4
147.11728	6.3
149.02362	60.2
149.05940	4.5
153.07077	3.5
153.09167	2.9
155.08560	13.1
157.10130	4.6
159.11732	5.7
163.03961	3.5
163.11118	3.8
163.14810	3.3
173.09641	22.9
173.13272	3.0
183.08087	8.7
185.09618	3.7
189.11282	9.3
191.10713	6.8
201.09085	26.6
203.18399	3.1
208.37685	2.7
211.07465	3.2
219.10126	33.1
224.90372	2.8
229.08606	22.9
237.11165	3.0
237.13771	4.3
243.10199	3.0
243.21101	3.7
247.09653	34.7
255.12360	15.2
261.11319	8.0
261.22211	13.5
265.10715	25.4
276.45352	3.0
279.12408	17.3
283.11813	10.0
297.13358	30.4
339.47348	2.7
352.16989	5.4
365.17889	6.0
366.18494	4.6
367.19089	4.0
381.20743	12.2
409.20258	3.4
439.21725	4.2
453.22827	6.8
465.18732	4.2
468.25269	40.0
475.21982	2.9
477.19202	4.7
492.21512	10.2
496.24768	4.8
498.26132	4.2
499.19785	3.9
538.22235	4.0
551.26605	6.1
552.23645	100.0
553.24719	36.3
558.21130	5.3
595.25586	16.3
613.26868	20.8
631.27246	64.7
631.38275	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	631.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.1
55.01891	1.2
55.05508	4.9
65.03957	1.5
67.05509	9.1
69.07075	2.2
69.98666	4.5
79.05502	10.3
81.07053	9.2
83.08645	2.2
83.63712	1.0
91.05483	6.4
93.03436	1.2
93.07043	11.3
95.04984	1.6
95.08620	4.6
97.10202	3.5
105.07023	5.3
107.04998	1.8
107.08592	5.0
109.06545	1.3
109.10181	2.0
112.58735	1.0
117.07074	2.1
119.08611	3.5
120.08130	1.2
121.02934	1.6
121.06541	2.3
121.10204	4.5
125.09695	2.2
131.08604	2.8
132.06046	1.0
132.07030	1.2
132.08134	1.3
133.10182	2.2
135.08099	2.9
135.11752	2.4
145.10139	5.9
147.11743	1.9
149.02332	9.0
155.08598	1.8
157.10252	1.2
159.08003	1.1
159.09282	1.6
162.41096	1.0
163.11212	1.4
173.09695	4.2
189.11307	2.7
191.10762	1.7
201.09190	4.6
209.10629	1.6
219.10196	7.8
223.12386	1.2
229.08739	4.6
237.13945	2.1
239.15479	1.6
247.09805	4.6
251.15521	1.4
255.12411	4.6
261.10995	1.5
261.22183	1.4
265.10901	3.1
279.12512	3.4
283.11884	1.4
297.13394	7.6
338.16141	1.3
347.08521	1.0
351.16422	2.6
352.17218	2.4
353.18155	1.3
354.19421	1.5
356.22598	1.0
365.17902	5.9
366.18695	3.9
367.19489	4.0
379.19437	4.0
380.20181	4.3
381.20935	10.3
393.21097	2.0
394.18073	1.2
407.18655	1.7
409.20416	4.0
410.21362	2.3
421.20364	7.0
422.21515	1.8
423.22247	2.5
437.24216	2.2
439.21637	3.0
449.19809	1.8
451.21872	2.2
452.22488	2.1
453.23010	8.9
463.21597	1.7
464.22684	1.5
465.19101	3.3
467.24750	3.2
468.25290	33.9
469.26410	1.8
475.21356	2.2
477.19485	4.6
479.24991	1.7
480.25275	1.8
492.21652	8.4
493.22601	1.5
496.24490	6.2
497.25317	1.6
498.25986	1.4
509.23288	1.5
510.26471	1.5
523.27576	1.5
524.24371	3.8
539.26538	2.3
541.28131	1.2
551.26788	6.8
552.23682	100.0
553.24487	37.1
553.33118	1.6
567.26282	3.8
569.28156	3.5
595.25586	19.3
613.26782	23.9
631.27911	55.3
631.38611	10.8
632.28394	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
66.01336	1.1
67.13889	1.3
70.39864	1.2
70.87206	1.6
70.87519	1.6
74.19820	1.4
96.93069	1.3
137.07753	1.3
149.34120	1.3
200.42799	1.2
273.47089	1.3
401.13342	1.4
469.23575	1.6
508.18832	2.7
511.24655	9.0
522.20288	5.5
533.25732	3.1
537.22662	100.0
538.23242	4.0
540.21588	1.8
555.23792	41.0
555.32336	2.3
569.24994	5.1
572.23975	2.2
581.21625	25.1
587.26300	32.9
613.24280	22.4
631.25293	69.0
632.25537	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	630.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.9
55.01856	3.6
55.05516	28.9
57.03416	2.0
57.07077	8.6
59.04725	1.8
59.05004	27.0
61.02934	1.5
67.05511	13.6
69.03429	13.9
69.06741	1.3
69.07073	17.9
70.06598	6.4
71.04984	2.7
71.08634	1.7
71.48455	2.0
72.08144	1.7
73.02932	2.1
73.06554	1.4
77.06045	10.8
79.05514	2.5
81.03419	9.2
81.07062	23.7
82.07372	1.7
83.04974	1.6
83.08622	54.6
84.08115	2.3
85.02908	27.7
86.09695	3.7
87.00829	10.0
87.04470	58.5
89.05495	1.8
89.06032	34.7
91.05474	3.2
93.07022	4.5
95.04955	1.5
95.08607	42.4
97.02882	8.9
97.06557	1.3
97.10169	14.5
99.04472	6.2
103.03947	100.0
103.07576	17.3
105.01891	7.0
105.07021	2.0
107.07068	5.1
107.08600	2.6
109.02885	8.3
109.06547	2.0
109.10165	14.6
115.21539	1.0
119.07069	1.7
119.08547	2.6
120.08099	2.2
121.04951	2.0
121.10172	2.2
123.04353	1.5
125.09606	3.3
127.03931	13.2
131.07043	3.9
133.08606	10.0
133.10146	2.3
135.07991	1.4
135.11758	1.7
136.07565	1.7
137.06004	2.2
142.20914	1.2
145.04953	2.9
147.06523	6.7
147.10092	1.5
149.09656	1.7
151.09639	10.4
151.14816	11.8
159.02892	3.5
163.09665	54.2
167.07076	1.9
173.09628	1.4
183.11653	1.3
191.09140	33.8
209.10211	98.4
227.20039	5.2
245.21088	1.4
264.83041	1.2
267.70438	1.4
301.23679	3.2
347.24277	83.1
348.24747	2.0
365.25391	17.4
412.25470	1.3
569.34088	1.4
586.32843	3.2
630.22516	1.4
630.31403	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.1
55.01870	3.1
55.05516	25.7
57.03443	1.4
57.07079	10.1
59.05008	22.3
61.02929	2.7
67.05504	4.2
69.03433	11.6
69.07074	15.0
69.90459	5.6
70.06586	4.1
71.05016	1.5
71.08631	2.6
72.08138	1.3
73.02899	1.6
75.04485	1.6
76.59589	1.0
77.06060	8.4
79.05498	2.4
81.03425	9.9
81.07052	9.1
82.06602	1.1
83.05022	1.9
83.08624	60.3
84.08126	1.4
85.02910	25.9
85.06512	1.1
86.09696	3.7
87.00828	9.9
87.04474	48.7
87.70124	1.0
89.05497	1.7
89.06036	29.7
91.05461	1.9
93.07050	2.2
95.05002	1.4
95.08621	10.9
97.02892	7.1
97.10175	19.6
98.20744	1.1
99.04454	3.4
100.11224	1.9
103.03950	72.2
103.07577	14.3
105.01874	5.0
105.07046	2.1
107.04945	2.4
107.07064	8.3
107.08585	2.6
109.02888	8.8
109.06451	1.0
109.10165	3.3
111.04427	2.0
111.08138	1.5
119.07058	1.8
119.08555	2.0
120.08072	2.3
121.04973	4.1
121.06507	2.6
121.10155	2.6
127.03934	13.5
129.01859	2.1
131.07056	6.2
133.08600	8.9
137.13258	2.0
139.14828	1.3
145.04961	5.0
147.06523	3.8
147.10121	1.8
151.09708	2.0
151.14886	1.7
152.10707	1.6
155.14304	3.9
157.15916	7.3
159.02910	4.2
163.09665	33.4
167.07062	1.6
169.13321	1.0
191.09169	15.4
199.16977	3.0
209.10202	41.6
210.14867	1.5
231.05006	1.8
233.21150	2.0
245.21143	13.2
250.85933	1.2
259.19086	3.3
263.22189	6.7
304.31598	1.1
319.24841	8.4
326.62448	1.1
347.24408	12.3
365.25372	100.0
366.25885	2.0
382.26703	1.5
544.31580	3.1
586.32916	5.4
586.41425	1.3
630.31677	14.0
650.10535	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.9
55.01856	3.6
55.05516	28.9
57.03416	2.0
57.07077	8.6
59.04725	1.8
59.05004	27.0
61.02934	1.5
67.05511	13.6
69.03429	13.9
69.06741	1.3
69.07073	17.9
70.06598	6.4
71.04984	2.7
71.08634	1.7
71.48455	2.0
72.08144	1.7
73.02932	2.1
73.06554	1.4
77.06045	10.8
79.05514	2.5
81.03419	9.2
81.07062	23.7
82.07372	1.7
83.04974	1.6
83.08622	54.6
84.08115	2.3
85.02908	27.7
86.09695	3.7
87.00829	10.0
87.04470	58.5
89.05495	1.8
89.06032	34.7
91.05474	3.2
93.07022	4.5
95.04955	1.5
95.08607	42.4
97.02882	8.9
97.06557	1.3
97.10169	14.5
99.04472	6.2
103.03947	100.0
103.07576	17.3
105.01891	7.0
105.07021	2.0
107.07068	5.1
107.08600	2.6
109.02885	8.3
109.06547	2.0
109.10165	14.6
115.21539	1.0
119.07069	1.7
119.08547	2.6
120.08099	2.2
121.04951	2.0
121.10172	2.2
123.04353	1.5
125.09606	3.3
127.03931	13.2
131.07043	3.9
133.08606	10.0
133.10146	2.3
135.07991	1.4
135.11758	1.7
136.07565	1.7
137.06004	2.2
142.20914	1.2
145.04953	2.9
147.06523	6.7
147.10092	1.5
149.09656	1.7
151.09639	10.4
151.14816	11.8
159.02892	3.5
163.09665	54.2
167.07076	1.9
173.09628	1.4
183.11653	1.3
191.09140	33.8
209.10211	98.4
227.20039	5.2
245.21088	1.4
264.83041	1.2
267.70438	1.4
301.23679	3.2
347.24277	83.1
348.24747	2.0
365.25391	17.4
412.25470	1.3
569.34088	1.4
586.32843	3.2
630.22516	1.4
630.31403	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3149
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55573	0.4
53.78932	0.4
69.03435	0.8
70.06592	0.5
70.68488	1.4
76.59475	0.4
79.05502	0.5
81.07056	0.9
91.05476	0.6
93.07046	0.6
95.08611	0.7
108.08104	0.5
119.08607	0.7
120.08121	0.8
134.06044	0.6
138.09183	1.0
146.06023	4.5
147.55884	0.5
148.07588	0.5
149.09581	0.5
190.05272	0.5
204.55542	0.5
227.11694	0.8
239.11758	0.7
271.14301	0.7
287.13965	1.4
289.05496	0.5
299.13937	4.4
333.23007	1.3
345.23077	1.0
351.23834	1.8
363.24615	1.1
381.26099	7.2
423.27133	0.5
432.19260	2.5
482.15982	0.9
497.18427	2.9
514.37158	0.5
525.30731	2.3
543.31201	7.4
556.19305	2.4
567.31934	2.7
585.32587	42.9
586.33148	1.3
611.30835	0.9
629.31482	100.0
630.31903	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	629.3868
Annotation	2,2'-dihydroxyastaxanthin
Peak:m/z	Relative Intensity
53.03945	0.3
55.05512	8.3
56.05030	0.6
57.05813	1.0
67.05508	0.2
69.03430	0.3
69.07057	0.4
70.02923	0.4
70.06584	1.3
71.49288	0.2
72.08156	97.5
73.08483	0.3
78.62175	0.2
79.05481	0.3
81.03455	0.2
81.07063	0.3
84.04499	0.3
84.08151	0.4
85.02894	0.4
86.09705	100.0
86.21295	0.2
87.10033	0.4
88.04002	0.8
91.05482	0.3
93.07022	0.2
95.19117	0.2
96.08126	0.2
98.09691	0.3
100.03982	0.3
102.05528	0.3
107.08572	0.2
110.76244	0.2
112.11241	1.0
116.03468	0.4
120.08140	0.2
127.03888	0.2
127.08681	0.8
130.04996	0.2
137.05981	0.3
138.09123	0.9
140.14378	0.6
141.10170	0.4
142.08635	1.0
144.02890	0.2
145.06107	0.2
147.11673	0.2
152.07047	0.4
154.15913	1.6
155.11833	0.3
156.10170	1.1
157.13368	2.3
167.07057	0.2
169.09708	0.3
179.04193	0.2
179.07014	0.2
181.04807	0.2
183.11293	9.2
184.09735	0.2
185.16490	4.3
187.07214	0.3
187.09061	0.2
187.10770	6.0
189.12349	3.9
199.18062	8.0
201.12344	12.4
211.10783	0.2
213.15988	5.0
215.10272	4.4
227.17543	8.7
229.11833	25.9
253.22708	0.3
255.17192	0.3
265.15405	0.5
269.18536	1.2
281.22195	0.8
282.18066	1.2
283.16483	0.6
287.05399	0.2
297.18048	2.0
300.11880	0.2
300.19147	3.2
302.17648	0.3
302.20770	3.6
310.17590	1.0
326.24365	2.1
328.18665	42.6
329.19022	0.5
338.17096	0.2
340.25891	0.5
342.20233	4.9
354.23517	0.3
356.18060	0.4
395.26657	1.0
396.24829	2.2
401.27493	0.8
409.28088	0.4
411.33047	0.3
413.27579	8.6
423.25967	0.6
437.27420	0.4
439.32996	0.3
441.27090	23.7
442.27179	0.6
451.25107	0.2
455.28665	3.9
467.08765	0.6
469.26544	0.3
481.33554	0.3
508.34952	0.2
509.33347	2.3
526.36017	4.2
536.34326	0.7
554.35486	5.3
555.36139	0.2
561.76294	0.2
629.39069	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2974
Annotation	Primary fluorescent chlorophyll catabolite
Peak:m/z	Relative Intensity
50.61740	0.7
52.54197	0.9
55.05509	2.0
57.07081	1.5
61.40694	0.9
64.22353	0.9
67.05510	4.3
69.07071	1.8
70.72928	0.8
70.73281	2.1
71.08654	1.6
79.05508	2.5
81.07061	4.3
89.06043	2.8
91.05483	2.4
93.07049	2.3
95.08611	3.9
97.13898	0.8
105.07062	2.3
107.08624	2.8
109.10139	1.6
119.08640	1.5
121.10165	1.6
123.11771	1.1
133.08652	0.9
133.10107	1.1
136.19901	0.8
137.13324	0.9
145.10110	1.3
150.20004	0.9
159.11722	1.2
177.11276	1.0
217.63577	0.8
223.12346	1.0
237.13885	1.2
275.11685	0.9
287.14972	1.0
296.15094	0.9
297.68430	0.8
314.16516	1.3
330.16296	0.9
337.15329	0.9
351.16916	1.0
352.17459	1.0
353.18149	2.0
364.17834	1.5
365.18134	1.0
366.18713	1.3
367.19385	2.3
379.15356	1.4
379.19562	2.8
391.19501	1.2
393.16983	2.3
393.21399	1.1
394.18033	2.3
395.18857	3.5
407.18738	3.1
408.19534	3.2
408.36267	0.9
409.20346	9.1
420.19867	1.1
421.20239	2.5
422.21365	1.4
423.21939	10.0
424.22693	2.4
435.22046	3.9
436.22919	1.8
437.23474	2.5
449.19308	1.7
451.21527	3.5
454.20352	2.3
461.23380	2.5
463.21405	1.0
464.22562	1.0
465.22662	1.4
467.21100	3.8
468.21982	1.0
476.23032	1.0
477.23251	1.7
478.23868	2.1
479.24652	1.5
481.22409	3.8
482.23175	4.5
483.23608	1.5
493.22699	2.9
495.23337	4.9
496.23999	1.8
508.24957	7.8
509.21997	3.3
509.25610	3.1
510.26654	5.4
511.27203	19.1
521.25262	2.2
525.28650	6.8
526.28412	2.5
537.24945	11.2
538.25848	4.6
539.22888	1.2
541.24762	3.4
542.28821	2.4
547.22900	1.2
553.28510	5.2
555.26215	1.7
569.27594	15.6
570.28656	4.1
585.30859	20.4
586.30963	1.5
597.27142	37.6
597.36810	1.8
598.27185	1.1
601.30157	2.2
611.29199	1.9
629.29755	100.0
630.29974	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81912	0.9
64.18531	1.0
67.05492	2.1
70.88269	2.1
81.07046	2.6
85.01760	0.8
91.05497	2.0
93.07042	2.0
94.79618	0.8
95.08625	2.7
101.14581	1.0
105.07018	1.6
119.08689	1.1
136.07603	1.1
185.10719	1.6
186.07907	1.6
187.12344	1.0
200.24695	1.1
201.10202	3.5
203.11703	1.2
211.12346	1.2
212.09486	1.2
213.10269	1.8
214.08763	2.1
221.10869	1.5
223.12418	0.9
227.11842	4.4
229.09703	10.7
237.13902	3.0
238.14684	3.1
239.11816	2.9
239.15428	1.5
243.70232	1.0
248.13033	1.7
249.13918	1.8
251.11978	1.8
251.15424	2.0
253.09763	1.7
255.11290	17.0
274.13419	1.5
277.15991	1.1
278.16562	1.1
281.12894	2.2
287.15665	1.1
288.11353	1.0
288.14838	1.6
301.12283	2.1
301.16833	1.5
302.12897	3.0
302.16339	1.9
303.13623	2.1
308.14267	1.1
311.13962	1.6
314.09198	1.1
314.12869	1.4
315.13699	1.9
316.14441	6.2
316.18063	2.1
317.18875	1.0
318.16125	1.7
328.10873	1.4
328.14560	1.4
329.11456	2.0
329.15427	2.1
330.12195	1.5
330.15894	6.6
331.16891	2.8
332.17548	1.8
342.12289	1.8
342.16086	1.8
343.13086	3.1
343.16885	1.7
344.14435	4.6
344.17474	5.5
345.18341	3.9
346.18997	4.9
355.14929	1.0
356.17670	1.2
357.17551	1.6
358.15463	3.4
358.18912	3.5
359.19937	1.2
361.14191	1.1
368.17255	0.9
369.17255	0.9
372.17072	9.7
373.17770	8.0
374.18665	4.3
383.18860	1.2
386.18747	1.4
387.19476	1.4
388.20108	1.4
390.18207	6.8
391.18970	3.7
395.14801	1.1
397.20203	1.3
398.18515	1.0
400.20270	2.6
404.19702	3.0
405.20407	2.8
406.19635	1.0
408.16788	1.0
409.16360	1.9
410.18088	1.8
414.18149	3.6
415.18802	13.2
416.19702	6.6
418.21252	3.3
419.22052	6.5
420.22845	5.7
425.19769	2.9
432.22867	27.5
433.23453	1.3
436.19699	1.2
437.19781	1.9
439.21460	1.8
444.22595	1.8
446.20590	1.8
447.21677	2.1
453.18997	2.1
457.22678	1.5
459.23999	4.4
468.22498	1.1
469.22699	2.7
470.24258	1.3
472.24503	1.1
478.21213	1.5
480.21582	2.1
481.22165	2.8
483.24307	1.3
485.21985	4.3
494.24115	1.0
495.16953	1.1
495.24136	5.0
497.21777	2.2
505.22617	1.2
506.21042	1.5
508.20819	1.5
510.18427	1.4
512.24255	3.0
513.17426	2.1
513.24420	1.1
523.23444	24.3
524.23645	1.8
525.21228	6.4
527.26776	6.0
538.23395	3.9
540.23383	5.1
541.27631	1.4
555.26050	100.0
556.25983	4.0
565.24805	1.3
573.27100	37.5
574.27594	1.1
579.25452	1.2
580.24170	1.7
587.24750	1.7
597.27130	92.8
598.27075	2.5
601.22754	3.0
629.22241	3.5
629.29272	3.6
629.38739	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2728
Annotation	Resiniferatoxin
Peak:m/z	Relative Intensity
51.22498	0.5
54.26339	0.5
69.22569	4.6
73.19164	0.5
89.06038	2.2
90.71555	0.5
100.02502	0.5
105.11291	0.5
127.15072	0.6
133.08611	1.4
150.54196	0.5
222.44263	0.5
230.82045	0.5
310.79434	0.5
577.72772	0.6
629.27344	100.0
630.27399	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	629.2969
Annotation	Primary fluorescent chlorophyll catabolite
Peak:m/z	Relative Intensity
55.05510	0.8
55.90492	0.6
57.85092	0.7
67.05500	2.0
70.24283	0.7
71.08620	0.9
74.20873	0.6
78.28701	0.7
79.05466	0.7
80.52462	0.5
81.07063	3.1
87.78692	0.6
91.05509	1.7
93.07037	1.4
95.08614	1.6
105.07069	1.1
119.08588	1.1
131.08585	0.7
135.11665	0.8
154.52635	0.6
223.12292	1.0
237.14035	1.0
249.14079	0.7
275.43259	0.6
328.18427	0.7
365.17911	1.0
367.19556	1.0
379.19366	1.4
392.20486	1.0
393.20798	1.7
394.21939	0.9
395.18469	0.9
407.18784	2.2
408.19458	1.8
409.20313	1.4
411.18161	1.1
412.19577	1.0
421.20340	2.8
422.21021	2.4
423.22003	4.9
425.19388	3.3
435.22089	1.8
436.22839	2.0
437.23495	7.6
438.20413	1.1
439.21558	2.0
449.18698	1.0
449.23730	2.1
453.23087	3.2
455.25204	0.8
456.22150	0.7
461.23492	1.0
463.21188	1.3
465.22992	2.8
467.24551	2.5
469.26373	0.8
475.21185	1.4
477.22876	2.3
480.26230	0.8
491.24780	1.5
493.22510	1.6
494.23157	0.8
495.24203	2.2
497.25668	2.5
508.24411	1.6
509.25488	3.2
510.26315	1.9
512.27954	1.9
513.28857	1.4
523.27478	7.5
524.28198	4.5
525.25885	1.1
526.25580	0.7
533.25671	1.8
534.26581	1.3
536.24011	0.9
538.25665	2.5
540.27283	7.1
541.28143	13.9
542.28674	1.5
551.26611	4.3
555.25793	1.2
593.27649	2.0
597.27313	0.9
611.28668	15.3
629.29761	100.0
630.30145	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	629.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.8
55.01868	8.1
55.05503	18.9
56.05836	5.2
57.03421	4.5
57.73549	3.7
67.05514	45.3
68.05818	8.4
69.07053	16.7
79.05489	48.4
80.05797	8.4
81.03465	4.0
81.07058	53.0
82.07363	11.5
83.08627	9.5
85.06531	4.1
85.26149	4.5
86.09670	3.8
88.43788	3.9
88.74584	3.9
89.05960	3.7
91.05486	25.7
92.05832	4.3
92.36237	4.1
93.07043	35.9
94.07365	11.2
95.04963	7.3
95.08608	32.2
96.08932	11.2
97.06516	6.7
105.07037	24.5
106.07347	5.4
107.08628	22.8
109.06537	6.5
109.10145	12.1
117.06987	11.3
119.08562	17.1
121.10107	20.0
123.11713	10.4
129.06969	4.6
131.08578	14.3
133.10149	8.8
134.10516	6.1
135.08070	7.7
135.11693	6.9
140.38214	3.9
142.07451	4.6
143.08521	5.1
145.10153	8.4
146.10464	4.5
147.11682	14.5
149.09619	5.7
149.13249	5.0
159.11696	15.5
171.11670	4.8
174.13734	5.5
190.53496	4.2
191.14339	4.6
209.23979	4.6
211.12474	5.0
275.20065	11.8
276.20432	13.1
278.35941	4.2
335.25766	8.5
336.26199	12.5
349.23773	5.4
365.17819	5.7
367.19107	7.4
379.19421	9.5
381.21078	5.1
391.19254	6.6
393.20792	10.1
406.21472	6.4
409.20023	9.6
410.21304	5.1
411.21939	8.5
419.18698	7.2
420.19223	7.7
421.20206	5.5
423.17484	5.8
434.20895	16.5
435.21838	8.0
438.20190	6.2
439.21344	5.3
452.22287	24.1
453.22577	12.1
465.22864	5.6
478.20032	21.0
481.21982	7.5
483.24036	8.7
490.19806	19.4
497.25497	8.4
511.23215	7.3
519.19928	5.9
523.23633	5.5
525.25122	11.2
526.25488	7.0
535.23615	5.9
536.20532	93.0
537.21246	100.0
541.28308	44.4
551.23041	11.1
553.23456	14.5
569.23804	4.9
579.22406	22.3
587.25201	31.8
597.22968	28.8
610.45410	7.2
611.45618	9.8
628.46277	12.1
629.26117	81.2
629.46844	10.3
658.00989	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	629.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	0.9
65.90504	0.8
67.05502	1.3
69.55635	3.9
71.78996	0.8
79.05486	1.0
81.07060	1.6
91.05458	0.8
93.07050	1.5
95.08617	1.6
103.03519	0.7
107.08596	0.9
119.08626	0.9
126.58138	0.7
173.24768	0.8
345.40820	0.9
410.13751	0.8
411.14505	1.8
424.15179	2.6
425.15839	5.5
426.16882	2.6
427.17343	2.3
437.16043	1.0
437.23529	0.9
438.17020	1.4
439.17880	8.8
440.18436	7.6
441.18881	3.0
442.19891	1.5
452.14230	5.7
453.15454	27.0
454.14923	4.1
454.20541	2.5
455.20856	34.3
456.21127	4.0
466.15894	4.5
467.16980	37.9
468.17596	11.0
481.18427	10.8
482.19125	63.4
483.19644	4.4
494.19644	1.1
495.20267	1.8
496.19510	1.1
509.20563	1.1
513.21338	2.0
514.21429	2.1
523.20758	1.5
524.20807	2.6
525.22400	3.5
528.23438	2.4
541.25208	2.6
542.23987	0.9
553.22107	42.0
554.21527	2.5
569.24017	89.7
570.24121	5.1
585.27820	0.9
597.22900	2.5
600.22156	2.1
601.26355	3.4
611.28418	1.0
614.22668	1.0
629.25641	100.0
630.26178	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	629.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72207	1.3
64.22654	1.3
67.05498	5.2
69.03432	1.8
69.07066	1.7
70.67023	3.7
79.05495	2.9
80.05847	1.2
81.07053	4.7
91.05472	3.0
93.07055	3.2
95.08621	3.1
98.21491	1.4
105.07026	2.9
107.08617	3.2
109.10168	1.6
119.08578	1.5
121.10154	3.0
131.08612	2.0
132.08087	1.7
145.10100	2.0
147.11736	1.6
164.10738	1.9
187.03902	8.4
188.04262	5.3
189.04486	2.2
211.12466	1.5
221.10660	2.3
222.11426	1.7
223.12407	3.3
225.13956	2.6
233.10835	1.8
237.13875	2.3
247.12335	2.2
249.13911	2.2
261.13931	2.4
263.11804	1.4
265.13190	1.6
274.13428	3.2
276.15186	1.5
279.14819	1.6
285.12729	1.7
288.11383	1.8
288.15714	1.6
290.16742	1.9
302.12912	3.8
304.14334	2.9
318.16025	5.1
330.16196	1.5
331.17239	1.7
332.17715	2.4
337.14807	1.4
338.16257	3.1
339.16171	2.5
340.18082	1.7
350.16214	2.1
351.16199	2.7
352.18024	2.1
353.17810	2.7
362.15714	1.7
364.18045	3.0
365.17862	3.9
366.19012	2.7
367.19244	4.8
376.18268	1.8
378.19897	1.8
379.19595	2.5
381.16592	1.7
381.20825	4.3
386.19223	1.9
391.19409	2.3
393.21130	2.6
394.17950	4.4
395.18585	5.0
407.18668	2.7
408.19302	2.3
409.20105	10.8
410.20847	4.5
422.17343	3.1
423.22064	9.8
424.22281	1.9
425.23602	3.0
428.23306	1.9
429.20343	6.0
437.23441	5.6
438.20959	1.5
439.21136	2.8
440.19510	2.3
447.21579	1.7
451.21130	2.1
452.21429	4.4
453.19327	1.3
453.22650	1.9
455.24344	4.1
465.22702	4.1
466.22675	2.1
467.20776	5.4
469.22128	3.6
479.24728	3.2
480.23233	1.7
481.26672	9.1
482.23141	8.2
483.24164	12.1
489.22672	2.4
493.22278	2.0
494.23059	1.8
497.25952	9.3
498.26541	8.3
507.23926	2.2
509.25592	1.5
510.22299	3.7
513.24280	2.4
523.26392	1.7
524.23224	1.7
525.25262	36.0
527.22729	1.9
535.23486	3.6
541.27399	2.5
542.25140	1.7
543.25989	6.1
553.24420	31.1
557.27356	4.4
567.25946	6.1
568.24664	2.5
569.23792	7.6
583.25342	3.2
585.27094	100.0
586.26404	2.8
587.25092	13.2
597.23407	11.7
598.12323	1.7
611.24609	4.2
629.26135	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.8
55.01862	4.1
55.05502	11.7
57.07099	3.0
59.04993	2.7
63.71464	2.2
67.05503	23.5
68.05823	3.9
68.37476	2.5
69.07056	10.5
69.20420	7.7
69.20832	16.4
79.05505	19.8
81.07062	31.3
89.06020	3.1
91.05492	17.9
92.05801	2.8
93.07042	17.7
95.04964	5.0
95.08589	13.6
96.08962	3.0
97.06513	4.4
98.20789	4.8
98.23501	2.4
105.07035	15.3
106.07396	2.9
107.04953	2.7
107.08572	11.2
109.06555	4.3
109.10148	7.0
115.37433	2.6
117.06999	3.4
119.08578	10.2
120.08060	2.7
121.10155	7.0
122.10468	3.0
123.11732	4.1
126.11671	2.5
131.08571	7.1
132.08902	2.6
133.10138	7.8
135.11736	3.1
145.10172	5.9
147.11664	6.3
149.09630	3.6
149.13274	2.8
157.10123	2.9
159.11684	4.8
169.10094	2.9
171.11703	3.2
196.11299	3.5
223.12308	3.2
224.12917	3.2
225.13858	3.1
235.12271	5.2
237.10313	3.2
237.14005	4.6
238.14536	2.8
239.15283	2.7
247.12386	5.6
249.13852	4.2
251.11845	2.6
259.12634	3.6
261.13885	13.7
262.14810	4.7
263.15402	3.0
275.20148	6.0
276.20395	4.5
277.08316	2.7
289.16956	6.9
302.16666	3.0
324.15192	3.9
325.15775	4.0
326.16495	2.5
330.55347	2.8
332.17847	2.7
350.16043	3.0
352.17746	3.5
354.19470	3.1
363.16064	2.6
364.17206	4.2
365.17706	7.6
366.19055	3.4
367.19061	6.2
370.19730	2.4
376.17117	4.0
377.17627	2.6
379.19150	11.0
380.20526	6.6
381.21161	4.4
391.19183	5.2
393.16251	3.5
393.20700	11.0
394.17719	4.8
395.18494	7.8
405.21204	3.0
407.18539	6.1
408.19290	4.3
409.20087	19.8
419.18518	6.6
420.19028	3.3
421.19833	5.7
422.21127	4.1
423.22198	24.8
433.20166	7.8
434.21381	4.2
435.22134	14.3
436.22217	5.6
437.18536	5.3
437.23325	17.2
441.35034	2.9
447.21597	8.2
448.22653	4.2
449.19205	4.2
450.23642	2.7
451.20679	8.1
451.25861	3.9
452.22144	17.2
453.23105	23.3
455.24152	7.3
461.23688	4.9
463.20834	8.1
463.25940	3.6
464.22208	3.6
465.22873	15.8
466.21155	3.1
468.21194	3.7
476.21286	4.4
477.22623	3.4
479.24106	10.7
481.21323	3.7
481.25839	12.2
482.22626	5.3
483.24002	18.2
491.24173	5.8
492.22662	4.1
493.22379	5.4
494.22861	9.0
496.24634	9.7
497.25583	7.1
498.26028	4.4
507.23672	10.3
508.23260	4.1
509.26120	30.4
510.22772	7.3
511.23172	8.5
513.28735	12.4
523.27686	22.1
524.24158	11.7
525.25665	35.8
526.24518	6.6
535.23376	15.2
536.23517	6.2
539.26215	3.6
541.28302	25.5
551.22894	4.8
553.24432	72.0
554.25256	3.7
555.22308	9.3
557.27710	38.7
567.26245	34.6
569.23993	37.3
570.24298	4.8
573.26776	4.8
585.27185	43.3
597.23444	100.0
598.23590	6.3
610.44855	3.9
628.46869	6.4
629.24951	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	629.2244
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
51.44437	0.4
55.05392	0.8
55.05616	0.7
67.05669	1.8
69.07189	0.8
69.21172	4.5
69.21614	0.8
79.05684	1.6
81.07255	1.8
83.08762	0.6
91.05101	0.9
91.05674	1.5
92.30841	0.5
93.06688	0.9
93.07232	1.3
95.08276	0.5
95.08787	0.9
98.20779	0.8
105.07218	1.1
107.08740	0.6
109.10314	0.7
115.83932	0.5
119.07963	0.4
119.08777	1.2
121.10374	0.7
132.95586	0.5
133.10330	0.8
135.11842	0.6
149.61005	0.5
335.25827	0.5
367.19669	0.9
381.21179	1.0
396.12891	0.7
397.13190	1.2
398.13910	0.9
403.22699	1.2
409.20413	1.2
410.13931	2.1
410.21118	0.5
411.14377	4.8
412.15298	2.7
413.16370	1.3
423.14975	0.8
424.11594	1.4
424.16229	1.2
425.16333	7.1
425.22424	1.0
426.16776	5.6
427.17914	1.6
428.18866	1.1
428.24744	0.5
437.16663	0.6
438.13391	2.3
438.18271	0.9
439.13403	6.8
439.96295	0.5
440.13531	0.8
440.19339	2.4
441.19318	19.7
442.19464	1.0
452.14246	3.0
453.15225	8.1
454.15863	2.4
455.17358	0.9
455.24603	1.5
456.17953	0.8
463.14215	0.9
466.12637	0.6
467.17194	18.8
468.17725	9.3
469.18768	9.3
481.14948	11.3
482.15186	3.1
483.24301	1.1
484.21185	1.4
485.22070	0.8
495.17111	2.2
496.17261	15.0
497.18192	3.2
497.25223	1.2
498.19360	0.9
498.26373	1.2
500.20746	1.2
512.20770	3.4
513.21417	2.1
514.26001	0.8
515.26538	1.9
523.19952	0.9
526.18726	0.6
528.20245	1.9
538.25775	0.6
541.20618	18.6
542.20856	1.0
554.17853	0.8
557.27661	14.7
569.20355	100.0
570.20538	5.7
573.23596	0.7
585.27539	1.1
597.20111	2.1
600.22723	0.7
601.22937	6.6
611.27557	1.1
629.22131	28.2
629.37347	1.0
630.22418	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2246
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
51.68277	0.6
57.49275	0.5
60.49595	0.5
64.85442	0.5
71.22199	0.9
71.22540	0.8
88.86289	0.5
107.52355	0.6
158.45612	0.6
183.70789	0.5
236.60318	0.5
252.72377	0.5
384.12292	0.7
396.12234	1.5
397.13138	2.9
398.13702	1.8
399.14682	1.3
400.15536	1.5
409.13272	1.1
410.13849	4.7
411.14569	8.0
412.15335	5.7
413.16205	5.2
423.14670	1.5
424.15259	3.0
425.16333	18.6
426.17047	10.4
427.17932	3.9
428.18616	4.6
429.19183	0.8
437.16800	1.3
438.12341	4.3
439.13605	24.9
440.18985	8.6
441.19354	44.6
442.19977	2.6
451.13284	0.8
452.14377	5.0
453.15356	25.6
454.15854	6.9
455.21771	0.8
456.18021	0.9
457.14865	0.8
463.14410	0.9
467.17245	30.0
468.17972	26.4
469.18814	11.0
470.15521	0.6
470.19397	0.9
471.16580	1.7
472.17346	1.6
480.17923	0.8
481.14685	13.0
482.14752	3.0
484.21869	3.4
485.17157	2.5
492.54462	0.7
495.17007	3.5
496.17123	16.1
497.17828	2.9
498.19196	1.3
499.19614	1.9
500.20694	4.8
509.18481	1.9
512.21130	3.8
513.22058	5.9
514.22028	1.1
523.19385	1.9
526.18909	0.6
527.19214	0.7
528.19952	2.0
537.17804	1.2
541.20898	47.4
542.21021	2.6
551.19183	0.7
553.21069	1.1
554.17969	0.9
569.20343	100.0
570.20361	6.5
572.19366	1.2
573.23511	3.1
597.19849	31.6
598.19720	1.1
600.22107	1.8
601.22955	15.4
602.23584	0.8
629.22321	80.0
630.22382	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	629.2249
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
67.05500	1.4
69.07075	0.5
69.35421	2.6
79.05490	1.0
81.07059	1.2
81.34811	0.3
91.05479	0.4
93.07061	1.0
95.08611	0.7
101.21741	0.3
105.07083	0.7
107.08603	0.6
109.10172	0.4
119.08552	0.5
121.10205	0.3
131.08574	0.3
133.10139	0.3
147.11751	0.4
165.12770	0.4
204.59880	0.3
249.97144	0.3
274.85712	0.3
399.15656	0.5
411.14700	0.6
412.15353	4.0
413.16150	0.9
414.18167	7.3
425.16098	0.7
426.16937	5.4
427.17630	2.1
430.16620	1.8
432.19382	2.1
439.17706	1.0
440.13828	0.5
440.18652	1.4
441.19290	14.7
442.20038	2.2
444.18118	1.4
453.15509	0.7
454.16077	0.4
455.20691	0.8
457.19037	0.6
458.15683	1.8
459.20508	1.1
463.17508	0.4
464.18118	0.4
467.17200	1.3
468.17484	1.8
469.18784	35.4
470.19775	1.7
471.16721	1.0
472.17587	1.6
473.18277	7.9
474.18695	0.7
479.20837	0.5
480.14371	1.3
481.14670	0.6
481.19690	0.6
483.12369	0.6
484.13541	1.7
485.18317	1.3
486.19022	1.3
493.15311	0.8
495.16562	4.0
496.16898	0.6
496.21613	0.9
497.18283	2.9
498.14679	2.1
499.20468	0.6
505.18759	0.7
508.17889	0.5
509.18387	5.3
509.25198	0.7
510.19113	3.3
511.16473	0.6
512.16638	0.4
513.17719	29.0
514.18506	1.1
523.19922	2.5
524.20313	1.5
525.21350	28.4
526.21588	1.1
527.19177	0.7
528.19611	1.7
536.20374	1.0
537.21399	0.6
541.20844	1.2
541.28430	0.7
542.21423	0.5
551.19257	0.6
556.18964	3.3
566.24713	0.4
569.20435	0.6
570.21387	0.5
585.23743	1.1
586.20520	2.2
597.22937	0.6
601.22998	31.7
602.23175	1.5
611.21606	0.6
629.22449	100.0
630.22662	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	629.2243
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
50.35057	0.3
69.03403	0.6
70.06566	0.5
70.73098	0.6
70.73429	0.6
72.08154	0.3
76.45628	0.3
81.02280	0.3
81.07027	0.5
82.24770	0.3
84.08076	0.3
86.09688	0.3
89.29189	0.3
91.05421	0.4
91.72908	0.3
95.08605	0.4
103.87833	0.3
107.08594	0.4
109.02830	0.4
119.08536	0.5
120.36013	0.3
131.08611	0.4
133.10100	0.4
145.25603	0.3
153.50702	0.3
189.17963	0.4
289.45255	0.3
347.76013	0.3
425.16174	0.7
438.13928	0.6
439.14133	0.7
440.18845	0.4
452.15216	0.5
453.15872	2.0
454.16653	3.3
467.12671	2.1
468.18823	0.6
469.18915	2.7
472.18469	0.3
480.14346	0.9
481.14774	6.2
482.15866	28.2
483.16315	2.4
494.15979	0.4
495.16864	2.2
496.17456	8.8
497.18265	73.5
498.18729	4.0
499.15704	0.6
500.17010	0.7
509.18811	4.5
510.19339	2.5
511.19391	1.0
514.18732	0.5
515.19391	2.4
523.18549	0.6
524.20135	4.0
525.21155	0.6
529.21808	0.4
537.18182	0.7
538.21039	1.6
540.16266	0.4
541.17194	3.0
555.18549	0.7
556.19586	100.0
557.19879	5.7
569.20398	9.7
570.20825	0.7
574.20642	1.4
587.21338	3.7
597.20728	5.3
600.18652	1.0
610.22583	0.4
614.20184	0.6
629.22485	31.0
630.22528	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	1.2
53.03948	1.9
55.01866	1.5
55.05503	1.1
59.15719	0.9
62.85026	0.8
65.03969	1.1
67.05527	1.2
69.03431	3.7
70.06608	5.5
71.05016	1.1
71.47747	1.3
72.08169	1.2
78.03455	6.4
79.05500	1.2
81.03421	6.8
81.07069	1.7
84.08118	1.1
85.02912	4.1
86.09708	3.4
91.05485	14.1
93.07034	1.3
94.04222	1.2
95.04980	3.0
95.08624	1.3
96.04486	1.5
97.02898	2.7
103.05482	2.1
105.07060	2.8
106.02926	17.4
107.04980	3.2
107.08616	1.3
109.02901	3.9
109.06551	1.8
109.10126	0.9
117.07020	1.2
119.04943	9.2
119.08577	1.3
121.06512	3.1
122.03629	4.3
122.31904	0.9
123.08080	1.0
124.03963	36.9
124.90192	0.9
127.03945	2.7
128.06212	1.6
129.07021	8.3
131.04942	4.3
133.06471	2.2
135.08083	2.7
136.05205	1.0
137.05991	63.1
138.06290	1.0
141.06961	1.3
145.06488	2.8
146.03679	1.3
147.04434	1.5
147.08058	0.9
149.05998	8.4
151.03934	3.4
151.07555	52.8
157.06502	9.3
159.08147	0.9
161.05989	10.4
161.09601	1.1
163.07579	12.5
165.07011	2.6
165.09148	3.0
167.07193	1.5
167.08617	4.6
169.06573	1.1
169.10034	1.0
174.06772	4.8
175.07549	5.3
177.09131	2.8
178.07822	1.8
179.08565	1.6
189.09119	20.6
191.07074	1.8
193.06464	2.7
193.10156	3.7
195.08073	11.2
203.08597	1.4
207.10115	5.2
209.09673	2.4
210.06787	3.4
211.07552	1.2
212.08292	1.9
219.10181	2.9
221.06047	4.2
221.09607	4.5
223.07507	5.6
224.08258	2.0
225.09175	5.9
227.07184	1.1
227.10706	17.7
237.09198	2.4
239.07007	1.1
240.07738	1.4
241.12297	1.1
249.09114	3.3
250.07187	8.7
250.09702	1.8
252.07916	1.4
253.08650	9.8
253.12239	8.5
254.09216	1.2
255.10202	16.1
256.08167	1.0
267.10159	3.0
268.08170	22.7
268.10822	1.8
269.08270	3.2
269.11771	1.7
270.08969	1.2
272.10471	2.1
281.11777	3.2
284.10489	2.2
285.11182	10.8
287.12805	21.9
293.11545	0.9
297.11243	3.5
297.14413	1.2
299.12729	1.9
311.12878	1.8
313.14377	14.3
325.14505	1.8
331.15424	100.0
332.15823	1.6
343.15454	8.4
365.66675	0.9
598.22852	41.0
610.22522	5.2
628.30066	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	627.4623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.6
55.01878	24.6
55.05269	3.5
55.05515	44.8
57.03450	16.2
57.07069	3.6
58.06598	4.0
59.04974	2.6
64.87315	2.1
65.03938	8.5
67.05510	93.3
67.64763	1.9
68.71100	1.9
68.95042	2.2
69.03434	3.9
69.07069	32.0
71.04977	8.0
71.22432	3.9
79.05498	100.0
81.03419	5.3
81.06591	4.5
81.07066	92.2
83.04991	18.2
83.08620	14.0
85.06533	5.2
91.05489	64.4
91.69073	2.0
93.07052	89.2
95.04987	11.0
95.08617	62.8
97.06548	28.5
97.10184	14.5
99.08104	3.1
103.05444	4.2
105.07043	63.9
107.04957	18.4
107.08613	60.4
109.06513	6.5
109.10175	29.1
111.08090	4.7
113.09624	2.4
115.05502	3.7
116.06207	2.4
117.07032	27.5
119.08589	42.8
121.06510	3.1
121.10149	33.4
123.08074	6.0
123.11710	15.8
125.09655	9.0
129.07008	9.5
131.08572	30.2
133.06590	2.1
133.09248	4.3
133.10150	39.5
135.08125	5.7
135.11707	18.7
137.09636	3.7
139.11185	2.2
141.06938	2.5
143.08595	13.2
145.10138	30.9
147.11690	31.5
149.09619	32.6
149.13304	6.5
155.08585	7.0
157.10126	14.8
159.11711	24.0
161.13321	15.3
163.11174	5.8
163.14832	8.0
169.10078	6.1
169.12277	3.6
171.11668	10.9
173.11877	4.4
173.13179	14.4
175.14803	3.0
179.14282	3.5
183.11688	4.9
185.13275	5.6
187.11197	2.8
187.14873	5.7
189.11256	8.3
197.13345	2.9
201.16414	5.1
209.13469	3.6
209.15463	6.8
211.14973	3.7
213.16399	3.4
219.17494	10.4
227.12848	11.1
229.19589	6.2
239.17874	5.3
243.21123	3.0
247.20630	6.3
257.19034	14.4
259.20541	4.1
261.22104	8.4
275.20078	88.8
293.21085	6.4
317.24799	3.0
335.25833	63.0
349.23724	29.9
351.25693	3.4
419.33859	2.5
515.37268	5.6
517.40277	5.1
535.41437	3.0
609.45190	70.5
627.46259	33.6
627.65839	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.8
53.95277	1.1
55.01875	11.1
55.05519	17.5
57.03207	1.0
57.03446	14.9
57.07069	2.8
58.06602	1.2
65.03937	3.5
67.05509	52.6
68.60803	1.0
69.07075	21.5
71.05011	2.6
71.40681	1.5
71.41023	1.1
76.79843	1.0
77.03870	1.6
79.05498	47.3
81.03418	2.6
81.07062	58.9
83.04974	4.0
83.08628	6.1
83.13535	1.0
85.06540	4.5
91.05486	51.9
93.07051	50.5
95.01346	3.0
95.04995	7.7
95.08611	45.5
97.06543	15.8
97.10180	3.3
98.20831	1.3
99.04448	1.7
99.08089	1.6
103.05454	1.8
105.07039	46.6
107.04974	6.8
107.08591	25.6
109.06516	5.6
109.10160	12.2
111.08094	2.4
115.05443	2.2
117.07024	19.4
119.08594	29.6
121.06549	1.9
121.10154	17.9
123.08044	2.9
123.11737	3.6
125.09590	1.4
129.07007	3.4
131.07027	1.2
131.08583	24.3
133.10139	27.5
135.08047	2.3
135.11699	12.3
137.09599	3.2
138.25668	1.2
143.08589	4.0
145.10133	15.0
147.11687	11.4
149.09659	3.1
149.13246	3.7
151.11134	1.6
151.14706	1.3
155.08455	1.5
155.51286	1.2
157.10153	3.1
159.11719	10.7
161.13261	4.4
163.11197	3.2
165.09122	2.0
169.10179	2.3
171.11678	2.2
173.13266	5.6
174.30109	1.2
175.11145	1.5
175.14827	2.7
177.12791	1.4
179.14333	4.6
182.68881	1.2
183.11661	3.1
185.13301	5.3
201.16447	5.9
203.14354	3.6
219.17455	100.0
220.17786	1.9
239.18083	1.6
257.19043	4.6
261.22195	2.3
275.20087	43.9
277.17722	1.6
293.21088	4.5
323.06952	1.5
335.25833	66.1
349.23752	15.2
537.44330	1.2
569.27209	1.3
609.45160	44.2
627.45740	3.5
636.63208	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4623
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	4.5
53.03935	7.3
54.22122	1.7
55.01875	21.7
55.05276	3.2
55.05518	39.8
57.03439	13.6
57.07068	5.6
59.29338	2.1
63.87175	1.9
65.03936	4.9
67.05509	100.0
69.03424	2.8
69.06731	3.1
69.07072	37.1
71.04989	4.6
71.39876	2.2
71.40208	2.6
79.05497	83.3
81.03411	3.7
81.07059	84.7
83.04961	7.8
83.08620	20.2
85.06554	3.7
91.05486	64.4
93.07048	74.4
95.04972	10.4
95.08615	63.4
97.06535	25.4
97.10172	16.1
105.04533	2.1
105.07045	53.9
106.42828	2.1
107.04962	13.7
107.07880	3.9
107.08597	58.5
109.06513	7.3
109.10163	32.6
111.08072	6.0
115.05444	3.4
117.07026	27.6
119.08585	45.3
121.06493	5.7
121.10147	32.0
123.08072	4.2
123.11736	11.9
125.09639	10.8
128.06187	2.6
129.07001	15.3
131.08577	35.4
133.10136	34.4
135.08113	3.7
135.11702	21.3
137.09662	3.7
141.06953	5.6
142.07819	3.3
143.08560	17.5
145.09070	2.9
145.10130	36.2
147.11707	23.6
149.09624	25.3
149.13292	13.3
151.11162	4.7
153.07161	1.9
153.12772	2.1
155.08549	7.2
156.09299	2.3
157.10123	16.8
159.11700	24.9
161.09686	3.1
161.13275	16.0
163.11188	10.1
163.14822	3.1
165.09096	2.6
165.12822	4.4
169.10144	6.9
171.11635	13.9
173.09587	2.0
173.11885	3.4
173.13220	14.4
175.14844	6.6
177.12746	4.9
179.14308	4.4
181.10100	3.3
183.11688	8.2
185.13248	11.5
187.11237	2.1
187.13318	3.0
187.14783	9.9
189.11180	9.1
195.11688	4.0
197.13255	8.6
199.14771	6.4
201.16347	4.4
209.13322	3.2
211.14839	5.3
213.16464	4.8
215.17966	4.9
223.14929	3.2
225.16310	3.3
227.12791	10.5
227.18047	3.8
229.19441	3.8
237.16258	2.6
239.17946	5.5
241.19473	3.3
243.16054	2.4
243.21141	3.2
247.20705	4.6
257.18985	8.8
259.20505	7.2
261.22214	6.6
275.20059	64.9
276.20221	2.3
277.21646	2.3
293.21075	9.3
333.24347	4.9
335.25861	45.9
344.65689	2.2
349.23721	30.5
351.25641	2.7
367.29953	5.8
385.31345	2.5
434.46570	2.0
436.57550	2.0
488.29645	2.4
505.35703	3.3
515.36975	7.3
517.40326	6.4
535.41418	8.1
553.42615	4.2
555.40662	3.4
591.43933	3.1
609.45142	65.8
610.45361	2.5
627.28418	4.1
627.46222	62.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3933
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	16.0
56.96830	1.1
67.05477	0.4
69.07053	0.4
70.00536	1.4
71.95267	2.6
72.96027	0.8
74.97572	0.6
80.32969	0.3
84.08114	0.5
84.96046	1.7
91.05442	0.6
93.07014	0.5
97.96809	1.9
98.97543	0.9
105.00128	0.5
110.96864	0.5
110.97575	7.0
115.97776	0.5
116.98633	0.3
123.01167	0.6
124.99061	0.5
128.98621	8.4
131.00084	0.5
137.02774	0.5
143.00162	1.6
146.99687	3.8
151.00644	0.4
152.00145	0.6
153.02126	0.4
161.01169	1.7
161.04785	0.7
171.03258	1.1
175.02730	0.9
179.26921	0.4
185.04788	1.0
189.00475	0.3
189.04338	1.6
195.06953	0.5
199.06444	0.4
200.94876	0.3
203.05879	0.4
205.07458	0.4
219.08884	0.4
225.07935	0.5
227.09587	0.9
239.09602	0.6
241.11095	1.4
245.08449	0.5
245.10658	0.6
249.07956	0.5
252.10258	0.5
259.12305	1.0
263.09470	2.5
264.10315	0.5
265.11176	0.7
270.11554	0.4
271.10046	0.4
277.11057	1.1
281.10663	0.6
289.10992	0.7
303.12567	2.0
313.14685	1.1
315.16315	51.7
316.16605	0.5
321.13864	0.5
324.24097	0.4
331.15979	1.9
333.17377	100.0
334.17743	2.0
349.16409	0.4
351.18451	14.2
352.19049	0.4
356.18964	10.1
357.19287	0.6
374.20148	3.5
623.37646	0.4
627.27887	1.8
627.35730	0.5
627.44611	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.3
53.19258	2.3
53.88883	2.4
55.01855	2.4
55.05506	6.4
66.38966	2.8
67.05506	22.1
69.03423	5.2
69.07060	7.3
69.60744	16.3
69.72275	2.1
70.33143	2.1
71.04986	2.0
79.05506	18.6
81.03413	9.9
81.07060	25.6
83.04971	2.8
83.08582	2.8
85.02905	2.9
91.05499	12.3
93.07056	20.9
95.04948	3.4
95.08619	16.2
97.02898	4.3
105.07038	15.1
107.08596	12.5
109.02876	4.1
109.10153	6.0
115.05437	21.5
117.06968	5.1
119.08574	8.5
121.10152	7.2
123.11690	3.9
127.03949	2.7
129.07004	4.2
131.04930	12.7
131.08583	10.8
133.06458	3.2
133.10153	8.1
135.11714	5.6
143.04913	10.4
143.08629	3.1
145.10143	9.3
147.04434	6.9
147.08060	3.3
147.11682	7.3
149.13310	3.4
155.08559	3.1
159.11758	4.4
161.13274	4.4
163.14859	3.6
171.04489	2.7
171.11743	3.2
173.13245	3.0
175.14862	2.5
187.03922	100.0
187.14833	3.9
205.04991	4.7
261.22235	6.4
277.21951	3.2
369.23953	2.8
387.25192	3.5
405.25909	4.6
423.27429	3.0
447.25165	3.4
523.23346	9.9
583.25586	13.1
609.30200	5.8
609.45294	3.3
627.46240	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	627.2818
Annotation	red chlorophyll catabolite
Peak:m/z	Relative Intensity
54.45515	0.9
65.03925	1.0
66.04890	0.8
67.05492	1.0
67.88136	0.9
70.61671	2.9
79.05500	1.5
81.07091	1.3
103.78577	0.9
104.32935	0.9
105.06948	1.2
107.64709	1.0
209.10832	1.6
211.12148	1.0
222.72861	0.9
225.13835	2.6
237.13771	1.4
239.15268	1.9
300.15033	1.0
379.18790	1.6
393.20474	2.9
403.19434	2.4
404.19748	2.5
407.22049	3.8
408.22800	3.6
412.16501	1.4
416.19894	2.6
417.20557	2.9
418.21594	2.0
420.22751	4.2
421.23856	1.4
429.20853	2.8
430.21863	2.0
431.22409	2.7
433.24451	4.8
435.21783	2.3
444.18951	3.2
445.24478	1.8
459.21716	3.3
460.22580	1.8
462.20505	3.7
463.21051	4.0
465.22583	1.2
473.23111	3.1
474.24200	3.6
475.21140	3.1
476.22205	1.4
477.22946	12.4
487.24927	4.0
489.23010	1.5
491.24490	5.4
492.25162	2.9
504.21741	1.7
505.25699	1.4
515.24353	2.1
517.22064	1.4
521.21820	3.1
531.23767	4.4
532.24030	1.1
533.25635	14.3
535.23444	11.5
536.24139	15.8
549.24811	4.3
550.25513	3.1
551.26581	1.8
555.46289	1.1
565.28204	8.4
567.25354	1.5
577.24463	15.8
580.22650	1.3
591.26111	10.4
595.25842	7.4
609.27118	100.0
610.26813	2.7
627.27844	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	627.282
Annotation	red chlorophyll catabolite
Peak:m/z	Relative Intensity
60.15035	0.3
69.25483	0.3
69.87429	0.7
69.87836	1.3
76.09177	0.3
77.27248	0.3
86.07476	0.3
93.07050	0.4
105.07063	0.4
112.64439	0.3
164.74033	0.3
197.10954	0.3
213.10251	0.3
225.10533	0.4
227.11710	0.5
237.13885	0.4
239.11920	0.5
240.12877	0.4
240.97871	0.3
251.11806	0.3
283.71219	0.3
299.14203	0.4
302.13577	0.3
311.13867	0.3
326.12946	0.4
328.14417	0.5
342.16064	0.5
354.15775	0.3
390.18384	0.5
391.19388	0.6
394.18213	0.5
404.16232	0.8
405.16754	0.7
405.21213	0.9
406.21606	1.3
407.22540	0.5
417.17148	0.6
418.18115	1.2
419.18359	2.4
420.18512	0.5
420.23355	0.9
421.20001	0.4
432.14734	0.4
432.19833	0.6
433.20383	3.3
434.21146	1.6
435.21982	0.6
436.18713	0.4
446.16934	0.4
447.17856	1.2
447.22247	1.3
448.22525	1.0
449.23514	1.0
461.19623	10.9
462.20300	3.9
463.21350	1.3
465.18848	1.8
467.24802	1.8
473.33145	0.4
475.21497	0.9
476.22113	2.2
477.23361	2.5
479.20874	1.0
480.21713	1.2
491.20761	0.5
493.22513	1.3
494.23041	3.0
495.23911	1.6
496.49719	0.4
507.23706	0.4
510.26257	0.6
519.20392	0.5
520.24951	0.4
521.22272	1.2
534.22314	2.3
535.23364	1.4
539.22650	0.6
549.25085	4.8
550.25452	0.5
551.22711	0.5
562.22229	0.6
566.24982	0.5
567.26080	9.9
568.27478	0.4
579.22467	0.8
593.27673	0.4
594.24451	2.8
595.25714	0.7
609.27112	1.9
610.26483	0.6
627.28149	100.0
628.28589	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	627.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
69.23655	4.0
69.24077	5.6
70.06586	0.9
81.07053	1.2
93.07056	1.2
94.75151	1.0
105.63326	1.1
132.97285	1.0
201.12663	0.9
214.19075	1.1
269.75320	1.0
341.60233	1.0
391.19370	1.7
392.20285	1.5
393.21024	1.3
405.17075	2.7
405.21735	1.3
407.22571	2.4
408.23163	1.3
419.18652	4.0
420.19412	1.5
421.20465	4.2
423.21820	1.8
433.20126	4.8
434.21216	4.3
435.21982	7.5
447.22116	1.5
449.19559	6.7
463.21713	3.1
464.22366	1.4
465.19016	1.7
479.20972	3.0
480.21512	1.3
481.22473	2.3
493.22821	1.7
494.23102	2.5
495.23920	3.0
507.24304	10.7
536.05865	1.1
539.23083	1.4
549.24542	1.7
567.26117	20.2
609.27618	1.2
627.28180	100.0
628.28497	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2812
Annotation	red chlorophyll catabolite
Peak:m/z	Relative Intensity
57.29203	0.5
70.78642	0.9
70.78987	0.6
75.47144	0.4
78.67076	0.3
81.07046	0.4
93.07042	0.4
98.31626	0.4
140.50719	0.4
151.02391	0.3
187.58188	0.4
192.39490	0.4
192.50519	0.5
211.12291	0.4
239.11774	0.5
301.12112	0.4
311.14166	0.6
328.14380	0.7
329.15070	0.5
330.16089	0.5
340.14407	0.4
376.16830	0.6
390.18616	1.2
391.19308	0.8
403.15298	0.4
404.16180	0.8
405.16629	0.7
405.21252	0.9
406.21661	0.8
407.22412	0.5
418.18158	1.3
419.18167	1.9
420.18906	0.6
420.23788	0.6
421.24115	0.7
429.42105	0.4
432.19843	0.8
433.20334	4.1
434.21365	1.8
435.22168	0.7
436.19162	0.5
437.19754	0.8
446.17047	0.7
447.17786	1.4
447.22208	1.3
448.22446	1.3
449.23941	0.9
451.21606	0.9
461.19583	10.0
462.20389	4.8
463.21219	1.6
465.18719	2.7
467.24387	1.3
475.21646	1.4
476.21994	2.9
477.23022	2.3
479.20883	1.4
480.21503	0.9
481.22699	0.5
490.23785	0.7
492.21393	0.5
493.21869	2.0
494.22900	4.5
495.23837	1.2
507.24359	0.9
508.25397	0.4
509.23053	0.4
510.26096	0.6
519.20544	0.8
520.24884	0.6
521.25128	0.7
533.25732	0.7
534.22626	1.8
535.23566	1.8
539.23737	0.5
549.25037	6.4
550.25287	0.6
567.26105	10.0
567.34406	0.8
579.22229	0.7
593.27112	0.6
594.24640	2.5
598.24603	0.5
609.27332	3.3
610.25464	0.6
627.28107	100.0
628.28253	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2816
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
69.83617	0.6
70.68482	1.9
81.07037	1.0
95.08615	0.8
118.72845	0.8
120.08163	0.8
123.09212	0.8
130.93921	0.7
146.05991	0.6
149.26897	0.9
157.08833	0.9
182.09683	0.8
183.09181	1.0
185.10762	1.1
197.10799	1.2
208.11324	0.9
209.10762	2.0
210.11588	2.2
211.12421	1.5
223.12416	2.0
224.13123	2.8
225.13908	4.0
226.14676	0.8
227.11923	1.5
235.12430	0.9
237.13916	3.1
238.14709	3.4
239.11813	1.5
239.15442	3.5
249.13933	0.9
251.15483	1.5
253.13416	0.8
262.13477	1.1
263.15491	0.9
264.15125	1.1
276.14969	1.2
277.15991	1.0
281.12848	0.7
287.15387	1.3
288.15164	1.0
289.12991	0.7
290.16644	2.4
292.18204	2.5
297.13123	0.7
299.13950	1.6
300.15198	0.9
302.13046	0.8
302.16766	0.8
304.14456	1.7
304.18054	2.3
305.15295	1.1
305.18750	1.3
306.15955	0.9
307.10928	1.4
314.16608	1.1
316.18304	1.0
318.16104	2.2
319.16916	1.3
320.17545	1.2
326.13266	0.8
330.16086	0.8
332.17661	2.6
334.19208	1.7
336.13425	0.8
344.17648	1.3
346.19211	1.2
347.20023	0.9
354.12344	0.8
360.21274	1.4
374.18732	1.4
375.19427	2.3
378.18411	2.1
379.19171	1.9
384.17090	1.4
389.21573	1.4
391.19382	1.3
392.19977	3.5
393.20685	4.5
403.19473	2.0
404.20303	1.3
405.20850	3.9
406.21545	3.5
407.22226	6.4
408.22946	9.9
412.16669	1.9
416.20032	1.0
417.20792	2.0
420.23093	6.2
421.23987	2.8
426.18237	0.9
430.17511	0.9
431.22986	1.5
433.24188	2.3
435.21671	1.2
444.18893	3.4
445.20285	1.3
448.19296	1.6
452.22104	2.3
459.21545	2.0
460.22678	2.3
461.18918	1.4
461.24335	1.1
462.20462	3.1
463.21085	10.5
465.23160	1.1
473.23727	1.5
474.23700	1.1
475.21521	3.9
476.20401	2.5
477.22659	5.2
480.25021	2.5
481.25888	3.0
487.25098	1.8
488.23071	0.8
489.23349	1.5
491.24588	3.9
492.25366	1.1
503.20493	1.0
504.22287	0.9
505.18793	1.1
505.25958	1.5
506.19437	1.9
507.23837	1.1
508.22742	2.1
509.25391	3.5
515.24640	1.5
516.22559	0.8
517.22504	2.2
518.23413	1.9
521.21399	1.1
531.24109	4.4
532.24042	1.1
533.18427	0.9
533.25531	13.5
534.23053	0.8
535.23456	20.4
536.23944	6.4
547.19403	1.6
549.24792	8.2
550.25378	1.7
551.26617	3.4
562.22693	1.0
565.27759	3.6
567.25616	0.9
577.24469	59.4
578.24701	1.4
579.22095	0.9
580.23615	0.7
581.27478	2.1
591.25830	6.1
595.25427	13.6
609.27081	100.0
610.27625	2.3
627.28149	12.0
627.37823	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.281
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	1.8
70.86616	1.1
70.86961	3.1
79.05484	1.7
81.07072	1.5
82.85529	1.1
91.05503	1.6
93.07055	2.4
95.08618	1.7
105.07065	1.3
186.59338	0.9
197.10793	1.5
205.69470	1.2
222.11569	1.1
223.12395	1.1
235.12260	1.8
237.13875	1.8
261.13251	1.1
318.16211	1.7
324.14987	1.5
350.16748	1.4
352.17740	2.4
353.17694	4.8
354.19476	1.9
363.15665	1.5
365.17929	2.0
366.19257	1.5
367.15210	1.4
367.19315	4.0
368.20438	1.2
378.19229	1.2
379.19440	2.3
380.20599	1.4
381.16913	2.2
381.20926	3.1
383.22482	4.0
395.18469	2.1
395.22858	1.5
397.20551	3.2
407.18631	2.5
408.19745	1.5
409.20749	2.5
410.21136	2.1
411.21988	5.3
412.22845	1.5
421.20273	2.6
422.21405	1.9
423.21866	3.9
424.22726	3.2
425.19537	6.1
437.23950	1.8
438.20731	3.9
439.21262	8.1
440.22278	4.1
441.10101	1.1
441.23163	1.2
450.20718	1.2
453.23395	3.2
454.24359	2.3
465.23346	1.1
469.22040	1.6
469.27185	1.4
470.23181	2.4
481.22351	2.0
483.24142	3.3
495.24316	1.2
496.24414	1.7
497.25378	11.8
498.26187	4.3
509.25729	2.1
511.23761	2.9
525.24854	2.9
525.98230	1.2
526.25793	2.3
541.28223	12.7
551.26813	2.0
583.29163	15.0
584.26306	10.6
585.27081	100.0
586.27161	2.5
627.28143	47.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.4
55.01856	0.3
57.03446	0.6
61.02931	0.9
68.99789	0.6
69.03085	0.2
69.03436	2.1
69.95139	0.1
69.95552	0.3
70.06606	0.6
71.04974	0.3
73.02908	0.3
81.03423	1.3
83.01358	0.2
84.08110	0.1
85.02908	6.1
86.09701	0.1
87.04470	0.2
91.03942	0.3
93.03397	0.3
95.04975	0.2
97.02898	2.2
99.04456	0.5
109.02878	0.9
111.00798	0.8
118.65492	0.1
121.02876	1.0
123.04468	0.2
127.03915	1.2
130.62189	0.1
135.04404	0.2
135.64922	0.1
137.02351	3.2
137.03419	0.2
137.05896	0.1
145.02864	0.1
145.04980	1.0
145.06117	0.1
149.02335	0.4
149.89876	0.1
153.01839	3.2
155.04855	0.1
161.05969	0.3
163.03920	0.8
165.00534	0.2
165.01849	2.1
166.02692	0.1
173.05984	0.3
179.03436	0.1
183.02885	0.5
183.04399	0.2
187.03912	0.3
191.03444	0.1
195.02959	0.2
201.05455	1.3
213.05588	0.1
219.02954	0.2
219.06474	0.3
229.04979	3.9
246.05437	0.1
247.05988	0.6
257.04456	2.6
274.04788	0.6
275.05426	0.2
285.03925	1.0
286.04691	0.1
303.04999	100.0
304.05334	0.9
315.05008	0.3
345.06030	0.3
465.10345	5.8
502.96338	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	626.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10246	0.9
52.57209	0.9
53.03943	3.2
55.01873	2.8
57.03429	1.5
61.02924	2.4
65.03951	1.4
67.05515	1.3
68.02636	0.8
69.03432	8.8
69.07076	1.7
69.39536	7.4
70.06593	6.0
71.04972	2.3
72.08133	1.1
73.02905	1.7
79.05502	2.3
80.64500	0.9
81.03426	10.5
81.07055	2.4
84.04523	1.2
84.08152	1.1
85.02437	1.7
85.02913	24.2
86.09670	1.5
87.00835	9.4
91.05476	4.9
93.07049	2.9
93.62060	0.9
94.04179	1.6
95.08623	1.9
97.02897	7.6
99.04452	3.4
103.05466	9.2
105.01882	6.2
105.07032	2.9
107.04921	1.5
107.08592	1.7
109.02885	5.8
109.06520	1.8
109.10130	1.3
111.04463	0.9
111.08063	1.2
114.89064	0.9
115.03910	1.0
115.05463	2.0
117.07027	2.9
119.04946	2.8
119.08623	1.2
121.06487	2.6
122.03666	3.5
125.09664	1.0
127.03906	9.6
128.06261	1.3
129.01881	1.3
129.07004	3.7
129.10207	1.0
131.04929	17.3
133.06477	1.0
134.06044	1.3
136.07594	1.7
137.05989	49.6
143.08551	1.9
145.04988	4.5
145.06506	2.0
146.05986	0.9
149.05946	3.6
151.03975	1.2
151.07556	20.6
153.11980	1.0
157.06488	2.1
159.02910	3.6
161.05974	7.6
162.06789	2.2
163.07553	47.3
165.07195	1.0
165.09096	1.8
167.08569	1.9
171.08078	1.2
174.06810	2.2
175.07520	6.7
177.09119	100.0
178.07808	1.1
181.06445	1.0
189.09143	6.1
190.05019	2.0
191.05469	1.0
193.08597	3.2
193.10210	1.4
195.08102	2.7
195.10187	2.9
201.09209	1.2
203.06908	1.2
203.10571	1.0
207.08139	1.1
207.10129	2.4
209.08076	3.0
218.07365	1.1
219.05081	1.7
219.10179	1.0
221.06145	1.2
221.09731	1.3
221.11720	18.7
223.07518	1.4
225.09035	1.3
227.10641	4.6
231.04877	1.8
235.07576	1.3
237.09177	1.2
239.10808	1.3
249.11290	2.7
251.10698	1.3
253.08704	2.0
253.12291	2.7
255.10075	4.7
256.11621	1.0
261.11359	1.0
265.08871	1.0
269.08267	1.2
276.59964	1.0
277.08359	1.3
281.11804	2.1
285.11429	4.1
286.12820	1.8
287.12830	7.0
291.10092	1.6
293.11670	1.6
297.11356	3.4
299.12833	4.6
311.12814	6.4
313.14401	8.5
324.10724	1.9
331.15408	40.0
335.13004	1.9
343.15509	15.1
353.13730	1.4
355.15436	2.0
365.13895	1.2
367.15723	1.5
369.17197	1.0
385.16483	1.4
397.16470	2.5
415.14969	1.2
416.15482	1.3
421.16541	3.8
439.17761	1.7
475.16858	4.0
525.17578	1.6
543.18170	3.3
561.19263	1.7
584.22046	1.4
608.23083	1.3
626.23193	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	626.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05178	1.6
53.03948	2.7
55.01867	5.4
57.03436	3.3
59.83867	1.7
61.02910	2.3
62.61650	1.5
68.99792	2.0
69.03436	15.8
69.07045	2.3
70.06590	11.3
71.04980	4.9
72.08147	3.9
73.02898	2.8
79.05457	2.3
79.98278	1.9
81.03417	12.7
81.07050	3.3
84.08117	1.9
85.02908	31.5
85.06538	3.6
86.09698	4.3
87.00833	12.4
91.05477	11.3
93.07028	3.6
94.04201	2.9
95.04971	3.8
97.02896	16.8
98.19523	1.6
99.04456	7.2
103.05482	3.5
105.01894	9.0
105.06998	4.6
107.04926	2.9
107.08533	2.5
109.02876	12.7
109.06528	2.5
115.03900	2.1
117.07064	2.4
119.04931	12.2
120.08080	6.3
121.06489	4.1
121.08390	2.4
121.10110	2.2
122.03637	4.4
123.08082	1.6
123.11703	2.2
125.05994	1.6
127.03922	16.3
129.01859	2.2
129.06973	7.2
131.04916	4.9
133.06474	2.3
135.08037	5.4
136.05170	1.8
137.05986	80.0
138.06291	3.2
141.06892	1.6
143.04956	2.4
145.04939	10.7
145.06529	2.9
147.08000	2.3
149.05977	6.7
151.03824	3.4
151.07550	59.9
157.06499	7.5
159.02876	6.8
161.06021	8.4
161.09581	3.1
163.07579	14.6
165.09094	3.4
167.08537	7.3
174.06735	6.1
175.07556	11.7
177.09123	5.7
178.07687	2.2
181.35489	1.7
187.07544	3.2
189.09125	20.5
193.06377	2.4
193.10097	2.4
195.08125	13.0
195.09924	2.7
197.05981	1.9
202.02547	2.6
207.10124	3.0
209.06064	1.8
209.07959	2.7
209.09679	1.9
211.07539	2.6
212.08394	2.0
217.04951	10.9
219.08237	2.2
219.10165	5.9
221.05951	6.4
221.09587	7.6
223.07521	5.9
224.08253	3.6
225.09090	5.6
227.07147	3.2
227.10675	21.8
228.07274	3.0
231.05005	3.7
237.09067	1.9
239.07127	3.3
240.07799	2.6
249.11346	3.6
252.07738	2.1
253.08643	9.1
253.12425	9.0
255.10205	17.6
265.08441	2.8
267.10178	4.1
269.08093	3.0
281.11646	5.1
284.10306	2.7
285.11206	13.0
287.12759	30.7
287.99106	1.8
297.11139	5.7
299.12912	7.9
309.11050	2.9
311.12753	9.7
313.14346	24.9
317.06525	8.9
318.06885	10.6
323.12708	1.9
331.15396	100.0
335.12573	2.7
337.14264	2.2
341.13779	3.6
343.15393	19.6
353.13782	4.8
355.15323	7.5
367.15326	6.8
397.16440	4.6
421.16577	10.1
439.17255	2.9
525.17181	2.9
543.19025	2.6
561.19415	2.3
626.30804	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	625.4465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.4
55.01870	9.0
55.05515	34.7
57.03424	6.3
57.07067	3.3
59.04987	2.6
65.03930	3.8
67.05508	62.1
69.03414	1.6
69.06734	1.9
69.07073	24.1
71.04974	4.9
79.05080	3.0
79.05499	35.8
81.03400	1.8
81.06591	2.9
81.07060	56.6
83.04967	3.9
83.08614	16.8
85.06537	3.6
86.09703	2.3
91.05487	40.6
93.07047	39.1
95.04984	5.1
95.08611	35.7
97.06540	10.7
97.10178	13.5
103.05455	2.2
105.07038	33.7
107.04914	2.6
107.08586	26.1
109.06509	4.1
109.10156	19.7
111.08065	3.7
115.05457	3.2
117.07013	18.4
119.08591	27.4
121.06512	2.3
121.10152	13.3
123.08115	3.6
123.11727	10.0
125.09665	11.7
128.06274	7.9
129.07008	18.5
130.07773	2.6
131.08575	24.3
133.06519	2.8
133.10141	21.1
135.08113	1.7
135.11696	6.9
141.06993	7.2
142.07774	4.4
143.08588	20.7
145.10132	25.3
147.08020	2.2
147.11696	18.5
149.09555	4.3
149.13318	2.9
153.06941	2.0
154.07803	3.7
155.08583	15.6
157.10136	23.3
159.07990	2.5
159.11703	17.3
161.09636	2.1
161.13272	5.9
163.11247	2.1
167.08583	7.1
168.09303	3.8
169.10167	18.7
170.11006	2.3
171.11705	21.4
173.13274	11.4
175.11130	2.6
175.14841	4.1
179.08559	3.3
181.10147	10.9
182.10857	2.0
183.11693	22.2
185.09624	1.7
185.13287	17.1
187.11211	1.9
187.13297	2.2
187.14819	6.0
189.11212	4.2
193.10188	3.8
195.11679	9.2
196.12436	2.0
197.13271	17.5
199.14815	9.7
201.16362	2.9
207.11732	5.5
209.13255	11.7
211.12804	1.5
211.14842	8.2
213.16484	5.9
221.13272	4.1
223.14873	6.9
225.16437	5.6
227.12776	6.3
227.18005	5.8
229.14365	2.4
237.16382	4.1
239.17949	4.4
241.19489	4.0
243.15996	4.9
247.14883	1.9
247.20647	1.7
251.18091	3.4
253.19629	3.1
257.19116	4.6
259.20596	3.5
263.18185	1.7
265.19452	2.5
267.21021	2.7
273.18460	3.1
275.20184	8.6
285.21948	2.0
293.23044	1.7
309.22150	2.0
311.23575	1.8
325.25223	2.8
333.24469	4.4
339.26816	2.3
349.24191	5.2
355.26556	2.1
365.28387	9.7
377.28381	2.6
381.31561	3.9
383.29367	4.2
389.17618	2.7
405.20718	2.7
421.31064	3.4
423.28766	1.9
433.20090	5.5
439.32098	4.5
459.22128	2.0
495.34076	2.1
501.23038	2.1
505.22052	2.3
513.35858	18.3
515.38654	8.7
533.40125	11.7
547.23578	5.1
551.41235	7.5
581.40631	3.0
589.42444	2.9
607.25757	14.2
607.43555	45.9
625.27008	57.4
625.44550	100.0
626.26453	5.1
626.44867	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49305	1.6
53.03947	6.4
53.31457	1.6
55.01861	4.2
55.05514	26.5
57.03448	1.9
57.07067	2.1
60.04647	1.6
65.03959	2.7
67.05510	50.8
69.03430	10.4
69.07076	31.1
71.04989	4.9
71.48913	1.6
79.05498	47.7
81.03427	3.9
81.07060	42.1
83.04978	3.6
83.08630	9.5
84.28622	1.9
85.06554	2.5
89.01108	1.6
91.05486	30.6
93.07052	45.9
93.07642	2.4
94.23061	1.8
95.04959	8.1
95.08611	25.9
96.29015	1.5
97.02914	10.7
97.06548	5.5
97.10179	7.7
105.04523	2.3
105.07040	19.7
107.04962	5.7
107.08600	24.7
109.10165	14.1
109.99711	1.7
111.08076	3.1
117.07003	9.4
119.08579	17.3
121.10145	17.1
123.11727	3.1
125.09653	6.4
129.07013	5.0
130.07852	1.7
131.08577	14.8
133.06516	1.9
133.10135	10.2
135.08061	3.1
135.11694	8.3
137.09682	5.0
140.45668	1.6
143.08592	6.0
144.43367	2.2
145.10132	6.8
147.08095	5.3
147.11691	5.7
149.09596	2.0
149.13287	5.6
157.10104	3.8
159.11682	5.8
161.09595	2.9
161.13280	4.6
165.09138	2.5
171.11679	3.7
177.12723	1.8
181.97356	1.9
189.11325	3.5
195.13721	2.3
199.14876	2.2
205.12225	2.7
223.13298	19.3
245.19040	2.6
261.22134	4.1
264.07443	2.1
273.18457	13.7
273.28992	1.9
291.19568	100.0
317.25403	2.1
335.26035	3.6
365.23224	2.5
535.23456	2.4
592.26959	3.7
607.26941	2.2
607.43433	2.5
612.82300	1.9
625.28503	14.8
625.44641	79.7
626.45013	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	625.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	11.9
67.05503	20.6
69.07069	12.1
69.57269	33.2
70.06593	5.0
73.27002	4.2
73.43143	4.7
79.05494	21.3
81.07069	33.0
83.08633	6.2
91.05482	26.3
93.07047	19.2
95.08609	17.6
98.20858	7.5
105.07056	24.5
107.08588	11.9
109.10104	5.5
117.07016	12.3
119.08595	20.3
121.10136	9.1
129.07007	10.2
129.99806	4.6
131.08548	27.6
133.10147	13.7
139.35150	4.3
145.06549	4.8
145.10133	11.8
147.08165	5.3
147.11658	7.0
153.64070	4.4
156.08592	4.6
157.10114	5.1
159.11705	10.2
169.10187	7.6
170.92213	4.4
171.11606	7.4
206.40068	5.3
350.41351	4.8
353.24792	8.3
371.25867	13.4
389.26865	13.7
445.29553	100.0
463.30478	25.8
509.04587	5.6
625.25812	9.0
625.44415	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	625.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82787	5.0
53.04774	5.3
55.05512	16.3
61.02916	5.4
62.85319	5.7
67.05521	31.4
67.34581	4.6
69.07044	14.6
69.58740	19.4
69.59150	16.4
79.05505	27.5
81.07050	24.4
83.08628	11.7
84.08154	8.0
91.05488	28.1
93.07063	25.2
95.08606	22.3
97.10188	11.1
98.62006	5.5
105.07031	24.2
107.08590	14.7
114.92561	5.5
117.07037	14.9
119.08574	15.1
121.10149	6.3
125.09643	6.0
128.06204	6.8
129.07045	7.0
131.08601	31.4
133.10162	13.2
135.11697	6.9
141.06984	6.5
143.08545	13.5
145.10147	20.5
146.67664	5.3
147.11661	6.4
155.08556	13.2
157.10110	6.9
159.11732	7.8
171.11693	11.0
171.98079	5.5
185.13300	5.6
231.11719	5.0
353.24667	13.6
370.52994	5.3
371.25824	16.4
389.26962	22.4
437.21460	10.8
445.29523	100.0
463.30634	46.6
625.32880	83.9
625.69745	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	625.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12685	4.9
55.05507	11.1
58.17957	4.0
67.05511	29.6
69.07071	9.0
70.00043	12.2
70.00457	6.9
70.87266	4.1
79.05505	21.9
81.07065	29.0
91.05489	26.5
93.07063	26.6
95.08591	14.2
97.06525	4.5
97.10169	6.4
98.20797	4.9
105.07026	24.2
107.08565	10.5
117.07016	14.3
119.08601	21.1
121.06550	4.0
121.10125	8.4
129.07010	11.3
131.08617	21.8
133.10143	10.8
137.70230	4.2
143.08540	8.7
145.10107	11.8
147.11700	5.5
157.10120	7.0
159.11671	5.4
169.10100	10.1
183.11562	4.9
237.13928	4.1
254.92125	4.6
273.74542	3.9
353.24713	8.8
370.06964	4.5
371.25870	14.6
389.26733	14.3
401.06708	4.8
421.31558	4.2
445.29642	100.0
463.30814	22.1
493.22278	5.1
509.21985	5.1
523.22876	5.7
583.25500	13.3
593.23450	5.2
607.24835	5.0
625.26019	59.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05735	5.1
52.34187	4.4
53.03938	5.7
55.05524	22.2
57.03436	5.9
58.24644	4.1
67.05516	36.9
69.07062	12.2
71.13498	8.1
79.05494	28.0
81.03409	9.3
81.07056	42.8
83.08614	6.7
85.98222	4.6
91.05482	39.5
93.06537	5.7
93.07057	33.9
95.04997	4.5
95.08611	29.7
97.06512	6.4
97.10149	4.9
97.20077	4.1
105.07027	37.5
107.08583	13.3
109.10168	11.4
115.05462	7.3
117.07012	16.4
119.08530	22.9
121.10157	11.9
129.07001	17.5
131.08577	26.5
133.10100	13.9
135.11713	7.1
141.07048	8.5
143.08548	15.5
145.06548	5.0
145.10097	22.1
147.11661	12.5
149.13194	4.5
151.20805	4.6
155.08545	6.7
157.10132	15.1
159.08035	6.0
159.11726	9.3
161.13237	5.8
168.06601	4.3
169.10138	9.2
171.11662	7.9
173.13263	5.3
181.10173	6.3
183.11752	6.2
185.04214	9.1
185.13248	5.0
187.03909	8.0
203.05307	11.1
207.11815	5.4
214.19490	4.6
295.12814	4.8
331.13522	10.2
353.24866	9.7
371.25879	14.7
389.26920	16.0
445.29483	88.4
463.25522	58.1
463.31342	20.4
488.53061	4.8
513.35681	5.9
515.37958	4.6
522.46033	5.1
583.25470	11.3
593.24622	6.6
607.25153	9.5
607.43549	8.6
625.31610	100.0
625.44000	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	625.359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	10.2
55.05513	21.3
57.03434	13.5
57.07053	5.1
67.05190	4.4
67.05511	71.7
67.81909	3.9
69.03432	25.6
69.07076	22.2
70.06574	4.0
70.18274	7.8
71.04990	8.5
71.42900	3.4
73.02914	3.9
77.10973	3.6
79.05493	50.3
81.03417	43.8
81.07062	100.0
83.04995	29.1
83.08615	18.3
85.02905	16.9
91.05479	37.0
92.82682	3.6
93.07055	63.4
95.04987	10.4
95.08607	29.5
96.47782	4.0
97.02894	13.4
97.06532	15.2
99.04473	4.4
103.05450	4.0
105.07047	28.1
107.04977	6.4
107.08620	28.3
109.02912	8.8
109.06532	5.8
109.10204	9.2
111.04426	11.0
111.08084	7.1
111.61970	3.7
117.07018	15.7
119.08581	13.0
121.06519	7.4
121.10155	18.4
123.08097	3.9
123.11698	6.8
127.03928	12.2
129.05478	11.8
129.07027	11.3
131.08549	25.8
133.10141	19.8
135.11690	9.7
143.08565	7.9
145.06494	6.1
145.10152	7.6
147.11707	14.6
148.11844	3.9
149.13287	19.9
157.10150	9.9
159.11694	15.5
173.04495	6.6
177.12808	7.0
195.13840	16.3
213.14816	5.3
218.02242	4.4
267.15921	7.3
269.17548	42.0
353.24722	9.1
371.25641	6.7
389.26382	4.7
401.97235	4.7
413.21844	14.3
445.29453	32.0
463.30640	63.7
583.25739	7.1
607.25323	6.0
607.34650	35.0
625.33118	21.2
628.24579	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	625.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	28.1
67.05515	34.0
67.78785	6.5
69.03423	19.2
69.07063	28.5
70.06586	28.6
70.63746	17.1
72.08154	7.1
79.05478	18.7
81.03420	16.9
81.07063	100.0
83.04992	7.5
83.08616	11.1
85.02896	24.1
85.06538	19.1
86.09722	21.2
91.05497	15.2
93.07043	46.9
95.05019	8.9
95.08621	72.6
96.10666	6.1
97.02885	8.5
97.06519	8.3
97.10166	21.9
99.04467	9.7
99.08112	12.5
101.65270	7.7
105.07035	27.4
107.08623	41.1
109.06547	11.4
109.10168	40.1
111.08099	23.5
119.08586	24.5
121.06493	7.0
121.10151	33.2
123.08080	11.9
123.11710	39.4
125.09637	11.5
127.03938	13.6
131.04938	16.7
133.10161	9.9
135.11650	23.0
137.13271	16.1
139.11179	16.6
145.10146	11.4
147.11729	11.6
149.09464	10.8
149.13246	42.2
152.18987	6.9
153.12769	8.0
157.12267	15.9
163.14919	10.4
165.09140	6.9
169.12320	7.2
223.16879	7.4
227.07025	64.9
237.18501	9.6
305.24792	60.2
323.25854	40.1
341.26868	12.0
376.77277	7.8
431.07700	18.8
505.11569	8.7
551.11676	12.3
581.29126	9.4
625.28546	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	625.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77103	10.7
53.42995	11.9
55.05510	19.2
57.11729	9.5
59.13108	8.7
63.81555	9.3
67.05495	29.0
69.03422	23.7
69.07064	31.9
69.18554	29.4
69.18954	64.0
70.06577	16.0
81.03422	18.2
81.07065	100.0
83.08621	17.6
85.02904	18.8
85.06512	18.2
85.90214	10.2
86.09676	19.3
91.05489	15.2
93.07071	47.5
95.04977	14.6
95.08591	63.2
97.10169	18.9
105.07044	21.6
107.08607	34.5
109.06490	13.0
109.10153	39.6
111.08122	19.2
119.08538	15.3
121.06519	10.5
121.10147	30.6
123.11710	45.2
127.03917	11.8
128.68573	11.1
131.08589	14.1
135.11696	19.2
137.13300	18.2
139.11218	11.2
147.11693	12.5
149.13260	35.7
163.14850	13.1
204.72295	9.2
237.18474	12.7
257.13327	11.6
259.09680	12.1
285.12521	11.2
305.24643	55.5
319.12640	9.7
323.25827	36.6
422.68268	12.0
625.26691	40.5
625.37341	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01131	4.4
55.01888	7.2
55.05521	32.9
57.03439	7.1
57.07080	7.6
62.24082	4.6
67.05510	29.9
68.76451	4.4
69.03416	16.0
69.07073	33.7
69.93548	10.9
69.93961	14.0
70.06593	15.6
71.05007	6.1
72.08167	7.1
75.62260	4.2
79.05500	23.3
81.03400	9.5
81.07067	100.0
83.08627	11.4
85.02922	23.3
85.06558	20.1
86.09708	11.1
87.00819	7.2
88.63797	4.3
91.05486	17.6
93.07055	44.9
95.05003	6.2
95.08620	67.9
96.08965	6.1
97.02895	13.7
97.06541	10.7
97.10175	45.2
99.04464	8.4
105.01884	5.3
105.07043	20.9
107.08600	59.7
109.02888	14.8
109.06535	4.7
109.10167	37.5
111.08086	23.2
111.73595	4.3
119.08579	17.8
121.10166	35.1
123.07996	6.3
123.11715	33.7
125.09629	22.4
127.03880	10.9
131.08595	7.6
131.17819	4.2
133.10179	14.0
135.11697	20.5
137.13240	13.5
139.11113	8.2
143.10690	17.6
145.10161	9.3
147.11674	11.4
149.13281	46.1
159.11699	11.2
161.13266	10.6
163.11151	6.6
163.14841	14.0
167.07091	5.6
167.14409	4.9
173.13190	5.6
175.14897	5.3
191.14343	6.2
201.16336	9.2
203.12750	6.4
209.15387	9.8
217.16147	5.7
219.17416	9.0
227.07010	6.9
235.16626	5.5
237.18550	32.9
245.07977	7.7
287.23792	9.6
305.24811	58.1
311.25616	4.9
314.50732	5.1
323.25839	61.0
329.11176	5.2
341.26907	17.7
376.05444	5.3
431.11707	5.4
607.26617	4.8
612.28088	4.7
625.27191	23.6
625.38690	9.6
643.54175	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	625.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.5
53.05631	2.4
55.01863	2.4
55.05511	13.4
57.03436	2.2
57.07066	2.6
58.65623	2.0
65.03915	2.4
67.05508	18.1
69.03432	9.6
69.07076	14.7
69.35192	6.9
69.35616	13.2
70.06599	11.2
71.04997	5.6
79.05490	10.0
81.03380	3.5
81.07059	87.3
81.07537	5.2
83.08625	5.5
84.08153	3.8
85.02899	9.3
85.06543	6.0
86.09705	6.2
87.00815	3.1
91.05465	7.3
93.07038	19.7
95.04976	2.4
95.08614	48.5
97.02885	5.8
97.06532	11.3
97.10201	11.0
99.08089	7.9
105.01870	2.9
105.06999	11.9
107.08601	28.1
109.02834	3.5
109.06516	3.3
109.10162	29.4
111.04412	2.8
111.08101	11.5
119.08594	10.2
121.10152	25.8
123.04425	2.7
123.08115	4.2
123.11749	12.8
125.09625	9.1
127.03916	7.7
129.06998	2.3
133.10132	6.3
135.08009	3.7
135.11673	9.7
137.06018	3.4
139.11285	2.7
141.09064	3.3
145.10150	7.9
147.11650	5.2
149.09631	4.9
149.13252	7.7
151.11229	3.3
157.53447	2.4
159.11690	6.3
161.13290	6.2
163.11198	2.8
163.14879	10.7
191.17961	6.0
201.16386	12.9
209.18941	5.4
219.17480	26.0
237.18513	100.0
255.19534	13.8
289.05188	4.0
293.24509	2.6
305.24728	9.9
316.04947	2.3
323.25742	7.8
325.33664	2.8
341.26804	2.5
359.21860	4.6
422.20731	6.4
450.20178	8.2
451.20816	9.8
581.28619	10.1
607.26984	4.7
625.27502	27.8
625.37189	7.8
628.77014	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76271	1.0
61.85880	1.2
71.48644	1.8
75.04469	3.5
79.47962	0.9
81.24364	1.2
106.00246	0.9
107.08600	1.3
108.90898	0.9
141.65076	1.1
148.19591	1.2
212.88362	1.0
213.67430	1.1
266.84344	1.0
359.93301	1.0
374.13284	1.1
405.16962	1.5
407.22571	1.8
417.17328	1.2
419.18863	2.2
421.20261	1.8
433.16504	3.0
434.17178	2.8
435.17288	4.7
447.22009	3.5
448.18625	2.8
449.19073	6.3
461.19717	1.2
463.21182	34.9
475.21399	16.7
476.22070	2.1
477.23035	3.5
490.23560	7.8
491.20721	8.0
501.22961	2.4
519.24066	2.7
522.25989	2.8
551.26630	19.9
578.25275	9.2
593.27667	10.6
625.30231	100.0
626.30371	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	625.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17411	0.7
57.76428	0.7
64.81324	0.6
66.31484	0.7
67.05505	2.2
70.37324	0.6
71.38939	0.7
71.49079	0.7
79.05500	1.7
79.82125	0.7
81.07063	1.4
91.05473	1.8
93.07038	1.0
95.08591	1.6
103.86510	0.7
104.34034	0.7
104.70132	0.7
105.07043	1.0
117.07098	0.9
131.08557	0.7
133.10107	0.7
169.10341	0.7
203.05264	2.4
225.10335	1.0
251.11905	0.9
314.12686	1.0
315.13635	0.7
391.15134	0.9
393.16855	1.3
403.80582	0.9
405.16846	1.7
406.17905	1.5
407.18610	3.0
419.18973	1.6
420.15366	0.9
421.20605	5.6
422.20816	1.5
432.19876	0.9
433.16196	1.4
434.16864	1.4
435.17529	4.8
436.22543	2.7
445.25287	22.4
448.19183	3.6
449.19818	12.0
450.20496	3.5
459.18051	1.3
460.18530	0.9
461.19962	1.2
463.20978	6.0
463.26724	10.8
464.22104	6.8
474.20435	1.1
475.21240	2.1
477.19012	9.0
478.20236	3.6
479.20618	2.0
481.22202	1.2
491.20654	1.6
492.21509	2.1
495.24216	0.9
519.20044	2.1
521.22083	3.7
522.22229	1.2
523.23914	3.6
533.21948	1.1
536.24158	1.5
537.24683	3.3
538.22223	1.1
547.23346	4.1
549.20673	1.0
550.22144	5.3
551.22998	4.2
553.23914	1.0
564.23499	1.3
565.24548	7.2
567.22998	1.3
581.24054	4.9
582.24341	2.5
583.25293	1.2
593.23676	1.7
596.25623	1.3
597.26825	1.5
607.25128	3.1
610.24182	8.3
625.26367	100.0
625.32202	30.9
626.25580	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	625.302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.6
58.50643	0.5
67.05514	2.1
69.07069	0.9
71.48664	1.0
73.35458	0.4
78.05256	0.5
79.05509	1.8
81.07072	1.8
82.64019	0.5
90.65490	0.6
91.05510	1.6
93.07055	0.7
95.08599	1.7
97.06549	0.5
105.07058	0.9
109.06567	0.5
109.10221	0.5
119.08582	0.9
128.81206	0.6
129.06953	0.7
131.08659	0.8
133.10204	1.1
136.81967	0.6
145.10158	0.8
147.11765	0.8
161.43054	0.5
172.46889	0.5
185.13403	0.6
209.10806	0.6
223.12360	1.1
237.14005	0.7
276.64279	0.5
355.13715	0.5
379.15472	1.1
391.19379	0.7
392.20007	0.6
403.19452	0.8
405.16580	0.7
405.21036	1.5
406.21716	1.3
407.18213	0.6
407.22815	0.8
418.17914	1.6
419.18860	2.1
420.23526	3.1
421.24509	0.8
423.22293	0.8
432.19754	1.9
433.19955	4.4
434.21039	1.6
435.18411	1.0
437.23853	1.3
446.21426	0.9
447.21701	4.6
448.22653	1.6
449.19724	3.2
450.16281	3.0
451.25513	2.6
463.20758	3.2
464.21866	2.7
465.22931	2.9
471.21960	0.8
475.20758	0.7
477.22913	3.1
478.23801	7.8
479.24869	8.9
491.24646	2.1
505.26401	1.2
509.22186	0.7
519.24402	1.3
523.23120	3.0
534.26385	1.2
535.26221	0.8
536.20520	1.3
537.25726	1.6
547.23450	1.5
551.25488	0.7
565.28625	23.9
566.25635	0.6
575.23419	1.0
593.27069	1.9
607.25757	5.0
625.30322	100.0
626.30945	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.1
57.03425	1.2
60.30671	0.9
67.05509	6.2
69.07065	2.8
69.14879	3.0
69.15298	7.8
79.05492	4.2
81.07072	6.9
83.08618	1.0
91.05487	3.8
93.07055	2.9
95.04990	1.2
95.08625	4.4
98.21559	2.2
101.82501	0.8
103.53055	1.0
105.07026	3.1
107.04987	1.0
107.08607	2.3
109.06538	2.1
109.10143	1.2
117.07053	1.1
119.08637	2.2
123.11702	0.9
131.08539	1.7
133.10159	1.7
140.48996	1.0
143.08609	1.6
145.10129	2.7
149.85866	0.9
157.10115	1.2
159.11661	2.0
161.13159	1.2
171.11748	1.5
197.13318	1.1
223.12120	1.2
237.14055	1.4
269.82004	1.0
273.18719	1.1
275.20264	1.0
335.26096	1.3
391.18790	1.1
401.17871	1.5
403.19580	2.8
404.20126	2.2
405.21124	1.2
415.19458	1.4
417.21161	1.5
419.22540	1.8
421.23810	2.5
425.17883	1.1
431.18515	2.9
433.24002	2.3
446.20941	1.8
447.21924	2.7
459.22205	3.1
461.19714	2.6
462.20667	2.4
473.19202	2.5
474.19550	4.4
475.20959	9.6
476.22415	1.3
477.23145	2.7
478.20358	1.2
479.21231	1.5
483.21585	3.8
486.20700	2.6
487.21490	9.3
488.22137	2.1
489.22989	2.0
501.23044	12.0
502.19086	8.5
503.20428	6.6
513.22656	2.5
514.19702	1.5
516.21100	1.3
519.24054	4.7
529.22461	10.1
531.24042	1.3
537.25800	1.7
539.20770	1.5
547.23334	17.2
548.24152	2.0
549.25299	1.5
557.21252	2.2
565.25079	3.0
566.25281	1.9
575.22906	11.3
589.24402	15.6
607.25562	80.2
607.42139	2.8
608.25800	1.2
625.26648	100.0
625.44379	6.8
626.26843	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	625.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.4
57.43671	0.8
58.86616	0.9
64.52989	1.0
67.05507	2.4
69.07077	1.0
69.77466	3.7
79.05499	2.2
81.07059	3.4
91.05481	2.8
93.07068	2.2
95.08595	1.2
105.07002	1.7
107.08603	2.1
114.11998	1.0
129.06981	1.9
131.08623	1.2
133.10155	1.7
143.08664	0.9
145.10158	1.6
146.09654	1.1
148.38887	0.8
156.08162	1.1
157.10199	1.2
164.10719	7.1
169.10146	1.2
171.11703	1.2
183.11656	1.3
199.49821	1.1
207.09291	1.0
222.11687	1.1
223.12337	2.6
224.13133	1.4
225.13892	1.7
237.13969	3.5
238.14673	5.4
239.15424	1.3
247.12344	2.2
248.11859	1.4
251.15456	1.8
262.13470	1.2
264.15073	2.2
273.12784	1.0
274.13583	1.9
275.11899	1.5
276.15201	1.3
278.16776	1.1
286.13687	1.4
292.14594	1.8
300.15109	1.1
302.13187	1.0
302.16724	1.5
307.17139	1.2
314.12933	1.6
315.14026	1.1
348.15170	0.9
355.09650	1.4
364.18201	1.2
366.20374	0.9
370.11874	1.3
388.17636	1.2
389.18112	2.2
391.19604	2.0
403.19492	1.7
405.21021	2.9
414.10959	7.4
415.11426	1.3
415.19275	1.4
416.20602	1.8
417.21161	1.8
431.18814	3.2
432.17191	1.6
435.22321	1.1
443.19241	1.1
445.20233	2.7
446.13623	2.7
446.21002	2.1
447.22339	1.5
449.19934	2.7
457.17551	0.9
458.21298	1.6
459.22653	1.6
460.22607	2.0
461.23947	1.4
462.16843	4.1
463.21283	1.9
464.21939	1.1
473.23785	13.3
474.20352	1.6
475.20804	1.4
475.26181	1.3
476.22849	1.1
479.24658	5.2
485.23676	1.2
486.20944	1.3
487.21460	2.0
488.22372	2.2
489.22318	1.1
490.20737	1.4
491.20755	2.8
501.23175	7.4
502.20352	1.2
503.24905	6.8
507.17090	1.7
507.24008	16.1
509.20200	1.1
513.23260	1.2
515.20825	2.1
516.21460	1.1
518.18066	1.1
519.23834	3.1
520.24561	1.3
531.24091	7.8
532.22369	2.5
533.21613	3.1
535.19708	1.8
540.21313	1.2
547.23279	3.4
548.23859	3.7
549.24695	3.1
550.21942	3.5
551.22968	1.8
557.22101	3.7
558.20258	2.0
563.19501	1.2
565.23700	2.5
575.22931	30.9
576.21472	6.8
577.20941	1.3
579.22040	1.6
580.21356	1.4
589.24335	2.4
593.24011	26.8
597.23602	1.3
607.25592	100.0
608.24835	9.7
625.26636	96.2
625.44299	4.7
626.26868	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99638	0.7
66.07327	0.5
69.27875	3.2
69.28302	2.8
71.56834	0.6
73.98593	0.6
78.29701	0.7
79.05473	0.6
93.59467	0.6
98.20798	1.1
146.78467	0.6
171.74559	0.7
203.05231	0.7
204.06458	1.1
225.09929	0.7
283.10400	0.7
283.77661	0.8
300.14874	0.9
391.15533	1.1
392.15515	1.1
393.16412	0.8
407.18265	2.7
419.14438	1.1
420.15149	1.5
421.20688	4.4
422.20908	1.4
431.18375	1.0
433.20828	0.9
434.16968	2.2
435.17279	3.6
436.22397	1.8
445.25449	6.9
447.21838	0.9
448.18460	1.9
449.19757	7.8
450.20297	1.7
459.17902	1.1
461.19592	1.2
463.21796	5.0
463.26508	4.2
464.22229	4.3
465.22406	1.7
475.20944	1.1
477.18802	6.9
478.19440	2.0
479.20459	1.2
491.20453	1.8
491.41965	0.7
492.20813	1.1
493.22058	0.8
507.19357	1.2
509.21536	1.1
521.21106	2.5
522.22101	1.5
523.22894	2.0
536.23230	1.1
537.24493	1.9
547.23291	3.1
549.20331	0.8
550.22021	3.1
551.23340	3.5
565.24756	4.5
581.24152	3.6
582.23981	1.6
583.24451	1.4
593.23407	1.0
607.24451	2.7
610.24225	7.9
625.25739	100.0
626.26251	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	625.266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76873	0.4
68.94603	0.5
69.07081	0.5
69.98933	1.2
69.99342	0.9
76.92441	0.4
79.05487	0.8
80.82186	0.4
81.07079	0.6
91.05505	0.8
99.86591	0.4
164.10715	1.8
199.15047	0.4
221.10806	0.7
223.12268	1.0
237.13850	0.6
238.14659	0.9
251.08249	0.6
256.09735	0.5
264.14932	0.5
271.10886	0.7
314.12955	0.6
326.13220	0.5
330.15979	0.6
342.12424	0.7
344.14117	0.8
389.18231	0.8
391.15186	0.8
393.16922	0.9
405.17245	1.0
406.17914	1.4
407.18369	1.0
414.10928	1.6
419.14471	1.1
419.19199	1.2
420.20053	1.0
421.20450	3.0
422.21039	1.3
430.18701	0.6
431.18878	0.6
433.20734	1.2
434.17551	0.6
435.17200	2.2
436.23062	1.1
446.13138	0.7
446.21765	0.5
447.22382	1.0
448.19009	2.1
449.19678	7.6
450.20374	2.0
459.17496	0.7
462.16583	0.7
463.21857	4.1
464.22229	4.0
473.23529	1.5
475.21216	0.9
476.17554	0.7
477.18811	4.5
478.20163	1.4
479.20444	0.8
491.20532	0.9
492.21603	0.5
493.22400	1.1
495.23941	0.8
501.22998	1.0
503.24594	0.7
505.22549	1.2
506.22580	0.5
507.23611	2.0
509.21918	1.3
519.19659	1.2
521.21753	1.6
522.22565	0.8
523.23474	2.6
531.23798	1.0
532.21417	1.0
533.22375	0.7
535.19330	0.6
537.24677	0.8
547.23468	3.7
548.22198	0.7
549.25037	0.8
550.21753	3.1
551.22681	2.7
556.24652	0.5
565.24744	5.2
567.22717	0.5
575.22906	5.0
576.21460	2.3
579.22986	0.9
581.23871	2.2
582.24615	1.3
583.25519	1.4
589.24567	0.5
593.24109	7.4
607.25531	19.1
608.24310	2.9
610.24182	5.4
625.26569	100.0
626.27124	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	625.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
67.21719	0.6
69.81270	1.6
69.81673	1.3
81.07039	0.8
85.49805	0.6
87.06327	0.5
109.06533	0.5
109.10141	0.9
110.95621	0.5
140.79759	0.4
184.10031	0.5
197.60838	0.5
209.84215	0.6
221.10677	0.6
222.11705	0.8
223.12378	0.6
237.14061	0.8
264.42935	0.6
281.12909	0.6
314.16644	0.6
323.15753	0.6
325.16104	0.7
326.16629	0.9
327.17102	0.6
373.18320	0.6
376.17142	0.8
377.17786	2.0
378.18686	1.5
380.21356	0.6
389.18179	2.1
390.18402	2.6
391.19205	5.3
392.19968	3.9
393.20972	0.6
403.19452	1.3
404.20215	1.7
405.20755	12.4
406.21503	3.7
407.22311	7.9
408.23132	0.7
417.21149	0.9
418.21881	1.0
419.17700	0.6
419.22418	5.6
420.23267	4.0
421.17258	0.9
421.23920	9.7
422.17117	1.1
431.18530	0.7
433.24826	2.5
434.24591	3.4
435.18024	3.3
435.26056	0.6
436.18994	2.0
437.19904	0.6
445.20526	1.6
446.20718	0.6
447.21606	1.5
449.19678	2.3
450.20236	1.2
451.21335	23.1
452.22046	5.8
461.23700	1.1
463.21555	2.5
464.22079	2.9
465.22870	20.0
466.23578	4.3
473.19739	1.1
475.24719	2.2
477.22458	0.8
478.23544	1.9
479.24277	3.3
486.21378	0.6
487.21231	1.7
488.22055	1.5
491.20749	2.2
492.21881	2.0
493.26031	15.9
494.26495	1.9
501.22653	1.2
503.24420	10.5
504.24356	1.3
505.22522	1.1
509.21875	4.2
521.25574	8.8
523.23444	10.6
524.23785	0.7
537.25122	7.1
538.25757	23.1
539.26141	0.9
547.23419	3.6
565.24475	13.7
566.25299	4.3
581.27576	7.2
607.25592	8.7
625.26556	100.0
626.26910	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	625.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03922	0.4
53.03940	1.0
55.01874	1.1
55.05512	2.3
57.03441	2.9
57.07072	0.4
61.02950	0.8
61.56529	0.3
65.35291	0.3
65.61422	0.3
67.05506	1.8
67.76903	0.4
68.99791	1.7
69.03426	5.4
69.07078	2.0
69.17844	1.5
69.18276	2.0
70.06592	1.4
71.01363	0.5
71.04999	9.8
72.08141	0.5
73.02917	1.2
75.04458	0.9
79.05495	2.0
81.03425	5.0
81.07055	6.2
83.04993	3.9
83.08627	0.6
84.08174	0.5
85.02908	25.1
85.06578	0.8
86.09708	0.7
87.00833	4.3
87.04454	0.6
91.05472	2.1
93.07047	1.4
95.04989	1.8
95.08620	3.9
97.02893	3.5
97.06497	0.9
97.10178	1.0
99.04462	2.2
99.08061	0.6
101.06034	0.6
103.03969	1.0
103.05464	2.8
105.01875	3.6
105.07028	1.5
107.04964	1.2
107.08588	1.8
109.02888	5.2
109.06445	0.6
109.10156	2.1
111.04455	3.6
111.08084	1.0
117.01807	0.4
119.04948	2.0
119.08590	1.0
120.08109	0.5
121.06522	0.4
121.09365	0.5
121.10127	1.8
123.04430	0.9
123.08044	0.4
123.11747	1.8
125.02399	0.4
125.09634	0.8
127.03923	9.3
129.01823	0.9
129.05487	4.5
131.04959	0.7
131.08539	0.4
131.24182	0.4
133.06511	0.5
133.10127	0.5
135.08049	0.6
135.11736	0.9
137.05911	0.5
137.09572	0.4
141.09033	0.4
145.04961	3.1
145.10124	0.6
147.02893	1.1
147.04417	2.6
147.06512	1.2
148.05135	0.5
149.13304	1.0
151.03929	0.6
151.11227	0.4
159.02901	1.9
159.11742	0.8
161.05962	0.4
161.09605	0.4
163.03906	0.9
163.11191	0.4
163.14798	0.8
165.05547	0.6
167.07057	0.4
169.04984	0.5
173.04526	0.8
173.13266	0.4
175.03915	52.4
176.04668	2.7
177.05508	0.9
177.09109	0.5
181.04926	0.8
187.03865	0.9
189.03987	1.4
189.05519	0.7
191.07083	0.5
193.04936	0.5
201.16357	0.6
213.03946	1.1
219.17430	1.0
227.07094	0.5
231.05426	2.9
231.10170	100.0
232.10506	1.1
237.07584	0.9
237.18507	3.7
241.08672	0.4
243.10239	0.5
249.05998	0.4
255.08507	0.8
255.19604	0.6
273.11224	0.6
293.24323	0.4
304.23749	0.5
305.24716	0.5
323.25714	0.9
359.09955	0.5
479.15427	2.0
581.28815	0.8
607.26227	0.6
625.27563	2.6
625.38043	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94301	0.3
53.03948	0.3
55.01869	0.4
55.05512	0.6
67.05502	0.8
68.99789	0.6
69.03418	1.2
69.07072	0.5
70.06602	1.7
71.04981	0.5
71.25806	0.2
71.28365	0.5
72.08152	0.4
79.05492	0.4
81.03398	0.7
81.07047	2.0
84.04482	0.3
84.08118	0.6
85.02912	1.9
85.06560	0.5
86.09695	0.9
87.00816	0.3
91.05481	1.0
93.07040	1.0
95.04964	0.3
95.08596	1.2
97.02922	0.7
97.06523	0.3
100.11280	0.3
103.05492	0.3
105.07018	0.9
107.04916	0.3
107.08590	1.2
109.02878	0.5
109.06531	0.5
109.10147	0.9
111.08106	0.4
113.02358	1.0
115.05452	0.7
119.04977	0.3
119.08572	0.8
120.08096	0.4
121.10153	0.5
125.09640	0.7
126.10760	0.3
127.03921	0.9
128.06201	2.8
129.06989	1.0
131.04944	1.0
131.08565	0.6
133.10020	0.3
135.11681	0.5
137.05939	0.5
141.06950	0.5
143.08568	5.0
145.04868	0.3
145.06552	0.4
145.10115	0.5
147.04419	0.7
147.11778	0.4
153.06993	1.6
155.08539	1.4
156.05737	0.4
157.06430	0.6
159.04414	1.8
159.08025	1.1
161.09636	0.3
161.13229	0.4
167.07068	0.6
171.04411	2.3
171.08025	3.6
181.05014	0.4
181.06471	0.7
184.05234	2.3
185.05934	1.3
187.03981	0.6
199.02078	0.4
199.03925	10.0
199.07545	12.0
212.04727	3.6
227.07039	100.0
228.07408	1.2
231.07950	0.3
235.07588	0.3
246.62698	0.3
303.10190	0.3
304.11081	0.4
305.12021	0.3
305.24707	0.3
315.10275	0.4
317.06543	1.5
323.25714	0.6
327.06647	0.6
331.09628	1.0
332.10406	1.5
333.11258	4.7
342.08789	0.4
343.09726	1.9
357.11050	1.8
367.09637	0.6
385.10751	1.9
413.10001	1.2
417.13266	0.5
431.11301	31.9
432.11444	0.5
445.12872	8.4
454.04037	0.3
463.13913	17.9
625.28223	0.9
625.39905	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1765
Annotation	Isorhamnetin-3-Glucoside-4'-Glucoside
Peak:m/z	Relative Intensity
53.03934	0.7
55.01868	0.6
55.05505	0.9
57.03438	1.9
58.95992	0.3
61.02910	0.4
67.05493	1.3
69.03437	1.9
69.07060	0.8
69.74586	1.7
70.06601	3.0
71.04996	12.0
72.08137	1.0
73.02906	0.5
75.04459	0.3
79.05493	0.6
81.03401	1.1
81.07053	1.4
82.06576	0.5
83.04953	0.9
83.08630	0.5
84.08135	0.7
85.02911	16.5
85.06529	1.3
86.09709	1.2
87.00829	0.7
87.04486	0.7
91.05476	1.3
92.02589	0.4
93.03381	0.6
93.07029	0.9
95.04953	0.9
95.08604	1.0
97.02879	1.8
99.04433	0.8
100.11243	1.3
105.07018	1.1
107.08579	0.8
109.02890	0.8
109.06532	0.4
109.10167	0.7
111.04436	0.7
111.08063	0.7
112.07599	0.3
119.08551	0.6
120.08114	0.8
121.02833	0.7
121.06544	0.4
121.10137	0.8
125.09644	0.9
127.03914	1.4
127.64945	0.4
129.05475	3.3
133.10106	0.6
135.11755	0.5
137.02362	0.5
137.06004	3.2
138.06358	0.6
139.03918	0.5
145.04956	1.0
145.10072	0.3
147.06505	0.9
147.11694	0.5
149.13312	0.4
151.03912	0.7
151.07541	0.6
153.00597	0.4
153.01831	6.3
159.11862	0.4
161.05997	0.6
161.13283	0.4
163.03906	0.3
165.01823	0.5
175.07504	0.8
182.15396	1.4
201.05525	0.5
203.03427	0.6
210.14886	1.5
217.04906	0.9
228.04074	1.2
229.05008	2.3
231.02748	0.4
239.20163	0.4
245.04442	1.1
246.05238	0.9
251.10756	0.3
257.04340	1.9
273.03964	1.5
274.04770	3.9
285.03958	3.5
293.69205	0.3
302.04218	12.1
305.24823	0.5
311.12772	0.8
312.13177	0.5
313.07239	0.4
315.04935	0.4
316.05307	0.5
317.06570	100.0
318.07007	1.9
331.15491	0.7
608.40021	0.4
625.27380	0.7
625.42877	0.9
639.29272	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.2
55.05513	11.7
57.07058	7.4
57.36682	1.8
60.82484	1.7
61.02943	2.2
65.03951	2.1
67.05509	12.0
69.03419	7.1
69.06739	2.0
69.07071	26.7
71.56321	1.8
74.73766	2.1
78.68798	1.8
79.05489	5.3
81.03401	5.2
81.06594	4.1
81.07058	64.0
83.04972	2.1
83.08610	4.5
85.02895	8.8
85.06530	8.8
87.00797	5.1
91.05491	2.9
93.07050	14.7
95.04971	2.1
95.08616	27.5
97.02882	4.6
97.06506	3.8
97.10171	22.6
105.01859	2.5
105.07034	7.7
107.08598	21.8
109.02843	3.0
109.06510	4.3
109.10172	15.1
111.08067	2.7
111.11718	8.2
114.04810	2.2
119.08575	4.5
121.10152	15.0
121.94681	2.0
123.11710	100.0
127.03889	5.4
133.10146	5.2
135.11682	4.9
137.13271	12.1
139.11179	19.3
147.11694	5.5
149.13254	18.0
151.11139	2.1
155.14285	2.1
157.12224	13.6
158.26915	2.1
159.11699	2.5
161.13232	2.2
163.14825	4.5
165.12749	2.5
167.18347	1.8
190.47728	2.1
197.13374	2.2
203.12863	10.5
203.17915	2.7
216.61949	1.8
221.19051	2.7
239.19997	5.3
253.21695	3.3
263.87927	1.9
269.56992	2.4
287.23584	2.7
293.24811	13.5
305.24756	41.6
311.25757	8.7
323.25787	67.8
341.26843	16.6
413.26761	3.3
588.28381	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.9
55.01863	4.6
55.05524	21.4
57.07068	7.2
61.02932	7.9
67.05513	29.8
67.85332	3.5
69.03417	14.0
69.07061	28.3
70.06575	13.5
71.05007	5.2
71.48047	5.8
71.48411	4.7
72.12873	4.0
79.05484	25.0
81.03424	12.4
81.07063	83.0
83.04998	4.0
83.08609	14.7
84.08131	9.0
85.02896	26.0
86.09706	6.7
87.00831	8.9
91.03917	3.7
91.05476	14.0
93.06492	4.5
93.07047	55.8
95.04990	7.6
95.08611	74.6
97.02909	13.5
97.06526	10.8
97.10175	15.9
105.07043	27.6
107.08596	50.9
109.02872	8.2
109.06515	6.1
109.10164	53.0
111.08104	9.6
111.11734	5.6
119.08584	23.9
121.06506	5.6
121.10155	35.1
123.08031	5.4
123.11729	27.7
125.09638	11.7
125.54275	3.6
127.03926	15.1
131.08563	5.1
133.10129	25.3
135.11705	27.3
137.09616	8.8
139.11182	5.2
143.10689	4.3
145.04947	3.7
145.10155	7.5
147.11700	17.5
149.13269	42.0
149.60175	3.5
151.11240	8.4
158.10458	3.8
159.02863	3.7
159.11647	11.9
161.13246	12.0
163.14844	17.0
165.12762	5.5
173.13254	3.7
175.14801	4.3
177.12762	3.4
177.16417	9.9
179.14320	5.3
189.16412	10.3
193.15732	4.0
195.14008	3.7
195.17406	5.1
259.24170	6.6
269.22638	7.9
277.25174	10.0
287.23679	17.9
293.24725	29.3
305.24783	100.0
311.25980	7.3
312.94550	3.5
313.99030	4.3
315.05081	21.3
323.25800	54.4
341.26828	4.8
350.79248	3.5
542.79810	3.9
598.37988	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	624.229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.7
55.01873	2.7
55.05517	1.4
57.03427	1.7
61.02927	2.7
67.05503	1.3
68.99781	1.7
69.03447	9.2
69.07089	1.3
69.52528	4.1
69.52941	2.4
70.06603	5.4
71.04996	1.9
72.08160	2.5
73.02899	1.7
74.77372	1.0
79.05486	1.4
81.03426	7.7
81.07039	3.2
84.08142	3.2
85.02904	23.6
85.06535	1.4
86.09715	4.2
87.00838	7.6
91.05498	6.4
93.07036	2.6
94.04189	2.0
95.08628	3.0
97.02919	8.0
99.04442	3.3
103.05491	1.9
105.01882	5.7
105.07058	6.4
107.04930	1.1
107.08629	1.5
109.02876	8.2
109.06496	1.9
109.10166	1.5
115.05479	2.3
117.01902	1.2
117.07018	2.3
119.08566	2.6
120.08070	1.8
121.06544	2.0
121.10116	1.4
122.03692	6.1
127.03928	13.9
131.04956	2.8
133.06499	5.2
136.47729	1.2
137.05988	100.0
144.05693	1.3
145.04974	4.4
145.06483	1.7
147.04430	2.2
147.08043	3.9
149.06000	4.3
151.07571	1.9
157.06503	1.6
159.02899	4.5
159.08086	3.0
160.05237	1.5
161.05994	15.7
163.07590	2.6
175.07564	25.6
187.07579	9.9
190.07845	1.1
191.08607	7.8
193.08694	2.8
199.07565	4.3
203.08627	2.7
215.53244	1.1
217.04929	2.8
217.08594	1.4
218.07269	3.0
219.08116	12.0
220.08862	2.1
229.08669	1.4
231.04881	2.2
231.08090	2.3
236.08337	2.4
247.07574	7.2
248.08336	1.9
251.10683	19.2
253.08690	1.6
259.07544	2.3
260.08472	1.8
261.08994	1.5
263.10657	1.4
264.08011	1.6
267.06314	1.2
279.10168	14.7
281.07968	1.4
291.10083	7.9
296.10437	1.3
303.10168	1.7
309.11237	1.9
311.12802	45.9
315.04877	2.8
317.06680	6.5
321.11227	2.2
323.12860	13.7
335.12756	3.4
341.14078	5.4
353.14151	1.7
365.13541	1.2
401.13873	2.7
419.14862	2.1
541.16473	2.0
624.35052	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52618	0.1
55.01664	0.1
55.01886	0.6
60.04511	0.1
68.99798	0.3
69.03400	0.1
69.60806	0.1
69.87434	0.4
70.06596	0.3
72.08147	0.2
81.03422	0.3
84.14931	0.1
85.02914	0.2
86.09675	0.2
95.04942	0.1
102.26575	0.1
109.02884	0.2
121.02846	0.3
123.00760	1.0
123.04410	0.2
131.04875	0.3
135.04396	0.1
137.02351	5.1
137.03410	0.4
141.01825	2.8
149.02423	0.2
149.05943	0.1
151.03886	0.3
161.05988	0.2
163.03908	1.5
165.01834	3.3
171.04356	0.3
177.01767	0.1
183.02924	1.5
185.06003	0.4
187.03870	0.6
199.03958	0.2
199.92314	0.1
203.07072	0.2
206.94099	0.1
209.73238	0.1
211.40041	0.1
213.05458	1.0
217.04915	0.9
219.02921	0.1
223.03880	0.1
227.03404	0.2
231.06622	0.3
234.46394	0.1
241.04939	1.7
259.06000	0.7
269.04504	0.4
275.93591	0.1
287.05579	0.6
297.03717	0.1
299.05536	0.4
315.04987	100.0
316.05304	2.0
429.39273	0.1
436.06854	0.1
464.54608	0.1
477.10114	0.1
545.09180	0.2
563.10364	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	623.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.8
55.01863	3.0
55.05516	13.7
57.03422	5.1
57.07061	1.5
61.02936	13.5
61.96952	1.4
65.03948	2.2
67.05509	34.1
69.03417	5.9
69.07062	11.5
70.06586	4.5
70.53542	4.3
71.04993	2.2
73.02934	4.5
77.47903	1.4
79.05495	21.1
81.03410	6.6
81.07053	29.1
83.04990	3.0
83.08625	7.0
84.08102	1.7
85.02915	12.2
85.06535	3.8
86.09699	3.1
91.03957	6.2
91.05484	36.0
93.07044	25.1
95.04956	6.7
95.08612	18.7
97.02902	6.5
97.06516	5.6
97.10168	3.4
99.04459	1.7
103.05460	1.9
105.06390	2.6
105.07037	27.3
107.04960	7.0
107.08598	14.0
109.02872	1.7
109.06496	7.7
109.10157	8.4
111.08056	2.8
115.05444	3.9
116.06182	2.4
117.07033	21.5
119.08598	14.0
121.06507	6.3
121.10146	8.7
123.08065	3.9
125.09657	4.5
127.03933	2.9
128.06215	4.9
129.07011	23.6
131.04971	1.6
131.07033	1.7
131.08586	27.7
133.06494	5.5
133.10115	12.3
135.08032	4.6
135.11681	4.3
137.09610	1.9
141.06985	11.8
143.08577	19.3
145.06467	7.0
145.10147	14.6
147.08064	8.2
147.11679	5.1
149.09642	3.7
153.07005	1.9
154.07675	1.6
155.08568	16.0
157.06532	2.9
157.10121	14.8
159.08058	4.9
159.11642	8.0
161.09613	3.4
161.13292	1.4
163.11302	2.0
165.07080	2.0
167.08592	6.5
169.10158	11.9
171.08067	1.8
171.11673	7.4
173.09628	2.8
173.13237	3.7
175.11128	4.1
175.14844	1.9
177.12732	2.7
179.08656	1.9
180.87149	1.6
181.10121	7.7
183.07964	1.9
183.11659	7.4
185.09566	1.9
185.13277	6.3
187.11278	2.6
187.14835	1.9
189.12762	2.9
193.10161	3.9
195.11696	6.4
197.13257	6.7
199.11340	1.8
199.14830	2.1
201.12729	2.2
203.14348	2.5
205.12192	1.8
207.11723	4.2
209.13292	4.3
211.11317	1.8
211.14740	3.7
213.12810	4.1
213.16293	2.4
215.14366	3.0
221.13266	4.2
223.14804	3.5
225.12817	1.5
225.16284	2.1
227.14388	2.6
235.14847	2.4
237.16339	1.7
239.14383	2.7
245.15335	2.6
253.15924	2.5
257.15402	2.7
271.16901	5.4
304.23480	1.6
315.05017	6.6
323.23639	4.5
333.22137	7.2
341.24704	5.8
351.23291	21.7
369.24277	30.5
387.25287	14.5
425.26758	4.2
433.29077	1.7
443.27963	100.0
444.28326	2.1
461.22507	3.0
461.29037	57.6
485.28885	1.9
587.31586	2.1
605.33093	2.3
623.24304	1.6
623.34174	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	623.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	6.6
55.01867	3.4
55.05519	19.2
57.03427	8.2
61.02932	31.0
65.03944	5.3
67.05506	41.3
69.03415	8.8
69.07069	14.4
70.44221	11.7
71.04980	4.8
73.02902	8.0
79.05502	37.6
81.03402	6.3
81.07067	37.3
83.04942	3.6
83.08642	13.5
85.02920	24.3
85.06521	2.6
91.03966	13.5
91.05486	54.0
93.06549	3.5
93.07053	31.8
95.04951	7.5
95.08641	25.4
97.02911	16.1
97.06522	6.1
97.10191	3.0
103.05432	4.4
105.07041	41.7
107.04918	8.4
107.08595	14.8
109.06483	4.2
109.10149	9.0
111.08085	5.7
115.05443	4.9
117.07042	32.9
119.08620	20.1
121.06511	9.7
121.10156	13.4
123.08092	4.8
124.22417	2.6
125.09641	4.3
127.03851	3.5
127.07586	2.7
128.06221	12.4
129.07018	33.7
131.08588	39.8
133.06493	5.6
133.10138	12.5
135.08028	4.7
135.11667	6.0
137.09639	3.5
141.07031	16.0
143.08572	31.5
145.06459	8.7
145.10103	13.6
147.08072	8.4
147.11647	6.2
148.92682	2.9
149.09616	5.0
155.08542	28.1
157.06453	5.5
157.10115	18.1
159.08084	5.5
159.11714	8.1
167.08521	15.4
168.09309	5.2
169.10132	19.6
171.11679	11.0
173.09505	3.4
175.11122	4.8
177.12744	7.2
179.08636	5.1
181.10114	11.4
183.11742	11.6
185.13200	4.6
187.14809	3.5
193.10173	9.5
195.11668	14.3
197.13284	9.4
199.14833	5.0
203.14323	3.4
205.12193	3.8
207.11678	4.3
209.13228	10.7
211.11290	4.3
211.14850	7.4
211.92725	3.0
213.12822	2.9
215.14308	9.9
221.13280	12.6
221.15309	3.2
223.14771	10.6
225.12825	3.3
225.16324	3.5
235.14839	7.5
239.14339	9.1
257.15549	4.8
271.16983	6.3
315.21158	4.2
323.23660	6.4
333.22214	14.3
341.24716	9.7
351.23251	55.1
369.24329	35.2
387.25372	18.2
425.27026	8.8
433.29755	4.5
440.43771	3.2
443.27936	100.0
461.29044	68.8
462.29047	4.0
621.75610	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.2
55.01868	6.3
55.05514	34.4
57.03419	7.3
57.07072	6.7
61.02922	4.5
67.05508	30.3
69.03428	34.7
69.07066	37.2
70.06589	14.4
70.20712	8.1
71.04994	12.3
72.08163	5.5
79.05508	27.6
81.03419	19.7
81.07060	100.0
83.04971	15.3
83.08630	15.2
84.08150	4.9
85.02910	28.1
85.06532	12.1
86.09718	10.8
87.00839	6.6
87.05527	4.3
91.05489	24.5
93.07051	71.8
95.04982	19.1
95.08616	72.9
97.02905	12.5
97.06519	10.7
97.10181	40.5
98.21421	5.5
99.04472	8.1
105.01884	5.7
105.07037	51.9
107.04989	6.7
107.08598	56.0
109.02894	14.7
109.06551	16.4
109.10167	53.5
111.08087	12.0
111.11729	7.8
117.07031	7.5
119.08585	39.7
120.08104	9.3
121.06500	8.2
121.10140	56.0
122.98756	4.6
123.04343	4.7
123.08072	10.7
123.11727	49.9
125.09630	24.8
127.03927	18.2
129.07019	8.6
131.08568	11.2
133.10127	29.2
135.08054	10.1
135.11711	38.6
139.11172	14.7
143.10718	11.7
145.10124	25.3
147.11682	35.2
149.09637	11.1
149.13275	12.3
149.20154	4.2
151.11206	5.3
153.12740	5.9
155.10597	5.9
157.12234	8.5
159.11739	19.4
161.09613	6.7
161.13284	13.2
163.11189	14.8
163.14804	5.5
165.12794	10.7
173.13309	8.7
175.14774	4.9
177.16356	4.9
180.64346	4.9
181.12433	5.4
187.14864	13.3
209.15324	6.8
270.25446	4.9
275.23688	10.4
285.22333	6.2
291.23276	7.1
293.24817	9.1
303.23221	69.5
304.23547	7.8
309.24429	7.6
315.05023	17.4
321.24246	43.8
322.24667	9.2
339.25305	12.7
357.20636	6.3
404.82422	4.3
551.18536	5.3
579.24231	21.5
579.32452	9.7
623.22729	79.8
623.37439	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	623.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.2
55.05507	27.6
57.03424	7.2
67.05512	30.8
69.03416	22.3
69.07067	34.6
70.06586	8.2
70.09989	4.9
70.72739	12.4
71.04976	17.2
72.08147	7.1
73.02921	6.0
79.05504	29.1
81.03419	20.4
81.07060	100.0
83.04961	10.5
83.08618	13.2
85.02898	23.3
85.06538	16.0
86.09666	4.6
87.00833	11.8
91.05489	18.5
93.07054	59.2
95.04955	18.9
95.08606	77.2
97.02885	8.4
97.06517	12.1
97.10188	55.0
99.04467	5.6
105.01870	8.4
105.07029	45.0
107.08596	51.5
109.02856	11.7
109.06512	13.0
109.10176	52.4
111.08090	11.6
111.11713	9.1
113.09634	6.6
119.08564	31.3
120.08154	5.5
121.06486	5.5
121.10165	47.5
123.08062	6.2
123.11693	46.0
125.09629	15.7
127.03926	16.0
131.08549	9.7
133.10130	29.4
135.08037	12.1
135.11705	33.2
136.07538	5.2
137.13231	14.6
139.11185	17.9
143.10654	10.4
145.04947	8.4
145.10114	20.8
147.11662	33.0
149.09645	6.0
149.13261	23.5
151.11172	8.7
159.11662	15.2
161.13275	14.9
163.11165	13.5
165.12717	9.7
169.12090	5.4
173.13297	7.5
177.12782	6.4
189.16415	5.6
195.13831	8.0
209.15323	9.9
223.16849	6.6
267.21014	6.2
275.23792	12.2
285.22156	10.4
291.23236	9.0
293.24664	10.8
303.23218	86.1
309.24179	17.7
315.04727	7.8
321.24268	70.9
322.24594	5.4
339.25467	25.5
431.47507	5.6
638.18677	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	623.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.4
55.05526	0.6
67.05502	1.5
68.69827	0.4
69.07082	0.7
69.15886	3.7
69.16302	1.0
79.05496	1.9
80.17155	0.3
81.03421	0.5
81.07064	1.7
83.04975	0.4
88.08308	0.4
91.05493	1.1
93.07053	1.2
95.08627	1.0
97.06539	0.5
99.59975	0.4
105.07070	1.5
107.08598	0.8
116.83298	0.3
120.08139	0.4
121.10149	0.9
129.07033	0.6
133.10095	0.4
143.08530	0.6
144.65096	0.4
155.08501	0.5
159.11732	0.6
169.10217	0.5
183.11809	0.6
187.14917	0.5
189.11218	0.4
189.34709	0.4
201.05893	0.4
206.67798	0.4
271.16931	0.4
275.20248	0.7
328.14648	0.4
375.16507	0.4
376.17435	0.5
377.17505	0.5
387.16599	0.7
388.16827	0.5
389.17825	1.6
390.18686	0.9
391.19113	1.0
399.16412	0.5
401.17847	1.3
402.18781	1.0
403.19955	1.9
404.20132	1.4
405.20898	1.8
414.18848	0.7
415.19437	1.7
416.20322	0.9
417.17081	1.9
417.21875	2.8
418.17435	0.6
419.22723	4.7
420.23398	0.5
429.16620	0.9
429.21777	0.7
430.17267	0.7
431.18765	3.4
431.22916	2.4
432.19284	2.1
433.20248	2.7
434.20880	0.6
435.21957	1.2
443.18378	3.7
444.19135	1.9
445.20090	8.2
446.21118	5.0
447.22357	5.7
448.23053	0.7
449.23544	1.7
450.24295	0.5
457.20349	1.6
458.21027	1.4
459.22198	3.4
460.22964	0.8
461.18887	1.9
462.20642	1.8
463.20990	2.0
473.23914	0.5
475.21176	2.7
476.22055	5.9
477.23059	6.5
478.23737	0.5
489.23553	2.9
491.20660	0.7
499.21289	1.6
500.22375	0.5
501.23038	1.1
503.25015	1.0
505.21667	0.8
508.24536	0.7
517.22339	1.2
518.23474	1.1
521.22241	1.7
529.22559	1.3
533.25616	15.2
535.23926	1.6
545.21564	2.6
549.25366	0.7
561.25446	1.0
563.26672	18.7
564.24750	0.5
573.21802	0.9
577.24426	0.6
591.24707	0.6
593.27600	3.6
594.24969	1.4
595.27209	0.5
605.23785	4.3
623.28735	100.0
624.28986	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62324	0.3
52.46964	0.4
57.45580	0.3
67.05490	0.6
71.47928	0.4
95.08614	0.8
117.41393	0.3
118.80074	0.4
209.10817	0.4
252.26309	0.4
266.42719	0.4
311.77563	0.4
389.17670	1.3
390.18671	0.7
391.19379	1.5
392.19739	0.5
400.16812	0.4
401.17816	1.2
402.18607	1.2
403.19492	2.4
404.20255	0.5
405.21051	2.1
406.21738	0.4
407.22467	1.0
415.19330	1.5
416.20166	1.0
417.16876	1.5
417.21884	2.2
418.17871	1.1
418.22357	0.5
419.22989	3.4
420.23175	1.4
421.23959	0.5
428.16504	0.5
429.20923	1.3
430.17493	2.3
431.17923	3.7
432.19397	1.2
432.24176	0.6
433.20197	6.3
434.21161	0.9
435.22028	0.8
443.18057	1.7
444.18906	2.3
445.19858	6.1
446.21268	3.9
447.22043	5.4
448.22348	1.3
449.23563	0.8
457.20334	0.5
458.20712	5.2
459.21588	5.4
460.22949	4.0
461.19412	0.6
462.20840	1.4
463.21158	2.2
465.22891	0.5
471.21945	0.5
472.22516	0.8
473.23569	1.3
475.20886	2.2
476.21899	2.1
477.22983	2.3
478.23932	0.4
485.23468	0.9
487.25644	0.6
489.19827	0.5
491.22290	0.5
501.23056	0.5
503.20340	0.6
503.24792	0.6
504.25443	0.4
505.21597	1.9
517.22784	0.5
518.23096	3.5
519.23975	0.8
521.21991	1.1
530.22864	0.5
531.23901	1.0
532.25012	1.0
533.25513	7.7
534.25775	0.5
535.27710	2.0
545.25726	3.0
545.98169	0.4
546.26141	1.2
549.25494	0.5
563.26581	9.0
573.25305	0.8
577.27924	0.8
591.25616	1.4
605.27582	9.0
623.28699	100.0
624.28870	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	623.2868
Annotation	Cyclotaxinine NN-2
Peak:m/z	Relative Intensity
55.05519	0.8
67.02579	0.5
67.05527	0.6
69.43222	1.1
69.43616	3.5
79.05489	1.3
81.07077	0.9
81.53433	0.6
91.05460	0.9
93.07045	0.8
95.08642	0.9
98.20771	1.1
120.95782	0.5
126.66916	0.5
133.10124	0.6
245.66646	0.5
267.11584	0.5
323.19482	0.8
375.16187	0.7
377.17490	0.7
389.17627	0.9
391.19391	1.6
403.19437	1.2
404.20117	1.4
405.16592	1.1
405.21051	1.8
406.21774	1.3
407.22885	0.9
417.17279	1.7
418.17383	1.2
418.22266	0.8
419.17725	2.6
419.23270	1.0
421.24200	2.1
431.18497	1.5
431.23251	1.1
432.19592	1.6
433.20032	3.6
434.20959	0.8
435.21838	1.4
443.18652	1.7
445.20206	3.7
446.21298	2.0
447.22745	3.7
448.22623	1.5
449.23532	4.8
458.21127	1.5
459.21753	1.1
460.22827	0.8
461.19800	2.5
462.20349	1.1
463.21414	1.4
475.20932	2.4
476.22012	5.2
477.22961	4.3
489.23007	2.2
490.23651	1.2
493.22394	0.6
503.24579	0.8
519.24048	1.6
520.24829	0.7
521.22430	1.2
522.26123	0.6
529.22083	0.7
531.23999	0.7
533.25452	3.7
535.28027	2.9
545.25574	1.0
549.25262	0.7
563.26575	20.9
591.25580	1.3
593.27954	0.8
605.27039	2.3
623.28693	100.0
624.28687	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
71.13226	1.2
71.13555	0.7
87.02829	0.6
105.50430	0.5
107.55530	0.5
124.55157	0.6
124.91811	0.6
161.25548	0.5
195.25395	0.5
209.87698	0.6
212.23195	0.7
239.29337	0.6
240.33459	0.6
243.60553	0.5
322.85986	0.6
354.33957	0.6
376.17349	0.8
377.17514	1.3
378.18533	0.7
390.18576	0.9
391.19449	2.0
392.19852	1.3
393.21072	0.6
404.20798	1.1
405.21155	3.1
406.21506	1.8
407.22391	7.9
413.17307	0.8
414.18393	1.0
415.19760	1.2
417.21014	0.8
419.22382	1.8
420.23099	1.9
421.23889	7.1
422.24680	2.2
428.19815	1.1
429.20953	3.6
430.21771	1.1
431.58304	0.7
433.15903	0.9
433.24713	0.9
441.21170	0.7
443.22357	1.4
444.23306	2.4
457.24072	1.7
458.24707	1.6
459.21942	2.5
460.22720	1.1
461.19003	3.1
462.20975	0.6
463.20923	0.7
471.22940	0.6
472.22653	2.7
473.23557	0.7
474.20715	0.7
475.21100	5.4
476.21518	3.1
477.22678	2.9
485.23624	4.4
486.20047	1.3
488.22104	0.9
489.23145	2.7
499.21405	4.0
500.22141	1.2
503.24536	5.6
504.25424	0.9
513.23047	1.6
514.24127	0.7
517.24121	1.8
517.25574	1.9
535.27252	4.6
545.25592	24.8
546.26312	1.1
559.23248	0.6
563.26410	1.2
564.27319	1.4
573.24982	5.4
577.27997	1.4
591.25909	2.5
605.27631	19.2
623.28668	100.0
624.29218	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14355	0.5
55.05498	0.4
65.05087	0.5
67.05497	0.7
68.48159	0.4
71.48560	0.7
75.06334	0.5
77.83463	0.5
79.05508	0.6
80.67256	0.5
140.72061	0.5
211.01688	0.4
249.34047	0.5
374.15897	0.6
375.16101	0.9
388.17450	0.8
389.17654	3.5
390.18469	1.5
391.19366	3.5
403.14774	0.7
403.19693	3.3
404.19864	1.4
405.15836	0.8
405.20825	9.3
406.21561	1.3
415.19308	0.8
416.20255	1.1
417.16534	7.3
418.17471	3.4
419.18442	3.6
431.18314	6.6
431.23956	0.6
432.19360	9.3
433.20145	10.1
433.25372	0.6
434.21106	0.8
443.18411	1.0
445.20474	3.4
446.21393	1.0
447.21994	0.7
449.23441	1.8
459.22058	1.7
460.22806	0.8
461.19199	2.5
462.20718	1.0
463.21490	2.3
465.23215	0.6
475.21213	3.1
476.22006	4.9
477.23727	4.4
478.23407	1.2
489.22931	2.0
491.25043	0.9
503.24606	0.7
508.24622	0.6
519.23987	22.0
520.24615	0.9
521.21228	1.0
523.27136	1.1
547.23975	0.6
549.24976	1.6
551.27026	0.7
563.26471	15.1
579.26074	5.5
591.26013	0.8
605.25415	0.7
623.28717	100.0
624.28711	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66130	0.9
51.66408	0.8
54.57852	0.7
60.75063	0.7
69.15668	7.7
69.16278	0.8
74.07655	0.7
98.21519	1.9
100.94794	0.7
238.14751	1.1
359.37076	0.7
374.16171	1.1
377.17758	1.9
378.18347	1.4
389.18790	2.1
390.18488	1.3
391.19180	4.2
392.20081	3.0
393.20593	1.9
399.15854	1.1
400.17389	1.2
401.17847	1.8
402.19318	1.4
404.20258	1.2
405.21136	4.1
406.21307	4.2
407.22342	12.2
413.17621	3.2
414.18771	2.4
415.19318	6.3
418.22208	1.1
419.22775	1.7
420.23135	1.9
421.23999	9.8
422.24539	1.6
426.18582	1.1
427.19278	2.2
428.20203	3.6
429.20886	11.3
430.22287	1.8
432.19318	1.2
442.21884	2.0
443.22470	7.7
444.23114	4.9
445.20258	2.5
447.18161	2.5
448.18890	1.1
455.18774	1.1
456.19641	2.2
457.23981	3.5
458.25165	6.5
459.21997	6.8
460.22766	2.0
461.19818	3.7
462.20557	2.6
463.21799	0.9
471.21750	1.9
472.22684	6.1
473.23425	2.9
475.20868	5.0
476.22247	3.4
477.22934	3.0
485.23660	12.0
486.19714	1.6
486.24643	2.9
487.20685	1.6
488.22330	1.0
489.22806	2.5
499.21423	3.4
500.22141	1.7
502.23682	1.0
503.24420	5.7
507.23837	1.7
508.28842	1.0
513.23102	2.7
514.23920	2.0
517.26385	7.0
529.26208	1.4
531.24213	1.4
535.27100	4.6
545.25507	84.7
546.25836	1.6
564.27264	1.6
573.25037	18.1
591.26062	2.0
605.27631	100.0
606.28192	2.8
623.28668	87.6
624.29065	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	623.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01460	1.0
52.62123	0.9
55.05522	1.8
56.87700	0.9
57.03436	1.1
58.76502	0.9
65.19801	0.9
67.05505	4.0
69.36197	8.4
79.05492	3.4
81.07050	3.4
91.05491	2.6
93.07055	2.2
95.01353	2.9
95.04954	1.4
95.08617	1.8
105.07042	3.0
109.10188	1.3
117.07029	1.3
121.10182	1.1
131.08569	2.6
133.10153	1.2
143.08510	1.1
145.10143	1.9
147.83858	0.9
172.63654	0.9
177.41399	0.9
182.09663	1.0
223.12340	1.2
225.13908	1.1
235.67468	1.1
249.14185	1.0
251.11826	1.0
265.13684	1.2
359.66705	0.9
376.17386	1.2
377.17496	2.4
378.18463	1.8
386.15781	1.1
387.16193	1.5
391.19443	3.2
392.20099	2.2
393.20807	2.8
399.16376	2.0
400.16998	1.8
401.17627	5.2
402.18539	2.0
404.16388	1.4
405.21191	1.9
407.22369	4.4
413.17966	2.6
414.18558	2.1
415.19406	5.5
416.20120	1.8
417.21359	1.3
418.18127	1.2
419.18634	3.4
421.20270	2.9
427.19681	1.5
428.20087	3.5
429.20938	3.3
430.21783	1.5
432.19455	1.5
435.21884	3.8
441.17380	1.2
443.22485	3.7
444.19141	5.5
445.19803	1.5
445.24759	1.5
446.21249	2.3
447.18253	3.9
457.20300	3.1
458.21106	3.2
461.19382	5.1
462.20517	3.3
463.20950	2.2
470.16653	1.6
471.22675	6.6
472.18680	1.2
473.19681	3.5
474.20581	2.9
475.21548	3.9
476.18335	1.4
483.21344	1.7
484.19235	1.6
485.19824	3.6
486.20370	4.1
488.22061	1.7
489.23694	7.4
490.19354	5.3
491.20645	2.6
499.21350	17.0
500.18118	2.1
501.23087	8.5
502.20801	1.7
503.20795	5.2
507.24377	1.7
513.19366	1.4
514.20050	2.7
516.21649	1.3
517.22516	12.7
521.21973	1.2
527.20844	2.7
529.22394	12.4
531.20490	1.4
535.23596	3.1
545.21924	53.8
546.22449	2.1
555.20410	1.8
563.23676	1.8
564.23724	1.7
573.21411	20.7
577.24640	1.4
591.22278	4.2
605.23981	100.0
606.24017	2.8
623.25006	86.0
624.25726	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	623.25
Annotation	Unknow
Peak:m/z	Relative Intensity
70.54668	1.6
75.62710	0.8
98.89189	0.9
259.12314	1.0
353.27960	0.9
358.24747	0.8
375.16806	1.1
377.17770	2.7
378.18854	1.0
389.17868	0.9
390.18729	1.6
391.19467	4.0
392.20203	1.0
392.27963	0.9
393.20547	1.6
400.17123	1.4
401.17847	2.8
404.20456	1.0
405.21191	1.9
407.22525	4.1
413.17966	1.3
414.18423	2.3
415.19385	3.6
416.20193	1.3
418.18118	1.6
419.18704	1.3
429.20984	2.6
430.21817	1.0
431.18982	1.6
433.20920	1.6
435.21881	2.2
443.23154	1.4
444.19653	1.7
445.20428	2.7
446.21234	1.7
447.18478	3.0
448.19116	1.7
457.20831	1.7
458.21048	1.8
459.17929	1.8
461.19833	3.6
462.20630	1.5
463.21017	2.3
465.23404	1.1
470.17361	1.3
471.22516	5.8
472.18933	1.7
473.19104	4.1
474.20480	3.0
475.22034	1.8
476.18341	1.1
485.19946	4.3
486.20569	3.3
489.17813	1.4
489.22751	6.6
490.19293	5.7
491.21130	3.4
499.21396	11.6
500.18167	2.0
501.23480	5.1
503.21255	5.1
505.21313	0.9
507.24118	2.0
511.21164	1.3
513.19275	3.9
514.20178	1.8
517.22412	14.5
518.22345	1.6
519.20264	1.1
527.20844	2.7
529.22363	7.5
531.20398	3.3
535.23572	3.6
536.24261	1.9
545.21906	27.9
546.22699	1.4
547.23779	1.4
563.23071	3.2
564.23572	2.7
573.21307	10.8
577.24799	4.2
591.22180	5.3
595.25391	1.2
605.24005	48.7
606.24371	2.0
623.25037	100.0
624.25165	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80833	0.4
67.05509	0.6
68.98982	0.6
70.19832	2.0
79.05491	0.6
100.27106	0.4
170.09645	0.5
172.07607	0.5
195.09256	0.8
197.10678	0.8
207.09351	0.6
209.10693	0.6
221.10786	0.5
223.12334	0.8
247.12491	0.5
286.13419	0.7
310.13519	0.6
311.14441	0.7
338.12924	0.6
342.12720	0.5
360.15353	0.5
362.15564	0.8
363.16058	0.9
373.15115	0.6
374.16336	0.6
375.17111	1.1
376.17285	1.5
377.17844	2.4
378.18521	1.9
385.15121	0.6
386.16086	0.9
387.16388	1.4
388.17758	0.9
389.18137	1.6
390.18570	1.5
391.14944	0.5
391.19330	4.2
392.20337	2.4
393.20752	2.2
398.15729	0.8
399.16202	2.2
400.16833	2.7
401.17789	5.6
402.18494	1.8
403.19543	1.1
404.16162	1.0
405.16440	1.3
405.21594	2.4
406.21765	0.6
407.22406	4.9
411.16293	1.0
413.17719	3.4
414.19000	3.0
415.19479	6.9
416.20309	2.1
417.16470	1.2
417.20929	2.1
419.18341	2.8
419.23343	0.8
421.20303	1.8
425.18082	0.6
427.19727	2.3
428.20386	3.7
429.16443	1.4
429.20773	3.4
430.22192	2.8
431.18738	2.0
433.16257	1.5
434.21109	0.7
435.22025	3.7
439.19180	1.1
441.17166	0.7
442.17218	0.7
443.17371	0.8
443.22327	4.5
444.19168	3.8
445.19846	2.9
446.21045	1.6
447.17355	4.9
448.18906	1.6
449.19818	2.0
456.19669	1.5
457.20087	2.2
458.21658	2.7
459.17804	1.0
460.18369	0.8
461.19302	4.1
462.20508	4.2
463.20511	3.4
466.20117	0.6
470.17194	1.1
471.22565	8.2
472.18863	2.2
472.23834	0.9
473.18869	5.0
474.20248	3.4
475.22388	4.3
476.18188	0.8
477.23453	2.5
480.25085	0.6
483.21313	0.7
484.19260	1.3
485.19882	3.0
486.20364	5.6
487.21271	0.9
488.17450	0.6
489.17648	0.7
489.23825	6.7
490.19104	5.0
491.19849	3.1
493.22180	1.2
499.21405	18.0
500.18530	2.3
501.23383	6.9
502.19989	1.7
503.20792	5.5
507.23776	2.2
508.24713	0.7
511.21222	1.4
513.19135	1.7
514.20020	1.2
516.21320	1.5
517.22369	14.1
518.23151	3.6
520.21472	0.6
527.20941	3.5
529.22406	12.0
531.20111	0.8
535.23706	3.1
536.24164	1.7
545.21844	52.8
546.22522	1.5
547.27264	2.4
549.24615	2.6
550.25940	2.9
555.20355	2.1
563.22467	2.9
564.23175	3.4
573.21307	17.4
574.22070	0.8
577.24939	1.0
579.29608	1.5
591.23676	3.2
595.25391	1.1
605.23926	100.0
606.24463	2.9
623.24908	76.5
624.25983	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24431	0.9
51.56725	0.8
61.54195	0.7
71.48330	1.5
78.54925	0.8
160.67773	0.8
187.83449	0.8
194.08249	0.8
197.45877	0.8
209.10747	1.3
221.10745	1.4
223.12254	1.1
225.13866	0.9
235.12434	1.2
237.13962	1.8
249.13928	1.0
251.11957	1.0
338.13074	1.2
362.16443	1.0
375.16846	1.1
388.17657	0.9
389.17825	2.4
390.18689	1.4
403.15613	3.2
405.20807	2.4
416.16434	1.1
417.17136	3.7
418.18179	3.0
419.18521	1.0
431.18811	1.9
432.19687	2.7
433.20248	3.3
445.16663	2.9
445.21442	1.1
446.17300	2.6
447.17987	5.2
447.22253	4.5
448.18777	1.6
459.18118	2.3
460.18344	3.9
461.19226	6.1
462.20334	5.9
463.21512	1.5
473.19626	1.3
475.21307	25.7
476.22067	9.5
477.22867	9.4
479.24658	1.0
489.22574	2.5
493.22864	1.0
503.20325	4.6
516.77850	1.0
517.22528	1.2
520.24487	1.1
521.21875	1.2
533.22046	1.1
534.26031	2.3
535.22998	14.6
536.24347	2.4
545.25391	1.5
547.23395	3.9
548.24084	1.9
549.25098	3.2
562.25647	15.5
563.26520	16.6
566.29333	1.0
575.23224	1.9
579.25446	1.4
590.24786	6.1
593.24335	5.2
594.28638	5.9
602.15179	0.9
607.25385	4.9
622.27850	100.0
623.28406	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	621.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	19.2
55.01863	6.9
55.05517	68.6
61.47286	7.9
67.05508	34.6
69.03433	53.1
69.07072	62.8
69.49230	7.5
70.06601	33.8
71.04996	30.2
71.06906	6.4
72.08160	11.8
73.20246	6.9
79.05486	38.1
81.03416	33.8
81.07066	100.0
82.22350	5.9
82.74866	6.7
83.04998	14.4
83.08617	13.9
84.08150	15.1
85.02916	36.1
85.06541	12.7
86.09702	24.6
87.00823	10.7
88.69231	6.2
91.05492	46.6
93.07056	92.9
95.04968	28.7
95.08614	78.3
96.15535	6.8
97.02888	24.7
97.06550	20.5
97.10188	85.3
99.04430	11.9
101.05997	7.6
105.07048	45.6
107.04974	11.8
107.08611	75.1
109.02888	18.3
109.06500	16.7
109.10181	56.6
111.08080	18.8
117.06963	14.7
119.05016	7.4
119.08584	50.9
120.08154	18.8
121.06533	12.6
121.10143	73.6
123.08041	12.8
123.11717	22.2
125.06030	7.8
125.09641	64.5
127.03912	23.7
129.10287	9.0
131.08580	18.4
133.10150	51.4
135.08124	15.6
135.11671	49.5
136.07625	10.7
137.06012	8.5
137.09619	17.1
139.11162	24.8
143.08566	12.1
143.10683	30.9
145.10138	36.8
147.08055	11.3
147.11691	27.7
148.11264	10.4
149.09619	12.9
149.13268	21.6
151.07562	11.6
151.11186	21.3
153.09109	9.8
157.10170	14.3
157.12219	8.4
159.11728	29.0
161.09647	16.0
161.13298	10.3
163.11188	34.1
165.09108	9.5
166.08766	7.0
171.11682	12.4
173.13301	13.7
175.11165	15.3
181.12276	16.3
195.13702	11.0
205.12320	7.9
237.14868	11.8
275.20123	31.0
291.23306	12.7
293.21124	75.7
301.21613	52.8
307.22513	17.2
319.22635	62.7
325.23825	13.7
337.23828	51.3
355.24707	27.3
373.25723	15.0
517.29523	8.1
535.30731	23.0
577.32159	75.6
621.31250	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	621.2709
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
53.75519	0.3
60.18045	0.3
65.05173	0.5
79.05483	0.4
79.49973	0.4
81.07064	0.6
81.95395	0.4
89.22707	0.4
120.66108	0.4
162.56433	0.4
189.87738	0.3
209.10782	0.4
221.10695	0.5
223.12302	0.5
346.96066	0.4
374.15109	0.5
375.16196	0.6
387.16074	0.9
388.16882	1.2
389.17606	2.5
390.18512	1.5
391.19464	0.9
401.17801	0.8
402.18640	1.4
403.14746	0.6
403.19556	4.9
404.20111	2.2
405.20804	2.4
415.19504	0.9
416.16345	1.6
416.21078	0.6
417.17096	3.4
417.21078	2.9
418.17340	0.8
418.22351	0.9
419.22382	7.3
420.22958	1.2
429.16708	0.8
430.17905	1.6
431.18027	6.7
432.19257	3.2
433.19864	2.3
444.19077	0.9
445.20309	6.6
446.21021	7.3
447.21881	8.5
457.20291	0.6
458.21039	0.6
459.22974	3.0
460.23196	0.6
461.19952	1.1
473.19772	1.5
474.20517	6.1
475.21234	7.8
476.21851	0.5
487.21393	2.9
488.22351	0.8
490.23395	0.6
491.20163	2.0
501.22952	2.2
502.23880	0.7
505.26172	1.3
515.21344	0.4
518.23132	0.7
529.22626	1.1
533.25641	14.8
534.26208	0.6
546.23096	0.6
561.25006	24.8
562.25604	1.1
589.24445	1.9
593.27582	5.2
621.27124	100.0
622.27411	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	621.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89448	0.4
55.01921	0.4
62.73402	0.4
67.54215	0.4
73.66122	0.4
118.98316	0.5
147.92526	0.4
173.36549	0.4
229.50459	0.4
374.15768	0.6
375.16080	1.4
386.15811	0.7
387.16043	1.3
388.16815	1.5
389.17648	4.1
390.18286	1.3
400.17795	0.5
401.17679	1.3
402.14243	1.0
402.19211	2.0
403.19504	7.5
404.20297	2.8
405.20889	2.8
415.19168	1.6
416.16022	1.7
416.20508	1.0
417.16888	3.8
417.20905	4.4
418.17221	0.9
418.22061	0.7
419.22360	10.4
429.16470	0.8
429.21255	1.0
430.17169	2.1
431.17984	7.9
431.23462	0.8
432.19125	3.4
433.19989	2.0
443.18732	0.8
444.19458	1.2
445.20227	9.3
446.20932	5.9
447.21771	12.0
448.22760	0.7
457.20392	0.9
459.17532	2.2
459.22083	2.7
460.18155	1.0
460.23596	0.7
471.17807	0.6
473.19666	2.0
474.20468	12.4
475.21326	16.5
476.21719	0.7
477.22955	0.7
487.21365	5.2
488.22147	1.7
489.22424	0.5
491.20462	1.0
501.23071	2.5
502.23734	1.0
503.21313	0.6
505.26151	1.4
529.22253	0.9
533.25586	12.3
546.22473	1.0
561.24982	84.9
562.25415	4.2
589.24335	2.4
593.27557	4.2
594.37970	0.5
621.27094	100.0
622.27338	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	621.2704
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
52.59743	0.4
65.62885	0.5
67.06274	0.5
69.24203	4.5
77.19730	0.5
89.33343	0.5
98.20738	0.9
108.91364	0.5
209.10938	0.5
298.13464	0.6
373.14578	0.5
375.16296	0.9
387.16156	0.8
389.17877	3.0
390.18579	1.7
391.19434	1.1
401.17911	0.6
402.18799	1.1
403.19540	4.4
404.20056	2.3
405.20798	3.2
415.19559	0.8
416.20291	0.8
417.17081	3.0
417.21045	2.9
418.17368	0.8
418.22122	0.7
419.22327	7.5
420.23013	1.0
430.17780	1.3
431.18002	6.0
432.19128	3.0
433.20294	2.2
443.18591	0.6
445.20050	5.9
446.21072	7.1
447.21841	10.8
458.21548	0.5
459.21915	2.7
461.19739	1.5
473.19315	1.3
474.20386	6.4
475.21234	8.4
476.21707	0.6
477.23282	0.9
478.24045	0.6
487.21246	3.4
488.22476	1.0
491.20276	1.2
501.23074	1.4
505.25620	1.6
519.19904	0.8
533.25684	14.4
542.75354	0.5
546.22821	0.8
561.24994	21.6
562.25824	1.1
589.24194	0.9
593.27832	3.8
621.27124	100.0
622.27686	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	620.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	9.2
55.01877	15.3
55.05515	9.0
57.03424	4.5
61.02931	1.8
61.79722	1.3
65.03935	2.7
65.97369	1.2
67.01835	1.5
67.05511	46.8
69.03432	39.8
69.07071	8.4
70.01639	2.5
70.02029	3.2
71.05007	13.9
73.02921	9.5
79.05066	2.5
79.05497	29.1
81.02939	1.9
81.03423	35.3
81.07059	46.7
83.04971	3.5
83.08617	5.0
85.02911	18.6
91.05484	15.4
93.07051	31.1
95.04985	3.0
95.08615	40.0
97.02299	2.4
97.02900	39.0
97.06521	2.5
97.10160	3.2
98.20796	1.4
99.04460	62.3
99.08128	1.4
101.02390	3.0
105.07038	13.1
107.08597	18.3
109.02887	40.2
109.06517	1.9
109.10165	19.5
111.04462	11.5
115.03902	2.1
117.07036	5.4
119.08576	10.8
121.06591	1.5
121.10140	16.6
123.11711	9.2
127.03924	100.0
129.06973	1.7
131.08577	10.6
133.10132	8.7
135.11716	12.0
137.09669	2.2
137.13255	3.7
145.04974	18.3
145.10130	7.1
147.11707	8.3
149.13255	7.7
157.10295	1.4
159.11710	4.7
161.13254	5.2
163.14850	4.3
165.12735	1.6
173.13300	6.7
175.14825	3.1
187.14879	3.6
197.13286	1.9
213.12895	1.6
241.19576	2.3
243.21114	7.2
259.20514	6.9
261.22156	24.2
277.21579	10.4
279.23254	5.1
315.23349	2.7
341.24484	2.0
351.23187	2.5
357.24164	4.2
369.24200	6.6
387.25238	4.8
405.26318	7.9
423.27423	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.7
55.01854	12.1
55.05518	19.4
57.03423	13.2
61.02921	7.1
65.03953	3.2
67.05508	48.9
69.03089	5.4
69.03432	67.3
69.07076	17.3
69.07372	3.0
69.22045	29.0
71.04987	6.2
73.02907	4.7
79.05492	33.8
81.03422	35.5
81.07056	46.4
83.08617	9.6
85.02909	100.0
91.05489	31.1
93.07043	42.8
95.04971	8.0
95.08604	36.5
97.02885	36.0
97.06562	5.3
99.04445	9.7
101.02364	7.2
102.94711	3.3
103.03902	3.5
105.07033	35.0
107.03352	3.0
107.04980	4.4
107.08588	25.4
108.04459	3.9
109.02876	10.5
109.06539	3.2
109.10165	13.3
109.67517	2.8
111.04457	6.4
115.03928	7.8
117.07047	15.3
119.08582	25.1
121.06459	4.8
121.10168	20.1
123.04372	3.9
123.11742	9.0
127.03925	56.6
129.07008	10.8
129.33467	2.9
131.08530	19.9
133.10138	23.8
135.08080	7.5
135.11685	13.4
137.09605	3.0
141.06969	3.7
143.08551	11.6
145.04950	30.4
145.10130	19.7
147.08061	5.1
147.11685	12.8
149.09628	5.6
149.13251	9.2
153.09131	3.5
155.08548	7.7
157.10110	13.3
159.08029	4.2
159.11723	13.0
161.13229	7.9
163.06009	6.0
163.11050	4.5
163.14806	3.8
169.10068	6.2
171.11684	10.6
173.13263	12.6
175.11269	3.4
180.08714	11.9
183.11656	7.6
185.13272	8.8
187.14799	5.8
195.11589	3.3
199.14854	3.7
211.14742	3.8
235.13190	4.0
243.21188	3.8
259.20605	7.7
261.22165	9.5
277.14304	4.8
279.23367	4.5
283.20602	4.5
285.22122	6.9
291.23157	7.9
301.21472	5.0
303.23160	16.5
313.21600	4.5
315.23230	7.1
319.22983	3.8
327.23160	4.2
341.24875	7.8
345.24277	4.1
351.23166	11.2
369.24219	35.4
387.25284	42.4
405.26312	37.6
423.27368	13.5
455.25320	3.2
561.25116	26.6
621.27039	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	620.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06135	0.3
53.03943	2.9
55.01860	0.8
55.05508	3.2
57.03426	0.7
57.07061	0.5
61.02909	0.7
65.03935	0.6
67.05490	1.3
69.03427	3.1
69.07072	7.8
70.06593	2.1
71.04982	1.2
71.49362	0.5
72.08157	0.9
73.02911	1.2
79.05491	1.7
81.03426	6.6
81.07054	4.2
83.04961	0.9
83.08627	1.4
84.08150	0.8
85.02912	9.2
85.06532	0.5
86.09689	1.4
87.00825	5.2
91.05482	4.8
92.29140	0.4
93.07043	3.5
95.04951	0.7
95.08611	4.2
97.02891	6.8
99.04457	3.8
101.05999	0.4
103.03949	1.0
103.05497	0.5
105.01885	2.9
105.07038	10.6
106.07362	0.5
107.08601	4.4
109.02888	13.2
109.06522	0.5
109.10142	1.6
111.08076	0.6
117.07029	1.3
119.08588	35.0
120.08122	0.9
121.06516	0.7
121.10152	1.8
123.08097	0.4
123.11697	0.6
125.09632	1.4
127.03923	13.4
127.07583	1.2
129.01848	0.5
129.10217	0.7
131.08530	1.1
133.10136	33.2
135.08070	0.6
135.11674	2.0
136.07597	0.6
137.09642	0.5
145.04982	3.2
145.10149	2.5
147.02898	0.8
147.11699	5.2
149.09624	0.5
159.02895	1.9
159.11751	0.7
160.12491	1.1
161.09572	0.5
163.06087	0.6
173.13258	1.3
175.14833	100.0
176.15205	1.4
177.16382	0.4
187.06065	0.4
213.03958	2.5
231.04985	4.6
238.33075	0.4
249.06195	0.9
273.06018	0.5
291.07239	1.2
295.06122	1.1
296.06406	0.8
301.21667	0.5
319.23007	0.7
354.10791	0.6
354.23831	0.5
357.08194	0.7
375.09015	0.5
393.10211	0.8
405.19138	0.5
439.48645	0.4
440.29968	0.8
620.28876	0.5
625.20081	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	23.1
57.07073	5.7
57.41363	4.3
62.06109	4.4
67.05502	26.1
69.07057	6.4
70.06584	12.2
70.61814	3.9
71.47881	7.4
72.08165	4.6
79.05482	5.4
81.07054	25.8
83.04978	7.1
83.08618	12.1
84.08128	5.9
86.09687	4.8
88.52091	3.9
91.05489	11.8
93.07048	18.5
95.08607	18.8
100.11269	57.5
105.07059	9.5
107.08615	13.4
109.06551	8.6
109.10152	15.6
111.04440	5.2
112.34690	4.9
117.47997	3.9
123.11749	5.1
135.11674	12.1
139.08681	4.3
147.04370	9.8
160.07677	8.2
182.15414	15.6
203.03432	59.0
204.16008	4.0
209.16469	14.7
210.14885	12.4
249.21861	4.9
266.24783	38.5
375.30194	6.3
601.46814	10.1
602.46600	8.4
619.47919	100.0
620.38251	6.6
620.48175	75.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.5297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.9
55.05518	22.8
57.03427	16.1
57.07084	53.1
57.07358	6.9
62.44320	3.9
65.03945	3.8
67.05180	6.3
67.05511	79.0
69.07067	23.1
70.97334	6.7
71.08649	29.6
79.05502	51.2
81.07067	91.1
83.08630	22.2
85.10172	16.1
87.04468	14.2
91.05489	15.3
92.72852	3.3
93.07057	58.2
93.87551	3.7
95.08619	84.5
97.10161	16.7
105.07043	18.1
107.08603	34.6
109.10155	25.7
117.07019	8.4
119.08597	21.4
121.10149	31.8
123.11724	14.1
131.08583	22.6
133.10153	14.5
135.11696	19.5
135.32426	3.8
137.13229	5.5
145.10130	12.3
147.11694	17.3
149.13284	21.5
159.11726	14.2
161.13268	9.0
163.14809	4.9
167.16273	4.0
173.13258	14.6
175.14754	4.6
177.39203	3.6
212.86749	4.6
217.33516	3.5
223.22809	3.8
233.22647	6.3
243.21149	15.3
261.22177	76.4
317.24738	14.1
335.25833	76.4
341.30521	100.0
369.14587	4.0
404.91019	3.9
472.35135	5.1
490.47339	4.2
507.40344	5.4
573.20856	3.9
601.51764	18.8
609.27753	4.7
619.43353	7.5
619.53046	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	619.3999
Annotation	Tabernaebovine
Peak:m/z	Relative Intensity
55.05513	4.0
57.07070	3.5
65.03942	1.6
67.05514	5.4
68.42241	1.0
69.07079	6.4
69.23669	9.3
71.08659	1.4
75.15906	1.0
76.08541	1.0
79.05502	4.4
81.07074	13.2
83.08623	6.4
87.04482	8.5
88.04792	1.5
91.05483	14.6
92.89462	1.0
93.07046	11.1
95.08612	24.0
105.07033	15.3
107.08602	21.0
109.10149	9.7
117.07051	2.0
119.04952	26.5
119.08592	25.3
119.98364	1.0
120.44759	1.0
121.10156	16.0
123.11744	6.9
129.07060	1.1
131.08572	5.5
133.10144	16.3
135.11710	10.0
138.58459	1.3
143.08553	2.8
145.10135	10.0
147.04420	100.0
147.11688	13.9
149.13266	7.1
152.49136	1.0
157.10078	1.9
159.11729	9.8
161.13264	7.9
163.14810	6.9
165.05482	27.5
171.11641	1.9
173.13309	7.4
173.35258	1.0
175.14830	9.6
177.16394	10.0
183.11655	2.2
187.14903	5.0
189.16383	19.6
189.17946	1.8
191.17860	4.8
199.14851	1.7
201.16415	20.1
203.17960	28.9
205.15897	2.4
207.17465	4.2
213.16409	5.9
215.17987	16.4
217.19542	3.3
219.17468	2.0
227.17952	1.6
229.19359	2.3
235.16910	2.8
241.19621	4.6
243.21049	2.2
247.17006	4.1
249.18536	2.9
253.19629	1.3
255.21100	2.5
259.17004	1.6
261.18561	7.0
267.21039	2.0
287.20007	1.3
299.19968	1.1
362.71390	1.2
391.33728	7.8
409.34671	9.4
411.32532	7.3
415.16498	1.3
419.19476	1.3
427.35873	1.2
437.34207	28.2
532.25354	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	619.2767
Annotation	azadirachtin I
Peak:m/z	Relative Intensity
50.40776	0.3
52.67775	0.3
53.03945	0.6
55.01875	2.3
55.05524	0.3
55.33609	0.2
55.93382	0.3
55.93646	0.3
56.56054	0.3
65.03928	0.8
67.05499	1.2
69.03448	0.7
69.07098	0.3
70.06590	1.1
70.73932	0.4
70.74268	0.6
72.08163	0.3
79.05487	0.9
81.03384	0.3
81.07045	0.5
82.06575	0.5
83.05064	0.4
84.08141	0.5
85.02906	0.4
86.09702	0.4
91.05475	1.6
92.26423	0.3
93.05779	1.1
93.06499	0.3
93.07041	2.0
94.06574	0.7
95.04969	0.7
95.08607	0.4
99.04392	0.4
105.07027	1.0
106.06579	0.5
107.07381	0.3
107.08593	0.6
108.07437	0.4
108.08123	4.5
109.02878	0.4
109.10252	0.3
110.06072	0.3
110.09681	1.7
118.06496	0.4
120.08101	1.7
121.10149	0.4
122.06018	0.7
122.09672	1.6
123.08006	0.4
125.09634	0.4
133.10123	0.7
134.05998	0.4
136.07584	30.9
138.09149	0.5
148.03996	0.4
148.07550	0.7
150.05513	0.3
150.09111	0.4
152.07069	1.1
155.08522	0.3
160.03906	1.2
160.07709	0.3
161.04745	0.9
161.07196	0.3
161.09673	0.9
162.05498	0.6
164.07069	7.7
166.08682	3.0
168.06651	0.4
168.08026	0.5
170.08345	0.4
170.09682	0.4
178.05020	3.2
181.08847	0.4
184.07628	0.3
185.07109	1.1
185.10727	0.6
186.09126	0.4
187.05098	0.8
195.09097	0.7
196.09891	0.6
197.10776	0.4
198.07759	0.6
199.08725	1.4
201.06613	5.0
201.10248	1.0
208.11230	0.4
209.10733	0.6
210.09244	0.4
210.11339	0.6
211.08679	1.0
211.12311	0.4
212.09206	0.4
213.06599	5.6
213.10175	3.4
215.08214	0.4
223.08621	0.8
224.09436	1.8
225.06520	0.4
225.10231	1.1
225.13837	1.2
226.10872	0.5
227.08107	2.0
227.11786	1.1
227.15396	0.5
228.06665	0.6
229.09662	2.5
231.07588	2.3
237.10275	1.2
237.13960	0.4
238.08737	0.7
238.10905	0.4
239.08162	0.6
239.11845	1.8
240.10352	0.4
240.12679	0.4
241.09747	3.9
241.13399	0.7
242.14191	0.5
245.09079	0.4
251.08228	1.0
251.11905	0.4
252.08966	0.6
253.13271	2.1
254.11720	1.1
255.07593	2.4
255.11337	3.3
255.14995	0.7
257.09232	1.4
257.12744	0.5
265.09735	1.3
266.08130	0.5
267.07736	0.4
267.11118	0.4
269.09192	5.6
269.12497	0.3
269.13116	0.3
271.14435	0.7
273.08582	0.5
273.16000	3.0
275.10287	0.8
281.12851	5.1
283.10773	6.8
283.13611	0.6
285.12231	0.7
287.10300	0.9
293.09186	1.8
299.13907	6.7
301.11917	1.0
303.13345	2.8
311.10269	33.1
329.11328	100.0
330.11685	1.0
347.12363	1.3
353.10553	0.4
422.20837	1.3
432.19171	0.6
438.20279	11.6
439.19980	0.4
450.20279	8.2
454.19467	0.5
543.07434	0.4
601.26526	5.5
619.29388	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.7
55.01832	2.2
57.03409	0.8
65.03905	0.7
65.86095	0.5
67.05459	2.5
69.03383	2.0
69.07027	1.9
70.06594	5.8
71.04965	1.4
71.47796	0.7
72.08105	2.1
73.02908	0.5
79.05447	1.7
80.04981	0.7
81.03374	0.6
84.04463	0.9
84.08117	1.1
85.02898	3.0
86.09680	2.8
91.05486	3.0
93.05745	1.7
93.06300	0.6
93.06999	2.0
94.06515	1.5
95.01234	0.6
95.04915	1.4
96.04485	0.8
97.02828	1.8
97.99908	0.5
99.04411	1.7
105.07034	13.7
107.04896	1.0
107.07276	0.9
107.08583	1.3
108.04435	0.9
108.08123	30.3
109.02854	0.8
109.06495	1.1
110.05976	0.7
110.09656	0.6
119.08526	1.6
120.08099	3.1
121.06495	0.6
121.10115	0.6
122.06001	1.4
122.09657	0.7
124.07540	1.4
125.09627	0.8
127.03918	1.3
131.08488	0.8
133.06435	2.0
133.10146	10.7
134.06023	2.7
134.09615	0.8
135.04382	0.7
135.06804	0.8
136.07585	58.5
137.06042	0.6
137.08221	0.6
138.05504	2.6
138.09094	1.9
140.07074	6.7
141.01746	0.8
143.07013	1.3
143.08540	1.2
144.38544	0.6
145.10052	0.9
146.05986	1.3
148.07590	9.7
151.07491	0.8
152.07034	2.3
154.08621	0.9
155.08202	1.3
159.07941	0.6
160.07603	0.9
161.05920	1.3
161.09624	12.3
162.09116	0.9
163.11153	1.5
164.07066	9.5
166.08560	0.9
168.06566	3.9
173.08061	1.6
174.09094	0.7
175.08658	0.7
177.03584	0.6
179.10614	0.9
185.10799	0.7
187.08615	1.8
189.09050	5.7
190.08607	2.1
196.11102	0.7
198.09091	1.3
199.08694	3.1
201.10295	3.1
207.10164	1.2
211.12231	0.6
212.09297	0.9
213.10292	3.2
214.10866	1.3
215.08130	1.8
215.11749	3.0
216.10321	0.7
218.08099	1.7
225.10164	3.7
226.08636	1.5
227.08241	1.4
227.11835	3.4
229.09679	2.3
229.13478	0.8
230.10353	0.9
231.11234	0.7
233.12833	0.7
235.13200	1.0
238.08672	0.7
240.12553	0.7
241.09698	2.3
241.13353	1.3
242.10379	1.5
243.11215	2.2
243.14883	0.7
251.11845	0.8
253.09836	0.8
253.14264	2.5
255.11330	16.4
257.12875	5.1
259.10825	1.8
259.14368	1.1
263.12808	3.0
265.11920	0.8
269.12930	4.7
271.14380	0.6
273.12442	0.8
275.13940	2.3
281.13895	7.1
285.12335	6.5
286.13181	1.3
287.13870	9.8
289.15439	1.3
297.12387	8.0
298.13187	1.3
299.13867	1.5
301.11758	1.8
302.12582	4.6
303.13324	4.1
311.13806	1.2
315.13385	100.0
316.13879	2.5
317.11493	0.9
317.14963	0.9
351.14435	1.2
370.17761	0.9
383.16092	2.5
404.19711	1.1
405.18076	1.4
408.18948	0.9
418.17633	1.2
422.20828	1.0
426.20151	2.5
428.21808	1.2
432.19241	1.7
433.17810	1.7
436.18652	2.5
437.19565	1.3
438.20020	1.5
443.19113	0.8
450.20520	4.2
454.19702	9.5
455.20779	4.1
456.21344	16.1
466.19849	0.9
573.27209	2.0
591.28156	5.9
601.26764	5.8
602.24872	0.8
619.27667	66.7
620.28088	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.26
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	15.4
55.01860	4.5
55.05504	5.8
57.03429	5.5
61.02896	2.7
64.69826	1.7
67.05499	6.4
68.99798	4.2
69.03436	22.5
69.07065	5.6
70.06595	12.8
70.54944	4.2
70.55292	2.2
71.04994	6.4
72.08137	2.8
73.02912	4.5
79.05485	4.7
81.03417	43.4
81.07047	8.1
83.04972	4.7
83.08598	2.4
84.08141	5.6
85.02906	50.1
85.06537	3.0
86.09702	8.1
87.00826	23.1
89.06026	6.8
91.05481	4.5
93.07044	9.6
95.04951	5.3
95.08624	13.4
97.02893	41.0
97.06544	2.9
99.04453	28.0
99.08088	6.3
100.84788	1.8
103.03930	8.8
105.01864	17.7
105.07035	13.7
107.04954	4.0
107.08584	19.6
108.99104	1.8
109.02885	78.1
109.06533	5.2
109.10169	8.6
111.08096	2.9
115.05508	2.5
119.08569	4.7
120.08085	4.6
121.06504	11.3
121.10143	17.4
123.08045	8.4
123.11707	1.9
125.06049	2.0
125.09642	7.7
127.03922	100.0
129.01834	4.6
129.10228	2.7
131.08583	6.9
133.10141	14.2
135.08064	8.3
136.07585	4.2
137.05968	17.3
137.09613	2.9
139.07465	2.0
145.04958	21.3
145.10086	2.0
147.02869	4.8
147.11739	3.7
149.09628	27.7
149.13268	9.9
151.11180	10.5
153.09117	1.9
159.02895	13.5
161.05984	3.2
161.09598	5.0
163.06064	3.1
163.14793	13.3
164.07088	2.0
169.04881	3.3
173.13266	11.0
175.07524	5.3
187.05988	2.6
189.09151	2.0
191.14316	29.8
209.15364	42.6
213.03964	12.7
227.16557	2.2
231.05013	29.9
249.06068	6.2
273.06104	3.1
281.14001	1.9
291.07254	10.5
291.10059	3.2
311.12881	4.1
315.13333	5.3
323.12732	2.4
357.08185	5.4
375.09167	6.7
383.15930	2.4
393.10416	5.7
439.31540	1.8
601.25330	2.9
619.27252	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	619.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.01864	2.2
57.03431	1.8
61.02926	1.0
66.04689	0.7
67.05518	0.8
68.99769	0.9
69.03432	6.1
70.06597	7.5
70.74443	1.8
71.04987	1.4
72.08176	0.9
73.02912	1.5
78.04717	2.0
79.05495	6.1
80.64883	0.7
81.03406	3.8
81.07048	1.3
83.04984	0.7
84.08137	1.3
85.02908	10.8
86.09704	2.8
87.00829	4.2
91.05492	3.7
93.07030	1.4
95.04967	1.9
95.08541	0.7
97.02901	4.2
99.04453	3.1
103.05457	3.1
104.06259	0.9
105.01865	2.6
105.03390	0.9
105.07043	10.9
106.04162	1.7
107.04305	1.1
107.04963	12.4
108.08147	1.4
109.02871	4.5
109.06503	0.8
115.05511	3.4
116.06277	1.4
117.07013	1.5
118.04092	0.7
119.08570	2.4
121.06478	1.6
122.03636	0.7
123.04441	4.6
123.61387	0.7
124.05236	3.5
125.05988	1.2
125.09614	2.4
127.03934	6.0
128.06236	2.3
129.01755	0.8
129.06996	5.6
129.10301	0.7
131.04950	4.2
132.05708	3.1
133.06500	6.8
133.10132	3.5
135.04417	0.8
136.07568	1.8
137.05959	2.1
143.04907	0.8
144.05716	1.8
145.05008	1.4
145.06413	1.4
147.08058	3.9
149.05925	1.9
152.04683	1.6
153.05444	2.7
156.05714	1.5
157.06474	1.5
159.02884	2.1
159.04382	0.9
159.08060	5.1
160.05159	1.3
161.05992	8.7
161.09604	3.9
163.11176	1.1
167.07043	100.0
168.07352	1.1
169.06389	1.0
171.08101	1.5
172.05199	2.5
175.07552	26.5
176.04695	1.5
177.05444	2.5
178.07779	1.1
179.07098	0.9
183.14949	0.7
184.05223	1.5
187.07553	18.5
189.07034	1.6
189.09068	4.4
190.07802	1.3
191.07051	11.2
191.08600	1.5
193.08636	1.6
197.05890	0.7
199.07512	8.9
202.07738	2.0
203.08598	3.5
205.06467	0.9
206.07298	1.8
207.08138	1.2
209.08104	3.0
215.08678	1.8
217.08464	1.1
218.07277	3.7
219.08083	2.4
220.08922	1.0
221.09720	3.5
229.06528	1.7
229.08597	1.2
231.04926	1.4
231.08089	2.9
232.08823	2.2
233.09618	4.6
234.06752	2.5
235.07565	2.6
243.08096	1.2
245.06013	0.9
246.06795	2.3
247.07579	1.6
248.08453	1.4
249.09122	6.1
250.09900	1.7
251.07086	1.2
253.14398	1.1
259.07672	1.2
260.08350	2.1
261.09137	6.2
262.09888	1.1
263.06995	2.7
263.12979	0.8
265.08688	0.8
266.09348	1.9
267.10394	0.8
274.06287	1.7
275.07022	1.4
275.10358	0.7
276.07690	1.1
277.08606	3.2
278.09436	2.4
281.11404	6.0
281.14389	1.2
288.07938	1.0
289.08618	7.5
290.09406	1.9
291.06549	1.7
291.10129	1.9
292.10974	0.8
293.08621	0.7
293.11813	2.8
294.08856	1.1
295.09763	1.6
306.08868	1.8
307.09717	2.1
309.11258	7.9
310.11746	1.0
315.13333	2.4
321.11249	12.3
322.11823	2.1
323.09106	1.3
325.14151	1.0
326.11514	2.6
338.11530	2.2
341.13846	32.2
353.13846	26.5
353.18277	1.0
365.13702	0.8
431.14410	0.8
456.21909	1.0
468.81882	0.8
619.27655	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	3.2
53.03938	5.3
55.01861	5.0
55.05278	2.9
55.05519	47.2
57.07080	8.3
65.03940	5.6
67.05173	2.7
67.05504	29.5
69.03434	11.5
69.06778	1.6
69.07076	16.7
70.09672	6.6
71.04990	7.1
79.05502	33.3
80.06279	2.9
81.06595	2.7
81.07065	48.6
83.04990	19.9
83.08628	59.9
85.02898	1.9
85.06528	6.9
87.04465	2.0
91.04909	2.1
91.05489	55.4
93.07053	60.9
95.04987	27.7
95.08614	34.0
97.06549	22.3
97.10162	2.2
99.04456	5.5
103.05474	6.4
104.06268	2.2
105.04531	2.4
105.07040	100.0
107.04952	5.0
107.08600	65.0
108.09447	2.1
109.06524	15.4
109.10165	22.8
111.08069	8.7
113.09678	9.3
115.05454	7.5
116.06219	2.5
117.07026	23.6
118.07776	2.5
119.04973	1.9
119.08600	81.9
120.09360	3.1
121.06509	11.5
121.09336	3.5
121.10155	54.5
123.08078	16.1
123.11707	5.8
125.05988	2.2
125.09662	19.5
128.06223	12.4
129.07019	21.4
130.07802	7.5
131.08580	48.7
132.09317	3.6
133.06566	2.4
133.10139	50.3
135.08057	11.3
135.11707	8.3
137.09610	5.8
139.11208	15.2
141.07010	11.0
142.07790	27.4
143.08575	47.6
144.09370	11.6
145.06480	5.4
145.10139	69.1
146.10832	2.0
147.08076	13.6
147.11694	23.8
149.09654	18.0
149.13252	3.7
151.11154	3.6
153.06996	4.2
153.09024	2.1
153.12779	2.9
154.07750	3.5
155.06071	2.1
155.08578	26.6
155.10616	10.8
156.09367	23.4
157.10135	63.4
158.07294	2.2
158.10869	8.2
159.08089	15.0
159.11702	32.1
160.08856	14.2
160.12332	1.9
161.09627	14.0
161.13271	7.0
163.11201	8.4
165.07057	9.3
165.09171	2.0
165.12746	3.9
166.07864	2.3
167.08566	15.0
167.10672	17.6
168.09332	6.4
169.10127	31.3
169.12279	3.6
170.10928	11.0
171.08061	4.0
171.10258	3.4
171.11676	37.4
172.12454	3.6
173.09628	11.1
173.13269	19.5
175.11188	13.8
175.14809	4.1
177.12825	2.9
178.07797	4.2
179.08597	15.8
179.14299	6.4
180.09366	6.3
181.10126	20.8
181.12234	22.3
182.10951	11.5
183.11705	22.0
184.12450	7.0
185.09627	4.6
185.13251	23.5
186.14099	3.0
187.11162	5.2
187.14847	7.2
189.12766	7.6
190.13499	3.9
191.14322	10.4
192.09386	6.3
193.10129	16.6
194.10973	10.4
195.11749	24.2
195.13522	3.3
196.12485	11.4
197.09543	3.4
197.13278	38.2
198.10551	2.3
198.13942	2.3
199.11176	5.9
199.14803	14.8
201.12694	3.9
201.16394	3.0
203.14282	6.2
205.10162	4.3
206.10902	5.5
207.11673	15.3
207.13808	6.5
208.12440	8.6
208.14410	3.1
209.09731	2.3
209.13330	20.9
209.15219	2.9
210.14006	5.6
211.11163	3.4
211.14856	16.0
212.15596	4.7
213.12788	8.5
213.16373	6.9
215.14288	13.3
217.15924	2.6
218.10928	2.7
218.16679	4.0
219.11673	7.8
220.12479	6.0
221.13257	15.2
221.15366	19.7
222.14012	5.0
223.14874	15.4
224.15520	2.2
225.12772	6.5
225.14850	18.0
225.16559	5.1
227.14294	8.2
227.17677	2.0
231.11597	3.8
231.17487	3.8
232.12447	3.3
233.13324	5.0
233.15370	38.4
234.13988	4.2
234.16138	4.6
235.14877	13.5
235.16856	2.6
237.16609	10.6
239.14316	3.7
239.17995	4.1
241.15828	2.8
243.17365	2.2
244.12433	3.0
245.13205	3.9
246.13994	4.3
246.16216	2.4
247.14795	6.6
247.16978	5.0
248.15601	1.9
249.16531	10.1
251.17955	4.8
253.15810	4.1
253.19586	2.7
255.17474	31.5
257.19025	4.0
259.14706	4.2
260.15475	3.8
261.16354	7.9
263.18112	8.1
265.19531	7.2
267.17743	3.4
268.18256	5.0
269.19040	5.7
270.19641	8.4
271.17197	2.0
271.20496	5.3
273.16110	3.1
273.18573	4.6
275.17981	5.6
277.19513	3.7
279.17484	3.2
281.18958	5.3
282.19702	4.8
283.20575	6.4
285.18753	2.5
286.19321	3.8
287.20184	4.4
289.19452	4.1
291.21088	2.7
293.19055	2.8
294.19830	3.6
295.20532	4.1
297.18726	2.7
298.19458	2.3
299.20081	4.7
300.20779	1.8
301.19403	2.4
307.20386	3.2
309.22168	2.9
319.20621	3.3
322.22897	2.0
327.21216	2.0
329.22522	2.7
331.24084	2.1
333.22000	2.1
335.23755	2.2
337.25314	5.4
345.22098	2.9
347.23648	3.8
349.25247	4.5
352.24023	2.0
352.48557	1.9
360.24344	3.5
365.24756	5.8
367.26440	6.7
373.25424	2.2
381.25995	2.0
383.25732	10.1
399.26746	3.0
401.28461	3.8
414.29257	2.9
429.31378	3.6
457.30887	4.8
539.22180	3.8
567.38489	1.8
582.40057	4.0
600.41168	3.6
618.26599	3.9
618.36560	10.3
618.44244	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	618.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	2.1
53.03952	6.9
55.01874	2.9
55.05512	46.6
57.07071	6.4
58.08241	1.8
62.16305	1.9
65.03931	6.2
67.05506	29.7
69.03432	12.1
69.07081	16.8
69.14664	1.9
70.61573	4.5
71.04987	7.5
71.55756	1.8
77.03893	2.6
79.05501	35.3
80.06271	3.3
81.07063	53.2
83.04995	18.4
83.08624	61.1
85.02923	3.0
85.06539	8.4
91.05487	53.8
93.06483	4.0
93.07049	62.4
95.04978	33.3
95.08051	3.6
95.08612	35.3
97.06539	21.9
99.04459	5.6
103.05474	5.2
105.07037	100.0
107.04951	6.9
107.07880	4.1
107.08601	66.7
109.06529	16.6
109.10178	27.9
111.08069	8.6
113.09634	10.1
115.05463	6.3
116.06291	2.3
117.07020	21.8
119.08588	85.3
120.09415	2.7
121.06503	14.9
121.10150	51.2
123.08083	20.3
123.11726	5.9
125.09646	20.6
128.06203	18.8
129.07030	22.6
130.07825	10.7
131.08580	46.0
132.09340	6.0
133.06516	5.0
133.10138	52.4
135.08044	15.8
135.11684	9.2
137.09607	6.4
139.11197	15.9
141.06993	9.1
142.07780	27.6
143.08563	50.0
144.09326	9.2
145.06499	7.6
145.10133	70.2
146.10834	2.8
147.08070	14.9
147.11687	22.8
149.08626	2.7
149.09573	14.0
149.13275	4.9
151.07527	4.9
151.11232	3.8
153.06995	5.0
153.09071	2.7
154.07750	5.6
155.08566	18.9
155.10623	15.6
156.09358	22.0
157.10135	64.2
158.10872	6.7
159.08060	15.3
159.11710	36.4
160.08849	11.0
161.09648	15.9
161.13269	5.5
163.11238	9.9
165.07007	6.7
165.09200	2.4
165.12845	2.6
166.07785	3.4
167.08565	13.6
167.10670	21.2
168.09357	6.9
169.10129	31.5
170.10922	12.1
171.08090	3.4
171.10254	3.2
171.11696	35.4
172.12398	4.4
173.09644	9.8
173.13234	17.1
175.11197	12.5
175.14844	5.4
177.12735	2.9
178.07758	2.7
179.08568	13.2
179.14339	6.3
180.09338	7.9
181.10152	21.4
181.12251	25.0
182.10936	15.1
183.11711	27.3
183.13376	3.5
184.12465	5.6
185.09669	3.9
185.13274	21.9
186.10359	2.7
186.14035	3.1
187.11122	5.1
187.14847	8.3
189.12744	4.9
190.13614	3.7
191.14317	7.4
192.09402	3.4
193.10156	17.7
194.10959	6.6
195.11746	26.1
195.13531	3.2
196.12492	11.4
197.09589	4.2
197.13272	40.2
198.14091	4.7
199.11165	9.3
199.14870	15.4
201.12781	4.5
201.16368	3.8
203.08578	2.5
203.14316	7.9
205.10277	3.2
206.10930	6.3
207.09946	2.0
207.11687	14.8
207.13762	5.1
208.12447	6.6
208.14374	3.6
209.09666	2.2
209.13287	25.8
209.15173	4.3
210.14037	3.6
211.11284	4.7
211.14818	16.0
212.15530	3.0
213.12782	7.7
213.16397	7.5
215.14293	19.2
217.10172	2.8
217.15961	5.4
218.10832	4.0
218.16681	3.1
219.11732	6.2
219.13741	2.9
220.12462	6.9
221.13271	15.7
221.15393	20.9
222.13864	4.0
223.11470	3.1
223.14841	16.2
225.12746	5.4
225.14835	13.8
225.16536	6.4
227.14293	6.0
229.15814	4.4
231.11601	3.0
231.17419	2.8
232.12367	3.6
233.13252	7.6
233.15352	34.8
234.13840	4.2
234.15991	3.1
235.14854	12.7
236.15544	2.8
237.12741	2.7
237.16516	10.4
239.14151	3.1
241.15849	5.4
244.12633	3.0
245.13310	6.5
246.14032	4.2
246.16281	2.9
247.14809	7.5
247.16997	5.4
249.16353	9.7
251.18025	5.4
253.15892	5.6
253.19589	3.4
255.17488	33.8
257.19077	2.6
258.13953	2.5
259.14862	3.4
260.17917	2.6
261.16519	10.4
263.17953	6.8
265.15961	2.5
265.19443	7.7
267.17404	4.2
268.18222	3.6
269.18982	5.9
270.19861	8.2
273.16180	3.1
273.18619	5.8
275.17944	5.7
277.19305	3.0
279.46671	2.5
281.18970	6.8
282.19730	3.9
283.20590	5.0
285.18610	6.1
286.19287	5.6
287.20178	6.0
289.19409	5.8
293.18936	3.3
294.19754	2.5
295.20499	5.2
296.21378	2.3
297.18671	2.8
297.22183	2.6
298.19168	2.6
299.20032	7.1
301.21973	3.0
303.20868	2.4
307.20554	4.2
311.20120	3.9
331.24356	3.2
334.22711	3.8
335.23700	2.9
337.25177	8.0
347.23669	4.4
349.25226	4.5
361.25385	3.6
365.24698	8.4
367.26254	5.1
373.25284	3.0
383.25787	12.8
414.29141	2.9
429.31580	2.3
457.30865	5.6
539.22284	6.4
567.37842	3.0
600.41870	3.8
618.25293	4.1
618.43152	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.428
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	3.1
53.03948	9.8
55.01873	6.6
55.05516	46.1
57.07082	10.3
59.05014	3.0
63.05466	2.6
65.03953	4.3
67.05509	28.7
69.03430	11.3
69.07077	15.4
69.79707	10.6
71.05003	11.8
77.03972	2.7
79.05497	35.9
81.07059	56.7
81.93973	3.5
83.05002	13.3
83.08626	62.6
83.24955	2.7
85.06556	10.8
87.04497	5.7
91.05484	55.1
93.07051	67.7
95.04983	27.8
95.08614	34.8
97.06537	26.3
98.21423	3.2
99.04466	7.7
103.05483	4.0
105.07041	100.0
107.04955	4.8
107.08605	65.5
109.06515	18.9
109.10169	30.3
111.08096	8.6
113.09652	12.3
115.05478	8.3
117.07013	19.4
119.08598	96.4
120.09388	7.7
120.99068	3.0
121.06512	10.5
121.10143	44.1
123.08089	25.7
123.11738	7.2
125.09653	19.1
126.11098	2.6
128.06233	12.8
129.07007	25.8
130.07794	12.1
130.42545	3.0
131.08580	55.7
132.09354	7.0
133.06456	4.7
133.10153	46.0
135.08093	16.4
135.11703	10.8
137.09663	13.5
139.11201	14.2
141.06999	11.4
142.07809	25.7
143.08575	42.7
144.09370	16.6
145.06497	7.7
145.10139	82.7
146.07301	4.8
146.10913	3.4
147.08075	22.8
147.11708	21.7
149.09621	16.4
151.07608	7.7
151.11156	3.1
153.06972	5.4
154.07814	8.5
155.08574	21.6
155.10661	13.3
156.09335	22.7
157.10133	70.3
157.11339	5.1
158.10910	11.5
159.08080	16.0
159.11716	41.9
160.08859	18.7
161.09634	17.2
161.13290	6.8
163.11203	11.1
165.07022	6.9
165.09146	15.8
165.12761	6.4
167.08588	10.8
167.10672	14.4
168.09296	3.3
169.10114	33.4
170.10905	9.4
171.07988	3.3
171.10298	6.6
171.11705	38.4
172.12463	6.4
173.09639	11.4
173.13272	20.2
175.11237	15.9
175.14885	4.6
177.44963	2.5
179.08591	9.8
179.10704	4.2
179.14389	4.4
180.09436	7.1
181.10135	16.4
181.12228	25.2
182.10858	13.2
183.11734	27.8
183.13379	4.2
184.12468	6.3
185.09648	5.9
185.13246	23.6
186.14038	4.0
187.11235	9.1
187.14851	12.1
189.12840	9.9
190.13562	9.0
191.14354	10.6
193.10167	12.3
193.12126	6.0
194.10997	14.0
194.12552	2.5
195.11691	22.8
196.12474	12.9
197.09625	3.7
197.13300	32.5
198.13976	4.8
199.11246	9.3
199.14890	16.6
201.12764	6.0
203.14278	14.7
205.10184	3.8
206.10934	6.9
207.11739	14.3
207.13858	11.6
208.12617	7.0
208.14606	10.9
209.13330	26.0
209.15154	5.2
210.13852	6.6
211.11267	2.9
211.14864	16.8
213.12775	8.6
213.16397	6.7
215.14426	16.3
218.11053	4.3
219.11659	7.3
220.12463	5.3
221.13269	13.7
221.15335	60.0
222.13986	5.7
223.14839	19.5
224.15720	4.6
225.12640	6.7
225.14873	18.6
225.16736	6.2
227.14378	6.3
229.15889	4.9
231.11742	3.0
231.13852	4.1
233.13196	7.1
233.15431	29.5
234.13922	4.7
234.16136	12.4
235.14890	8.9
237.12755	5.4
237.16640	6.5
237.78867	2.9
239.14287	3.8
239.17932	6.1
245.13176	5.1
245.15625	3.2
246.14067	4.0
247.14722	4.5
247.16974	13.2
249.16476	9.7
251.17912	5.7
253.15916	3.5
255.17447	20.0
261.16315	3.6
263.17969	6.3
267.17609	3.4
269.18903	7.2
270.19708	5.3
271.17160	4.4
271.20389	3.3
273.18619	3.9
281.18945	3.6
286.19202	7.7
287.20120	29.2
295.20685	4.3
299.20026	12.3
305.57709	3.0
313.21741	5.2
325.21658	10.5
337.21667	7.4
339.23291	3.5
352.23993	50.5
365.24713	11.6
367.26471	4.3
383.25671	7.1
395.26038	4.0
438.31479	4.0
472.31839	5.6
475.31610	3.3
484.25351	4.3
520.35126	3.1
525.35583	5.2
538.36688	68.8
575.15436	2.8
600.41895	3.3
618.43225	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	618.428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.0
53.08541	1.6
55.01855	3.0
55.05518	26.2
55.18063	2.0
57.07082	13.6
57.11612	1.8
59.04996	2.9
65.03926	2.4
67.05505	18.1
68.63480	1.8
69.03427	7.7
69.07063	8.3
69.71196	7.5
69.71610	3.3
71.04994	4.4
74.65727	1.8
79.05500	19.7
80.06274	2.1
81.07066	32.9
83.04978	7.7
83.08632	36.0
84.08958	2.3
85.06545	6.8
87.04478	40.0
91.04948	1.5
91.05484	32.2
93.07053	36.1
95.04972	19.8
95.08611	21.0
97.06558	14.2
98.20824	4.0
99.04463	4.6
103.05504	3.1
105.04578	2.1
105.07041	55.0
107.04932	3.3
107.08608	35.4
109.06530	14.4
109.10179	10.9
111.08111	3.8
113.09654	5.2
115.05450	2.9
117.07030	13.6
119.04964	3.9
119.08597	50.0
121.06518	11.8
121.10152	29.9
122.07285	2.6
123.08092	19.9
123.11689	3.0
125.06002	5.0
125.09641	10.4
128.06236	5.7
129.07033	12.8
130.07814	4.6
131.08572	30.2
132.09358	4.4
133.06494	3.1
133.10141	27.6
135.08102	12.7
135.08963	2.5
135.11667	6.3
137.05994	2.7
137.09607	8.1
139.07542	3.0
139.11197	5.9
141.06992	4.1
142.07779	13.1
143.08585	32.8
144.09352	12.4
145.06519	2.9
145.10144	47.2
145.11288	2.4
147.08072	19.7
147.11716	9.5
149.09709	8.9
151.07535	10.9
155.08572	11.2
155.10693	4.3
156.09346	11.3
157.10147	47.8
158.10870	7.5
159.08098	5.7
159.11710	26.7
160.08839	12.9
160.12442	2.3
161.09610	10.6
161.13255	3.9
163.11208	11.7
165.06998	3.2
165.09126	26.6
166.07803	2.6
167.08542	3.9
167.10622	2.5
168.09363	4.1
169.10138	14.5
170.10896	7.1
171.10228	2.7
171.11673	25.6
172.08862	2.2
172.12514	6.1
173.09662	7.5
173.13271	9.9
175.11174	12.8
175.14842	2.8
177.09206	2.2
178.09923	1.9
179.08557	7.1
179.10725	2.4
179.14334	3.0
181.10152	9.6
181.12231	12.3
182.10960	5.4
183.11684	14.2
183.13826	2.6
184.12425	2.0
185.09578	4.2
185.13269	9.0
187.11195	6.0
187.14841	4.5
189.12758	6.2
190.13498	7.9
191.10735	3.7
191.14282	2.7
193.10210	4.8
193.12239	7.6
194.10896	5.4
195.11694	12.7
195.13423	2.0
196.12465	3.9
197.09740	3.6
197.13235	8.9
198.10359	2.7
199.11174	5.9
199.14844	4.4
201.12761	4.3
203.14265	12.8
207.11696	8.3
207.13832	11.2
208.12534	3.7
208.14589	10.4
208.16330	2.0
209.13261	11.6
209.15245	3.2
210.10434	2.1
211.11276	2.9
211.14781	7.4
213.12735	5.9
213.16040	2.0
214.13495	1.9
216.14983	1.8
219.11798	3.4
219.13805	4.5
221.13321	5.4
221.15372	56.7
223.11302	2.1
223.14847	7.7
224.15617	3.5
225.14671	12.9
225.16757	2.9
227.18034	2.7
227.28557	2.2
229.16061	2.1
231.13826	5.3
233.13437	3.5
233.15456	7.4
234.16101	14.8
235.14624	5.0
237.12785	3.8
237.16360	3.5
239.14304	3.0
239.18108	2.3
241.15944	2.1
247.14766	3.2
247.16983	11.0
249.16486	3.5
251.14388	2.7
253.16046	3.5
261.18674	2.3
263.18097	2.2
265.15930	2.5
271.16891	3.4
273.18521	4.4
274.19476	3.4
281.19040	2.7
283.16931	1.9
286.19196	3.4
287.20078	47.6
297.18506	3.8
299.20139	10.8
300.20917	2.5
303.19727	2.7
310.19202	2.1
311.20367	3.0
312.20776	2.0
313.21887	4.5
319.20532	2.5
325.21622	13.3
329.20956	4.3
337.21695	8.9
339.23285	4.7
352.24002	69.7
353.24576	4.5
365.24661	16.4
367.26505	3.8
391.26227	2.7
395.25766	7.8
472.31848	4.2
480.32040	2.4
525.35730	7.6
538.36566	100.0
539.37231	3.2
600.40594	2.6
618.42676	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	618.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.7
53.84734	2.6
55.01873	5.5
55.05515	46.8
57.07077	10.3
59.04968	3.1
65.03946	6.6
65.42460	2.7
67.05513	29.8
69.03419	11.9
69.07066	19.4
69.92641	2.8
71.04990	11.1
71.48703	4.4
79.05497	44.8
81.07062	59.9
83.04977	18.7
83.08153	6.0
83.08622	76.9
83.09119	4.1
85.06549	10.4
87.04477	7.0
91.05476	54.9
91.06026	4.5
93.06480	5.7
93.07047	72.1
95.04965	25.1
95.08596	43.9
97.06540	26.6
99.04466	9.6
102.09319	3.4
103.05429	3.6
105.04450	2.9
105.07027	94.4
107.04951	7.9
107.08601	72.5
108.08882	3.8
109.06512	20.8
109.10155	31.0
111.08076	14.0
113.09645	13.5
115.05482	8.0
117.07012	21.8
119.08582	100.0
120.09386	5.1
120.81794	2.8
121.06525	13.1
121.10147	57.3
123.08072	37.7
123.11699	9.4
125.09641	26.9
128.06239	13.9
129.07007	25.5
130.07787	8.0
131.08578	46.6
132.09349	5.9
133.06526	5.3
133.10139	52.9
134.10936	4.4
135.08070	11.4
135.11728	11.4
137.09619	10.4
139.11205	19.1
141.06953	14.5
142.07796	26.1
143.08566	52.9
144.09373	13.8
145.06487	8.9
145.10124	94.3
146.10938	3.7
147.08031	10.8
147.11697	25.9
149.09630	11.1
149.13260	5.2
151.11197	4.8
153.07060	4.5
154.07817	8.2
155.08575	30.8
155.10652	17.9
156.09312	19.0
157.10133	70.0
158.10898	11.8
159.08081	15.3
159.11700	45.6
160.08820	18.4
161.09581	15.4
161.13264	12.1
163.11179	9.4
165.06926	6.1
165.09108	4.3
166.07782	5.4
167.08539	11.3
167.10692	22.3
167.14355	3.3
168.09373	9.3
168.11086	3.2
169.10121	33.1
170.10947	11.7
171.08359	2.7
171.10202	8.0
171.11705	48.9
172.12482	4.3
173.09595	6.8
173.13248	21.4
175.11221	15.3
175.14796	7.1
179.08560	12.3
179.14328	5.2
180.09331	10.7
181.10143	22.3
181.12228	28.1
182.10921	9.4
183.11678	32.0
184.12512	8.5
185.13234	21.2
186.14142	5.2
187.11150	6.8
187.14836	11.6
189.12747	3.5
190.13466	4.0
191.14305	8.6
192.09355	4.6
193.10115	15.0
193.11787	2.8
194.10927	11.3
195.11711	26.8
195.13542	4.5
196.12411	10.2
197.09608	4.0
197.13264	40.3
198.13966	3.5
199.11182	4.8
199.14827	13.0
200.15576	4.2
201.12852	4.8
201.16435	4.8
203.14258	4.6
205.10229	3.5
206.10870	6.4
207.11754	18.0
207.13791	8.2
208.12532	9.0
208.14621	5.1
209.13283	27.8
209.15228	5.3
210.13971	8.4
211.14751	17.5
212.15440	3.0
213.12767	7.5
213.16441	5.9
215.14330	15.7
217.15837	5.2
218.11000	3.6
219.11813	7.7
219.16919	2.9
221.13272	15.4
221.15407	27.6
222.13777	3.8
223.14783	22.0
224.15466	3.5
225.12778	5.3
225.14581	18.9
225.16687	6.6
227.14459	4.6
228.14960	4.4
229.15915	4.7
231.11537	4.2
232.12558	3.2
233.13193	8.9
233.15407	30.6
234.13901	4.1
234.16060	7.7
235.14867	11.2
237.16422	8.8
239.14368	4.0
239.18034	5.5
241.15901	4.8
245.15385	3.5
246.13919	3.4
247.14819	7.1
247.17047	5.5
249.16388	7.7
251.17978	7.0
253.15794	3.0
255.17465	20.5
257.19089	5.3
258.13950	3.8
259.14758	3.8
260.15646	3.3
261.16354	6.2
262.16977	3.2
263.18048	8.6
265.19498	3.8
270.19852	4.9
271.20483	3.5
273.18716	6.0
275.17807	7.2
277.19269	4.8
279.17389	3.6
280.74472	3.6
281.18970	4.3
285.18488	5.2
286.19135	5.5
287.20050	8.7
289.19525	7.9
299.20041	4.0
331.24332	3.7
337.25107	6.1
347.23434	4.6
349.25070	5.4
352.23932	4.0
365.24771	6.3
367.26306	5.5
383.25769	9.7
399.26813	4.6
455.15698	5.4
456.16071	10.1
458.21155	7.7
470.17462	10.3
484.18747	4.2
485.19272	7.3
495.82910	3.3
558.22858	26.6
586.22211	10.1
600.41205	6.8
618.24402	29.3
618.42334	18.4
618.51233	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	618.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.3
55.01862	4.2
55.05515	35.6
57.03452	3.5
57.07061	10.4
59.04993	3.6
65.03927	3.7
67.05247	3.0
67.05518	33.2
69.03422	10.0
69.07063	16.0
70.56656	6.3
70.56976	3.9
71.04964	5.3
79.05502	38.7
81.07060	57.2
83.04985	22.6
83.08627	57.2
83.34251	3.0
85.06540	6.9
85.68151	2.6
87.04456	8.2
91.05481	55.8
91.19834	3.0
93.07049	68.1
95.04988	35.3
95.08611	41.2
95.59437	2.8
97.06536	23.6
98.06425	2.8
98.97597	4.4
103.05451	6.4
105.06311	5.2
105.07034	100.0
107.04951	6.4
107.08605	58.4
108.05757	3.3
109.06551	14.5
109.10171	25.8
110.07323	4.1
110.36220	2.7
111.08080	7.5
113.09625	10.7
115.05442	5.8
116.06202	3.0
116.46175	3.1
117.07036	23.3
119.08588	87.3
120.09358	3.2
121.06499	13.8
121.10152	46.1
123.08080	18.3
123.11711	8.7
125.09652	16.7
128.06233	14.3
129.07021	22.2
130.07785	8.4
131.08574	42.8
132.09377	6.9
133.06564	4.6
133.10136	50.2
135.08034	12.8
135.11684	11.0
137.09602	8.9
139.11180	14.2
141.06978	12.0
142.07791	21.8
143.08566	44.8
144.09312	14.4
145.06494	4.7
145.10135	81.4
147.08047	11.0
147.11703	21.3
149.09595	13.4
151.11253	4.2
153.07051	3.6
155.08592	18.9
155.10660	12.4
156.09355	23.7
157.10144	68.3
158.07266	4.0
158.10875	10.2
159.08041	11.6
159.11699	34.8
160.08833	10.1
161.09605	17.6
161.13251	7.8
163.11162	10.5
165.06967	8.0
166.07689	4.1
167.08559	11.1
167.10699	16.3
168.09344	7.8
169.10144	31.4
170.10863	8.7
171.10413	5.1
171.11687	36.1
173.09698	7.1
173.13254	18.7
175.11186	11.7
175.14839	6.1
179.08534	14.1
179.14230	5.1
180.09372	5.2
181.10164	18.7
181.12222	25.4
182.10927	11.9
183.11725	27.3
184.12410	4.2
185.09645	6.1
185.13269	18.2
186.14104	5.4
187.11208	7.3
187.14781	8.7
189.12752	7.4
191.08485	3.8
191.14290	9.9
192.09401	4.0
193.10141	13.4
194.10857	9.8
195.11696	28.7
196.12483	8.7
197.13258	35.4
198.14008	4.7
199.11142	6.5
199.14809	13.4
203.14297	7.0
206.10884	6.5
207.11691	15.8
207.13672	5.1
208.12505	8.7
208.14465	4.7
209.09454	3.1
209.13289	28.4
209.15167	5.2
210.13754	4.4
211.14818	15.7
213.12756	9.8
213.16383	8.3
215.14340	18.3
217.15944	5.0
219.11658	7.7
220.12413	3.7
221.13261	17.1
221.15392	19.4
222.13992	6.0
222.15863	4.0
223.14839	11.7
225.12857	6.3
225.14845	13.4
225.16711	4.6
227.14442	4.8
231.11566	3.7
232.12422	3.8
233.13277	5.1
233.15372	41.9
234.16176	3.6
235.14844	7.2
237.16374	13.5
246.14058	4.4
247.14702	5.3
247.17035	4.1
248.15607	4.1
249.16341	9.1
251.17871	6.6
255.17479	28.8
257.18936	6.6
259.14716	5.2
261.16260	7.0
265.19528	7.1
269.19110	5.6
270.19757	6.1
273.18503	6.6
275.17969	5.4
282.19757	5.5
286.19180	4.0
287.20428	3.8
289.19492	4.9
295.20746	5.7
299.20270	5.2
309.22171	5.0
315.20932	3.6
319.19614	3.9
323.23645	3.7
331.24054	3.5
337.25214	5.6
349.25198	6.0
365.24640	11.0
367.26303	3.6
383.25821	9.4
385.94034	3.1
393.28030	4.5
414.28937	3.6
600.41113	4.6
618.42523	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	618.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.1
53.67430	4.1
55.01906	4.5
55.05513	58.2
56.05809	5.5
57.07082	20.7
59.05009	9.2
67.05505	38.6
68.55792	4.4
69.03429	13.3
69.07075	24.9
70.88644	7.7
71.04982	9.4
71.08633	11.8
76.08505	4.8
77.03943	4.1
79.05504	35.8
81.07062	58.7
82.94063	4.7
83.04976	17.7
83.08624	72.7
85.06548	11.8
87.04470	63.2
89.34396	4.0
91.05487	55.5
93.07044	70.5
94.07365	5.7
95.04957	23.5
95.08608	38.2
97.06535	32.2
99.04433	4.5
99.08115	4.9
102.07791	4.2
103.05470	6.5
105.07040	100.0
106.07327	5.5
107.08606	66.3
109.06527	19.5
109.10172	32.7
111.08068	8.4
112.37380	3.9
113.09649	7.1
115.05456	10.2
115.33772	4.2
117.07012	21.3
119.08585	86.2
121.06506	16.0
121.10156	45.7
123.08065	37.3
125.09638	20.5
128.06244	7.8
129.07011	23.3
130.07819	9.6
131.08589	44.3
133.10130	52.5
135.08040	12.9
135.11719	10.1
137.09644	8.5
138.23985	4.2
139.11192	10.4
141.07025	10.0
142.07755	20.2
143.08554	48.3
144.09317	13.1
145.06480	7.0
145.10129	77.6
146.10851	8.4
147.04369	5.3
147.08063	17.0
147.11696	31.5
148.08562	4.0
149.09642	15.5
149.13295	5.5
151.07523	17.0
153.26588	4.0
155.08557	15.8
155.10637	20.3
156.09315	28.6
157.10126	66.2
158.10768	12.4
159.08080	15.9
159.11691	48.8
160.08878	25.6
161.09601	11.0
161.13263	8.6
163.11217	11.1
165.06990	8.6
165.09131	13.8
165.12704	7.5
167.08510	8.8
167.10652	4.8
168.09296	5.4
169.10158	34.3
170.10872	7.3
171.10291	7.6
171.11688	41.7
173.09558	7.9
173.13269	14.9
174.21515	4.3
175.11305	11.1
177.12627	5.4
179.08525	6.0
179.14369	6.7
180.09171	6.8
181.10149	11.9
181.12224	26.2
182.10916	10.2
183.11746	25.4
183.13188	4.2
184.12288	6.2
185.13293	20.6
186.14046	8.0
187.11243	6.7
187.14871	10.0
189.12697	7.0
191.14314	6.8
193.10033	10.3
194.10846	8.4
195.11729	25.1
195.13516	5.6
196.12418	12.4
197.13245	30.7
198.13795	6.7
199.14841	17.0
203.14371	10.6
206.10846	5.9
207.11792	9.9
207.13789	10.1
208.12463	6.8
209.13245	19.5
210.14006	8.6
211.14903	23.5
212.15533	4.6
213.12679	6.6
213.16412	5.8
215.14447	5.6
220.12453	9.6
221.13181	13.4
221.15366	43.6
222.15787	6.7
223.14845	14.5
225.14609	22.9
227.14345	6.7
233.13310	5.8
233.15398	20.1
234.13724	5.1
234.16058	11.4
235.14709	10.6
237.16571	6.7
239.18094	6.8
241.15836	4.7
245.13255	6.0
247.17044	8.2
249.16330	6.9
261.16251	7.0
263.17865	6.2
275.17935	7.1
286.19080	8.8
287.20218	12.4
299.20081	14.5
325.21725	5.9
349.25415	5.3
352.24066	13.6
365.24704	5.8
524.02863	4.3
538.36328	19.6
600.41315	8.6
618.42816	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	618.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40213	2.5
53.03938	5.1
55.01877	2.4
55.05513	23.7
57.07071	8.1
62.11568	2.1
65.03914	2.1
67.05508	12.7
67.05801	1.9
69.03422	6.5
69.07068	7.4
74.87988	2.0
79.05499	15.9
80.68160	2.0
81.07058	27.7
83.04987	4.9
83.08627	34.6
85.06552	6.4
87.04478	18.4
91.05481	25.4
93.07051	36.0
95.04965	15.7
95.08601	20.7
97.06528	10.0
99.04446	2.7
105.07033	46.7
105.07706	4.8
107.04952	3.6
107.08595	33.7
109.06519	9.2
109.10147	12.4
111.08113	4.9
113.09619	3.3
117.07028	13.4
119.08595	52.7
120.07998	2.1
121.06480	7.0
121.10140	18.4
121.68650	2.4
123.08083	18.3
125.06037	4.6
125.09657	7.0
128.06186	5.5
129.07025	12.3
131.08571	26.3
132.09386	3.2
133.06564	2.7
133.10133	29.0
135.08063	10.1
135.11699	5.1
136.08806	2.7
137.06023	2.8
137.09628	7.5
139.07555	2.5
139.11165	5.1
140.21495	2.0
142.07790	12.5
143.08569	28.7
144.09357	8.8
145.06485	4.4
145.10133	45.0
145.11176	4.1
147.08080	19.1
147.11700	6.5
149.09653	10.1
151.07535	9.2
151.11134	2.4
155.08563	8.1
155.10709	6.5
156.09351	9.3
157.10135	42.6
158.10898	7.2
159.08119	4.8
159.11705	24.3
160.08864	8.8
161.09676	8.3
161.13284	4.7
163.11205	8.6
165.09143	23.6
165.12779	2.6
167.08589	6.9
167.10754	4.0
168.09369	3.6
169.10162	12.7
170.10945	6.3
171.10234	3.5
171.11667	22.0
172.12512	9.0
173.09650	4.5
173.13312	10.2
175.09863	3.4
175.11151	15.2
175.14760	2.9
179.08603	5.6
179.10739	3.2
180.09390	3.0
181.10172	7.2
181.12164	11.4
182.10942	5.5
183.11722	12.8
185.09744	3.2
185.13223	10.6
185.73091	2.4
187.11137	5.0
187.14839	4.7
189.12798	7.4
190.13515	7.2
191.14354	4.0
192.09279	2.4
193.10158	5.5
193.12296	5.4
194.10970	3.8
195.11736	10.4
195.13840	6.2
196.12521	3.8
197.13278	9.4
198.10492	3.3
199.11235	5.1
199.14854	3.3
201.12790	3.2
203.14366	14.7
206.10886	2.6
207.11809	5.3
207.13811	9.7
208.12665	3.0
208.14542	10.1
209.13283	13.6
211.11169	4.4
211.14917	6.5
213.12787	4.5
215.14256	2.6
219.11827	5.3
221.13429	4.9
221.15378	65.4
223.11137	2.4
223.14880	5.0
223.67592	2.5
224.15662	3.0
225.12753	5.2
225.14883	11.8
231.13895	5.1
233.13266	2.7
233.15343	8.2
234.16141	15.7
235.14784	3.4
237.12790	5.4
237.16457	5.5
247.17050	11.9
249.16359	4.3
251.18138	3.2
255.17560	2.8
273.18500	5.9
281.19189	2.4
285.18576	2.5
286.19376	4.7
287.20023	44.3
299.20020	11.0
303.19644	3.9
309.21930	2.7
311.19910	6.1
312.20853	3.6
313.21677	4.4
319.20364	3.0
322.27991	2.6
325.21570	15.5
329.21362	3.6
337.21625	9.6
339.23175	6.3
352.23978	77.2
353.24860	3.8
365.24734	15.7
367.26480	4.1
378.25397	2.5
391.26227	4.2
395.25897	6.2
438.31192	2.5
472.31735	8.3
525.35657	11.7
526.36133	3.6
538.36584	100.0
539.37054	2.7
591.67560	2.7
600.41302	3.4
606.98578	3.0
618.23572	5.9
618.42621	23.2
627.00269	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	617.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	11.6
55.05510	23.9
57.07064	16.6
65.03938	9.6
67.05509	38.7
69.03432	19.5
69.07072	27.9
69.74960	15.2
69.75372	7.3
71.04977	7.5
74.71832	3.3
77.03902	5.1
79.05501	47.0
79.28981	3.7
81.07069	51.6
83.04988	39.9
83.08628	13.5
85.02898	6.6
85.06541	9.4
91.05480	68.8
93.07043	87.6
95.04971	29.4
95.08591	40.8
97.06532	24.0
103.05470	11.5
105.04532	3.5
105.07035	100.0
107.08596	84.4
109.06538	32.8
109.10162	37.2
111.04411	4.4
111.08110	8.9
113.09652	5.7
115.05477	11.3
116.06255	5.7
117.06292	6.5
117.07014	33.9
119.08577	84.4
121.06512	18.2
121.10149	88.0
123.08079	21.7
123.11699	12.5
125.05965	30.6
125.09608	20.3
128.06233	14.2
129.07027	22.5
130.07790	11.5
131.08556	46.9
133.06464	11.0
133.10139	49.8
135.08066	21.2
135.11720	23.9
137.09601	14.7
139.11162	5.2
141.06999	11.8
142.07788	23.4
143.08588	47.8
144.09329	14.2
145.06465	5.5
145.10124	72.6
147.08052	16.3
147.11714	25.4
149.09634	21.6
149.13252	5.9
150.94278	3.5
151.07597	7.2
151.11119	4.9
153.07053	5.9
154.07735	5.1
155.08571	18.1
155.10631	4.7
156.09340	13.3
157.10136	60.8
158.10884	8.6
159.08105	26.9
159.09198	4.8
159.11705	46.2
161.09642	12.5
161.13214	7.8
163.11162	45.5
165.06963	9.2
165.09140	5.9
166.07755	5.4
167.08601	17.8
167.10696	76.5
168.09337	6.7
169.10147	31.4
170.10942	8.8
171.11693	34.3
173.09665	10.1
173.13295	18.6
175.11201	10.1
175.14818	5.8
177.12830	7.4
178.27496	3.7
179.08598	12.7
180.09335	8.3
181.10138	12.6
181.12244	49.8
182.10913	7.3
183.11697	28.4
185.09738	5.7
185.13286	12.0
187.11244	10.8
187.14795	11.9
189.12610	7.6
191.14462	4.6
193.10185	22.3
194.10875	9.2
195.11626	21.8
196.12463	5.1
197.13248	25.9
199.11249	7.5
199.14867	13.0
203.14319	6.4
205.10088	6.1
206.10957	6.5
207.11717	11.2
207.13811	4.9
208.12440	8.2
209.13326	20.8
209.15131	5.2
210.14052	4.6
211.11105	5.6
211.14870	17.4
213.12746	10.9
215.14264	9.4
217.15848	5.6
219.11830	6.9
220.12479	7.8
221.13261	17.1
221.15410	13.2
222.13985	5.5
223.14764	18.1
225.12816	5.6
225.16344	11.4
227.14317	4.9
231.13800	5.2
233.13165	10.1
233.15411	36.5
235.14851	10.4
237.12715	5.8
237.16487	8.8
239.14481	6.2
245.13176	8.5
246.14061	4.2
247.14786	6.6
249.16406	6.3
251.18001	8.3
258.14188	5.2
259.14929	5.8
263.17963	7.4
267.17261	4.9
269.19000	11.2
273.16260	7.5
273.18774	4.0
275.18124	4.6
281.18820	6.2
285.18732	5.0
298.19250	4.1
299.20187	8.5
380.26978	5.3
444.62033	4.2
581.39020	4.6
599.40753	8.5
617.42267	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	617.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40433	1.7
53.03949	4.3
55.05519	10.9
57.07070	8.2
59.04987	5.0
65.03936	3.6
67.05509	20.8
69.03433	6.9
69.07084	10.5
69.28035	13.5
71.04972	2.1
79.05492	17.4
81.03407	2.2
81.07059	27.3
83.04981	8.2
83.08613	3.7
85.02924	3.1
85.06557	5.8
89.04589	1.7
91.05487	32.1
91.98383	1.8
93.07053	50.6
95.04951	10.5
95.08607	27.2
95.09167	2.1
97.06527	6.2
103.03183	1.9
103.05491	3.0
105.07041	62.9
107.04989	3.8
107.08606	24.9
108.05695	2.0
109.06529	14.6
109.10167	13.7
111.08090	3.4
115.05492	6.2
117.07014	13.8
119.08600	46.0
121.06514	9.7
121.10153	36.0
123.04422	2.3
123.08089	25.9
123.11740	5.3
125.05986	5.5
128.06236	8.5
129.07027	12.3
130.07802	5.3
131.08589	23.9
133.06520	4.9
133.10141	27.6
135.08093	17.3
135.11697	4.6
137.09669	11.9
141.06984	5.5
142.07777	13.0
143.08582	23.2
144.09351	6.0
145.10130	40.9
147.08051	23.8
147.11696	9.5
149.09595	10.8
151.07562	36.1
153.09155	3.8
154.07800	2.4
155.08585	8.1
156.09366	10.8
157.10139	25.4
158.07339	2.3
158.10901	3.9
159.08102	7.3
159.11728	21.4
160.08916	2.1
161.09615	10.0
161.13275	8.5
163.07538	2.3
163.11223	8.2
165.06992	3.3
165.09122	40.6
166.07820	1.9
167.08536	4.9
167.10710	30.8
168.09396	3.5
169.10153	10.0
170.10951	5.5
171.08047	2.3
171.11710	22.5
173.09674	5.6
173.13272	9.8
175.11206	6.5
177.09088	2.6
179.08568	4.0
181.10129	5.6
181.12291	5.9
182.10954	5.1
183.08078	2.5
183.11769	9.7
184.08899	2.2
185.09651	3.4
185.13206	11.7
187.11205	11.4
187.14838	4.3
188.11897	2.1
189.09143	3.4
189.12773	11.1
191.14311	4.2
193.10164	3.5
194.10985	2.7
195.11760	10.2
196.12428	3.0
197.09668	3.3
197.13335	8.6
199.11230	5.0
199.14867	7.7
200.11897	1.9
201.12741	5.0
203.14333	20.7
206.10883	2.6
207.11772	5.4
207.13885	14.3
208.12405	2.9
209.13312	5.0
209.15434	5.5
211.11188	3.3
211.14854	6.0
213.12851	5.0
215.14394	6.9
219.11682	3.0
221.13405	3.9
221.15376	100.0
223.14899	5.5
225.12772	4.3
225.16425	6.9
227.14264	4.3
229.12416	2.4
230.12982	2.1
233.13361	4.1
233.15359	15.9
234.14186	2.2
235.14783	4.4
235.16953	3.0
237.16501	2.9
239.14368	3.4
239.18054	3.1
245.15541	2.9
247.14743	3.2
247.17064	2.4
249.16499	2.0
251.18025	3.0
253.15950	5.0
253.19766	2.2
260.15561	1.9
265.16159	2.1
268.18274	2.5
271.16913	11.7
273.18579	3.9
281.19171	3.1
285.18588	3.2
286.19308	51.5
287.20117	6.7
291.95361	2.2
299.20212	5.3
300.20786	2.0
311.20209	2.7
312.20886	4.0
313.21725	3.7
322.55173	2.4
343.44705	2.0
391.26517	5.4
406.21069	1.7
468.38834	2.0
525.35852	2.4
537.35883	9.7
581.40033	6.4
599.41040	27.2
600.40283	2.2
617.24890	3.4
617.42090	80.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45253	0.7
55.05505	2.5
56.05046	1.5
68.05049	0.8
69.07066	3.8
69.18766	2.7
69.19194	3.7
70.06599	13.6
70.28897	0.6
72.08163	25.2
74.06093	1.0
75.05611	2.9
84.04518	6.0
84.08145	3.5
85.02904	0.9
86.06078	2.1
86.09713	100.0
87.05613	0.9
88.09351	0.7
90.13837	0.8
91.05490	0.8
98.06066	0.7
98.21595	0.8
101.68932	0.7
102.05547	8.3
108.08109	1.0
113.07184	0.8
120.08099	2.9
129.10269	2.1
136.07588	1.9
140.14395	0.9
141.06628	2.0
143.11813	12.3
152.10788	1.0
154.15927	0.8
159.07704	2.4
160.07649	0.9
169.06085	2.0
170.11809	1.2
171.11295	4.0
180.10196	0.8
183.14925	1.1
185.16519	1.9
187.07185	5.0
197.12970	1.3
201.12251	1.1
204.69470	0.7
205.11836	4.7
211.14514	1.0
213.16083	2.1
215.13936	21.2
243.13426	20.8
245.14935	0.9
254.15031	1.2
270.18109	3.6
272.16119	1.7
282.14505	1.6
300.15561	21.9
313.11859	1.6
315.05005	1.8
342.20248	1.3
354.20233	1.2
371.23077	0.8
375.22809	1.0
381.21286	1.2
383.26721	1.2
385.24512	20.0
399.22430	6.4
407.20215	0.9
410.16718	0.8
413.23965	12.6
452.18686	1.1
454.19669	0.8
455.28165	0.9
484.31415	5.1
494.29968	1.2
512.30981	4.9
617.15240	0.7
617.26666	1.6
617.34979	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	617.2611
Annotation	3-Vinylbacteriochlorophyllide a
Peak:m/z	Relative Intensity
55.05522	1.3
56.41559	0.8
57.07080	1.8
60.74752	0.8
62.23217	0.9
67.05516	3.7
69.03432	1.5
69.07080	1.5
69.13001	9.6
79.05508	2.8
79.93425	0.8
80.75735	0.7
81.07078	2.9
83.05005	1.5
83.08630	1.3
91.05482	5.2
93.07056	6.9
95.04988	1.4
95.08643	3.8
95.60201	0.9
97.06522	0.9
105.07040	6.2
105.69986	0.8
107.08625	4.0
109.06520	1.2
109.10181	2.3
117.07095	1.5
119.08601	4.3
121.10176	5.7
123.08103	3.4
125.09721	1.0
126.06011	0.8
128.06264	1.4
129.07005	1.9
131.08595	3.4
133.06624	0.8
133.10179	3.0
135.08124	2.1
135.11710	2.0
137.09625	1.1
141.07118	1.0
142.07803	1.7
143.08612	2.6
145.10118	4.0
147.08119	2.6
147.11774	1.7
149.09677	1.8
151.07608	2.6
155.08618	1.4
156.09317	1.3
157.10176	4.0
159.08096	1.2
159.11745	1.8
161.09653	1.3
163.11281	1.2
165.09149	4.1
167.10739	3.8
169.10182	1.2
171.11879	1.3
181.12259	1.3
183.11620	1.0
183.36031	1.0
185.13318	1.5
185.18997	0.8
187.11180	1.0
195.11667	1.3
197.13322	1.7
199.14973	1.1
201.12856	1.0
203.14500	1.7
207.13878	1.0
221.10915	1.0
221.15361	7.5
223.12415	0.9
233.15501	1.9
261.61270	1.1
263.15869	0.9
276.15070	1.7
286.19498	3.4
339.16318	1.0
351.16711	1.2
352.17487	0.9
353.17822	1.7
354.10422	0.9
354.19855	2.6
365.17966	3.0
366.18680	2.6
367.15555	0.9
367.19083	4.4
379.19394	2.4
380.20355	2.0
381.20749	8.2
382.21924	1.7
409.20569	2.9
421.20435	3.6
423.22354	1.9
436.23004	1.5
437.19449	1.5
439.21579	2.3
449.19724	2.2
452.22458	1.3
453.22928	1.2
454.24271	4.2
463.21558	1.3
465.18530	6.1
477.19019	5.1
482.23343	1.3
492.21478	9.7
493.25897	1.0
495.20279	1.1
508.21686	1.2
523.19794	1.3
525.24896	1.4
527.26086	1.5
537.25409	4.5
538.22125	100.0
539.22961	29.6
541.19525	5.5
553.24622	3.0
555.26715	1.8
557.23956	1.7
573.22003	9.1
581.23865	16.1
581.31909	1.1
599.25079	18.9
599.40717	1.4
614.71490	0.9
617.26392	42.6
617.36127	2.4
617.42273	3.8
618.27008	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05392	0.9
55.05627	0.9
56.96460	0.6
59.89439	0.7
65.99148	0.5
67.05363	1.3
67.05710	1.1
69.06932	0.8
69.07254	0.7
79.05358	0.8
81.06873	1.8
81.07363	1.2
91.05293	1.4
91.05790	0.8
93.06847	2.1
95.04816	1.0
95.08451	1.3
95.08965	0.8
98.97423	1.1
98.97964	0.7
105.06806	2.2
107.08347	1.9
109.09982	1.0
119.08324	2.1
121.09943	1.5
123.07897	1.2
130.99910	0.7
131.08403	0.9
133.09935	1.2
140.01065	0.6
143.08325	1.3
145.09874	2.0
147.04153	2.5
147.07851	0.9
147.11456	1.0
155.08331	0.7
157.09991	1.2
161.13052	1.1
165.08928	1.2
167.10454	1.2
173.13065	1.0
197.13026	0.8
209.10519	1.2
221.10629	0.8
221.15349	3.0
223.12132	1.2
224.12933	0.8
225.13690	0.7
233.10577	0.7
237.13760	1.3
238.14404	1.1
271.89441	0.6
276.14639	2.5
277.43756	0.6
286.19125	0.7
293.05273	0.6
317.17935	0.8
337.14468	1.0
346.64032	0.7
351.15881	1.7
352.16754	2.2
353.17993	1.3
354.19330	2.7
359.17181	0.8
359.67184	1.4
364.17194	1.1
365.17569	3.2
366.18161	2.9
367.19095	3.5
378.18719	0.8
379.19376	3.0
380.19766	2.0
381.20953	7.1
382.21573	1.3
393.20670	1.9
395.18277	0.8
406.17770	0.8
407.18396	1.4
408.19226	1.1
409.19986	2.7
421.20129	3.5
423.21741	2.5
425.19101	0.9
435.22302	0.7
436.22464	1.8
437.19379	1.1
439.21033	3.3
447.21649	0.8
449.19635	1.8
451.16876	1.3
452.21976	2.2
454.23740	4.5
455.24170	0.9
463.17233	1.0
464.18036	0.8
465.18610	5.3
467.20474	1.5
477.19043	5.2
480.21338	0.9
482.23300	1.9
484.24570	0.7
492.21643	10.8
493.22089	1.1
495.20282	1.2
507.24023	0.9
508.20544	1.1
509.25833	1.1
511.23300	2.0
525.24860	2.3
537.25262	5.4
538.22131	100.0
539.22882	30.0
540.23364	0.8
553.24286	2.0
555.25940	1.9
557.24255	1.5
581.23975	15.3
599.25012	18.8
599.40466	1.1
617.26123	41.1
617.42279	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.8
55.01871	1.6
55.05517	17.2
57.03439	1.0
57.07084	4.8
59.05007	0.7
61.02935	1.2
67.05515	3.5
68.99803	0.7
69.03434	5.6
69.06731	0.8
69.07076	10.2
69.34772	3.8
70.06593	2.8
71.04990	1.8
71.08641	0.8
73.02919	1.2
73.06555	1.2
81.03436	4.6
81.07066	5.5
83.08627	34.0
84.08151	0.7
85.02915	11.7
85.06573	0.9
86.09718	2.2
87.00830	4.8
87.04473	1.9
89.06039	59.9
91.05485	1.2
93.07058	1.0
95.05002	0.6
95.08615	4.5
97.02906	4.3
97.10178	10.7
99.04455	1.9
102.05591	0.5
105.01890	3.2
105.07024	0.9
107.07086	2.9
107.08569	1.0
109.02888	4.0
109.06507	0.4
109.10182	3.6
117.07198	0.4
119.04978	0.7
120.08119	1.4
121.06557	0.6
121.10123	0.9
123.08099	0.5
123.11698	0.5
125.09639	0.8
127.03938	6.0
129.01849	0.7
130.08676	0.7
133.08617	18.8
133.10124	0.9
135.08029	0.6
136.07597	0.5
139.14828	0.7
143.08434	0.4
145.04964	1.9
145.10124	0.5
147.04427	2.7
149.09688	0.6
151.03981	0.8
151.09671	2.7
151.11096	0.7
156.71701	0.4
159.02925	1.9
167.07040	0.5
177.11241	8.0
191.07166	0.6
195.12299	30.6
227.20076	1.6
227.22134	0.4
231.05025	0.8
333.26373	100.0
334.26843	1.4
351.12302	0.5
351.27472	15.6
352.41632	0.5
357.54337	0.5
471.25418	0.5
492.46481	0.5
530.30255	0.6
546.59503	0.5
572.30457	0.9
616.29822	2.2
616.44165	2.9
617.27222	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86040	0.4
53.03949	1.3
55.01867	1.6
55.05517	16.2
56.05832	0.5
57.03437	1.4
57.07085	3.9
58.34883	0.4
61.02918	1.1
67.05507	4.4
68.99792	0.7
69.03438	5.9
69.07076	9.5
69.07423	0.8
69.45103	0.9
69.45502	3.2
70.06590	3.0
71.04986	0.7
71.08628	1.1
71.71844	0.4
72.08157	0.7
73.02908	1.0
73.06580	0.7
79.05490	1.0
81.03428	4.5
81.07067	4.5
83.08624	31.3
84.04505	0.5
84.08189	0.5
85.02911	13.1
86.06026	0.4
86.09713	4.6
87.00838	6.5
87.04461	2.2
88.84138	0.5
89.06037	59.5
91.05450	0.7
93.07040	0.6
95.08614	4.9
97.02890	3.9
97.10173	10.2
98.21484	1.0
99.04465	1.7
100.07603	0.5
100.11267	1.1
103.05451	0.5
105.01864	3.6
105.07061	0.9
107.07065	2.1
107.08593	0.8
109.02883	4.2
109.10177	2.7
119.08588	0.6
120.08126	3.6
121.10172	0.5
123.11691	0.8
127.03917	6.5
129.01830	0.8
130.08598	0.6
131.08591	0.5
133.08612	18.6
133.10123	0.9
145.04979	1.6
151.09621	2.6
159.02884	2.1
165.16386	0.6
174.46269	0.5
177.11232	7.7
177.12677	0.6
182.15419	1.1
195.12292	27.3
199.17929	0.5
210.14905	0.7
221.28568	0.5
227.20122	2.1
231.04903	0.6
249.12428	1.0
264.45819	0.4
266.78134	0.4
277.11945	0.8
297.12396	0.5
313.11874	0.4
333.26370	100.0
334.26794	1.4
351.27441	18.0
390.20218	1.1
552.21387	0.5
567.38733	0.4
616.29327	1.2
616.44690	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	615.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20217	0.9
53.03943	2.5
55.05273	1.5
55.05513	17.8
57.03446	5.2
57.07083	5.2
58.40620	0.8
59.02522	0.9
65.03945	1.9
67.05507	45.6
69.06690	1.2
69.07066	23.1
71.04990	2.2
71.08627	2.7
79.05495	26.0
81.07059	47.6
83.04961	1.5
83.08617	12.8
85.06557	2.0
85.95383	0.9
91.05484	19.3
93.07049	35.2
95.04947	1.4
95.07986	2.1
95.08609	43.4
97.06519	2.6
97.10174	6.7
97.17068	0.9
98.21571	3.1
99.08093	1.7
105.04516	1.6
105.07030	19.0
107.08592	19.1
109.06495	1.1
109.10159	19.3
111.11784	1.6
116.73455	0.9
117.07043	5.7
119.08581	21.1
121.10149	19.6
121.11035	1.0
123.08056	1.4
123.11726	9.2
125.09667	2.3
129.06978	2.3
131.08565	13.0
133.10133	15.3
135.07993	0.9
135.11708	12.0
137.09627	1.0
137.13309	2.2
143.08624	3.2
145.10123	11.3
147.11684	11.4
149.13249	8.2
151.14848	2.2
155.08551	1.2
157.10176	2.7
159.11684	8.8
161.13240	6.6
163.14851	3.9
171.11790	4.5
173.13278	6.1
175.14853	4.8
177.16473	2.0
185.13290	2.9
187.14818	3.2
189.16449	3.7
191.17958	1.8
199.14919	1.6
201.16426	3.0
203.18127	1.1
205.19618	1.9
213.14824	1.2
215.18039	1.6
217.19646	1.1
229.45999	1.0
233.22649	1.9
241.19673	1.0
243.21017	2.0
259.20670	3.7
261.22122	9.9
273.22092	1.2
287.23618	1.3
301.25427	1.4
303.26404	1.1
317.24893	2.0
333.24289	3.6
335.25833	7.9
337.27390	11.0
339.29077	3.2
349.27789	1.4
371.33591	1.5
385.34842	1.5
429.33411	1.2
435.30716	1.1
449.32059	1.1
452.11462	1.1
469.87158	0.9
505.44641	1.3
517.39117	1.2
523.45264	4.2
541.46210	3.7
545.42224	1.4
597.48999	11.0
615.49847	100.0
616.50244	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.2
55.01909	1.1
55.05514	20.1
57.03443	5.7
57.07069	6.5
57.39706	0.9
61.68167	0.8
65.03938	1.4
67.05507	51.1
69.07075	22.4
71.04971	1.6
71.08630	2.7
77.03964	0.9
77.77994	0.9
79.05496	28.1
81.07059	51.0
83.04978	2.2
83.08630	13.2
85.06536	2.7
89.06012	1.2
91.05484	20.3
93.07048	34.6
93.07644	1.7
95.04965	1.7
95.08608	45.0
96.57496	0.8
97.06548	4.3
97.10163	8.6
98.21581	1.5
99.08075	1.6
105.07031	21.0
107.08591	23.0
107.09303	1.3
109.06555	1.0
109.10159	21.4
111.08067	1.2
111.11723	2.9
117.06968	5.1
119.08587	20.7
121.10146	18.2
121.10944	1.6
123.08046	1.6
123.11728	9.5
125.09611	1.5
129.06995	2.2
131.08572	12.1
133.10130	15.2
133.14494	0.8
135.11688	14.3
137.13252	3.4
139.11205	1.4
143.08568	4.8
145.10132	12.5
147.11684	12.2
148.77890	0.9
149.09663	1.7
149.13280	8.1
151.11154	1.3
151.14856	1.3
155.08669	1.1
157.10143	3.7
159.11713	9.1
161.13278	8.7
162.67441	0.9
163.14888	5.3
163.35144	0.8
169.10199	1.3
171.11749	3.8
173.13284	6.1
175.14880	4.2
177.16412	2.4
179.14336	1.1
183.11705	1.1
185.13281	3.3
187.14780	4.9
189.16446	2.6
191.17973	1.7
192.40495	1.0
197.13365	1.0
199.14905	1.3
201.16492	1.6
203.18076	1.1
205.19539	2.0
213.16493	1.5
215.18074	1.2
217.19606	1.1
219.21101	1.2
227.18021	1.5
229.19579	0.9
243.21204	2.8
247.20491	1.1
259.20694	4.4
261.22104	9.5
263.23758	2.3
267.19727	1.3
275.23685	1.2
277.21509	1.1
287.23776	1.3
289.25351	1.3
301.25226	2.1
303.26852	2.0
317.24832	1.7
319.26483	1.8
323.25974	1.0
333.24478	2.2
335.25845	10.2
337.27441	13.9
339.29050	3.0
349.27249	1.2
361.27176	1.0
417.33911	1.1
503.37933	1.0
523.45093	5.3
531.40747	1.3
541.46515	4.3
597.48859	15.1
615.49829	100.0
616.50153	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	615.2816
Annotation	Swietemahonin C
Peak:m/z	Relative Intensity
57.07064	1.0
67.05505	1.0
69.80096	4.2
83.08602	1.1
89.06019	2.6
91.05479	0.8
96.21705	0.8
98.21487	1.6
105.07022	1.1
105.54260	0.8
107.08594	0.8
119.08599	1.8
125.09532	0.8
133.08601	1.5
145.10022	0.8
153.59377	0.9
156.47725	0.8
157.10104	0.9
164.10783	1.7
209.10695	0.9
221.15428	0.9
221.97708	0.8
231.11276	2.7
234.11656	0.8
235.12294	1.0
236.11833	1.9
237.13890	0.7
250.13455	1.2
261.13892	0.8
261.33463	1.0
262.13504	1.0
269.12698	1.4
289.15701	0.9
303.13678	1.4
313.15463	1.1
314.16602	1.1
318.16006	2.9
337.14789	0.8
340.17755	1.1
345.25244	0.8
353.17664	1.5
366.18253	1.2
368.17548	1.3
378.19067	0.9
379.19357	2.2
380.19952	1.2
381.21072	2.0
393.16583	0.9
393.20990	0.9
394.17877	2.4
408.19409	1.9
409.20456	6.2
412.65826	0.9
421.20126	1.1
422.21463	1.1
423.21994	5.5
424.18137	1.7
424.22787	2.3
425.20209	1.0
435.21790	2.7
451.21417	1.2
453.18842	11.2
454.19775	1.5
465.22556	1.9
466.20306	0.8
467.20749	4.8
468.21600	21.4
469.21747	0.9
479.24866	4.3
480.24274	1.2
481.22461	2.5
482.23285	3.7
483.24030	1.8
495.20877	1.2
496.24338	3.1
508.24258	2.3
511.27094	5.6
512.23743	1.3
513.24750	1.6
523.23346	1.5
527.26483	1.0
537.24622	2.3
538.23267	0.9
539.26538	4.9
541.24738	1.0
551.22882	2.0
555.26062	100.0
556.26202	4.3
570.26147	1.1
571.28857	0.8
583.25586	45.1
584.25989	1.1
587.28357	6.9
596.90027	0.9
597.27203	1.3
615.28198	12.0
615.39203	2.0
618.14355	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2454
Annotation	C11829
Peak:m/z	Relative Intensity
55.05529	1.6
67.05505	3.8
67.26064	1.4
69.07066	3.0
70.67477	4.2
79.05508	3.0
81.07063	4.6
83.05018	2.0
91.05502	4.6
93.07072	4.8
95.08610	2.7
105.07061	6.0
107.08617	4.4
109.06567	1.8
109.10183	3.3
114.09003	1.5
117.07024	2.3
119.08607	3.2
121.10162	4.9
131.08620	1.8
135.08105	2.3
143.08578	3.3
145.10158	3.6
149.09764	1.9
151.07622	1.9
159.11739	1.9
165.09096	2.4
167.10669	3.1
173.09608	1.6
183.11913	2.0
193.10353	1.5
221.15398	3.0
221.41068	1.5
222.11688	1.6
235.12489	2.5
276.14865	1.8
318.89792	1.8
350.03922	1.6
363.16476	3.1
365.17905	2.0
377.17822	4.9
378.19269	1.8
379.19220	7.4
391.19305	5.2
393.20889	11.5
394.21661	2.4
395.22549	1.9
399.14536	3.6
400.15106	3.0
403.80554	1.6
405.16617	2.7
405.21213	2.3
406.21661	3.3
407.18716	3.5
419.18674	5.2
420.19635	5.0
421.20331	4.3
423.21802	3.1
429.19113	2.4
434.21094	10.9
435.18005	1.9
437.23871	1.8
442.16544	3.5
447.22250	3.0
451.21320	2.4
452.22125	15.4
456.17783	2.0
463.17297	2.4
466.12643	1.7
475.21460	3.2
477.19394	4.2
478.19965	16.8
480.22061	4.0
490.20145	19.7
499.27252	2.6
507.24338	2.0
509.14883	2.7
510.22556	1.8
517.22125	2.3
519.20203	2.4
525.25275	6.3
535.23615	6.7
536.20605	61.9
537.21423	67.8
539.19379	24.7
551.22925	8.4
553.24774	3.9
571.21869	35.8
579.22485	11.5
597.23267	4.0
597.39728	1.8
615.24573	100.0
615.40387	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	615.2448
Annotation	C11829
Peak:m/z	Relative Intensity
55.01818	0.7
61.47733	0.7
67.05442	1.6
69.06995	0.8
79.05406	1.4
81.06976	1.1
83.08524	0.6
83.28872	0.7
91.05409	1.6
95.08525	0.8
105.06995	0.9
108.12085	0.7
112.97271	0.7
115.83275	0.7
116.92477	0.7
119.08525	1.1
121.10057	1.2
123.08067	0.7
131.08549	0.8
133.10072	1.0
133.90855	0.6
145.10017	1.1
159.11609	0.9
162.46022	0.8
167.10649	1.4
267.83737	0.7
334.92465	0.8
410.13171	1.4
411.14627	1.6
412.15298	0.7
423.14600	1.5
424.15164	3.0
425.16177	6.8
426.16794	4.0
427.17590	4.7
438.16895	1.6
439.18024	10.4
440.18521	9.1
441.19000	3.1
442.20129	3.9
452.14026	4.7
453.15436	33.6
454.15500	3.1
454.20123	3.9
455.20926	30.0
456.21283	3.4
465.15314	1.0
466.16187	2.7
467.17029	37.1
468.17502	10.8
480.17819	1.0
481.18619	9.4
482.19208	52.1
483.19440	4.6
484.16492	0.8
485.17831	1.2
495.20282	1.9
496.21091	2.2
498.23474	3.7
499.19519	1.3
509.21851	1.5
512.20410	1.1
513.21484	1.3
514.21875	5.4
524.20508	0.9
527.23431	4.7
537.20929	1.0
539.22968	1.0
540.19629	1.6
554.17822	1.0
555.22430	100.0
556.22638	6.1
583.21918	30.9
584.22400	1.3
586.20398	1.7
587.24994	4.1
615.24286	87.5
615.40338	2.6
616.24188	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	613.4827
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03947	3.8
55.01888	2.1
55.05521	20.2
57.03437	5.0
57.07072	5.0
65.03934	2.9
66.57716	0.9
67.05510	60.3
68.58009	0.9
69.07075	22.4
70.87111	2.1
70.87432	1.1
71.05006	2.3
71.08637	1.5
79.05499	34.6
81.07062	67.7
83.04977	1.9
83.08627	13.4
83.09068	1.4
85.06538	2.0
91.04915	1.4
91.05489	27.3
93.07051	40.6
95.04996	2.2
95.08613	54.4
97.06529	3.3
97.10175	5.5
99.08096	1.6
105.06323	1.2
105.07036	25.8
107.08598	29.6
109.06533	1.3
109.10164	29.5
111.08087	1.6
117.07027	12.2
119.08586	28.1
121.10151	24.0
123.08036	1.8
123.11704	10.1
125.09666	1.8
128.06177	1.0
129.07007	6.1
131.08575	23.0
133.10149	23.9
135.11716	19.2
137.09624	1.1
137.13284	4.2
143.08543	7.1
145.10127	20.0
147.11696	18.3
149.13268	12.2
151.14865	1.8
155.08591	2.4
157.10141	8.1
159.11703	15.8
159.12898	1.7
161.13269	14.5
163.14813	5.2
167.14253	1.0
169.10176	3.9
171.11673	9.0
173.13286	12.9
175.14844	8.1
177.12804	1.4
177.16418	2.1
181.10196	1.2
183.11743	2.9
185.11891	1.2
185.13289	6.2
187.14787	7.1
189.16467	2.7
191.17918	1.0
197.13342	2.3
199.14856	4.3
201.16422	4.5
203.18025	2.1
211.14839	2.0
213.16467	2.7
215.18033	2.3
217.19563	3.0
219.17506	1.3
227.16273	1.3
229.19664	1.1
231.21133	2.6
233.18996	1.1
241.19664	4.8
243.21132	3.5
247.20799	1.8
249.96359	1.1
257.19299	1.5
259.20618	9.5
261.22186	12.0
263.23795	1.4
273.22186	1.2
275.23685	1.0
281.21582	1.1
287.23773	1.4
289.21912	1.1
299.23608	1.5
301.25336	2.1
311.23557	1.2
313.25375	1.4
315.26743	1.3
317.24817	2.4
333.24347	5.8
335.25803	16.9
337.27469	10.9
337.31363	1.6
341.28400	1.7
348.02533	1.0
353.27332	0.9
355.30008	1.2
491.36667	1.0
503.36935	2.2
503.43359	1.5
514.84991	1.2
517.39264	1.7
521.43451	7.0
539.44275	3.6
543.40277	1.9
560.54901	1.2
595.47418	13.3
613.48297	100.0
614.48602	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	613.4827
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03931	2.7
55.01880	1.6
55.05513	15.2
57.03446	5.8
57.03687	1.2
57.07077	3.7
65.03945	2.0
67.05508	45.0
69.07073	15.9
70.86781	3.0
71.04990	1.7
71.08639	1.9
79.05071	2.1
79.05499	27.9
81.07059	52.6
81.07538	2.6
83.08629	7.8
85.06542	1.4
91.05485	22.6
93.07047	33.9
93.15745	1.2
94.23844	1.2
95.04956	1.8
95.08614	41.9
97.06546	2.4
97.10183	6.0
105.06393	2.3
105.07036	23.8
107.08598	21.6
109.09477	1.8
109.10169	22.7
111.08099	2.2
111.11697	1.6
115.05470	1.3
117.06995	8.5
119.08587	21.6
121.10146	17.4
123.11708	6.7
125.09592	1.6
129.07002	5.9
131.08578	16.8
132.82968	1.4
133.10129	19.6
135.08063	1.4
135.11690	14.9
137.09598	1.5
137.13229	2.1
143.08592	6.7
145.10130	15.6
147.11687	12.2
149.13272	8.4
155.08588	2.7
157.10168	4.6
159.11693	13.7
161.13292	10.4
163.14845	5.0
169.10204	2.8
171.11726	5.8
173.13263	12.9
175.14842	4.3
177.16406	1.8
179.93414	1.1
183.11696	1.4
185.13310	4.2
187.14801	5.1
189.16432	2.0
197.13303	1.3
199.14876	3.7
201.16417	3.5
213.16438	2.6
215.18033	1.7
219.79865	1.1
225.16423	1.7
241.19730	3.2
243.21190	4.3
259.20581	10.0
261.22168	10.6
301.25308	1.4
313.25378	1.4
317.24899	1.7
333.24283	5.0
335.25836	14.5
337.27484	9.6
489.35971	1.2
517.38269	1.3
521.43488	7.8
529.39221	1.2
539.44452	3.8
543.40460	2.7
595.47070	13.7
613.48260	100.0
614.48492	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	613.4829
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03939	2.4
55.01871	1.7
55.05270	1.4
55.05517	17.1
57.03433	5.3
57.07074	3.9
65.03949	2.2
67.05508	41.1
69.07075	17.6
70.42265	0.9
71.04993	1.9
71.08631	2.0
71.22432	1.8
73.04762	1.4
75.04501	1.0
79.05495	22.6
81.07066	44.9
83.04979	1.2
83.08624	8.8
85.06567	1.5
89.06019	1.0
91.05475	22.7
93.07050	29.0
95.04982	1.8
95.08616	37.4
97.06551	3.7
97.10180	4.0
99.08110	1.3
103.22758	0.8
105.07034	24.6
105.07697	1.6
107.08609	19.1
109.06522	1.7
109.10174	17.6
111.08088	2.0
113.09668	1.5
117.07037	9.7
119.08591	23.8
121.10160	13.2
123.08071	1.1
123.11745	6.4
125.09677	1.4
129.07001	7.0
131.08577	20.1
133.08670	1.0
133.10150	17.8
135.11703	8.2
137.06024	3.5
137.13316	1.9
141.07048	2.0
142.07751	1.2
143.08571	8.4
145.10132	19.1
147.11681	10.7
149.09683	1.1
149.13228	4.5
155.08589	3.3
156.09285	1.0
157.10139	9.2
159.11713	14.2
161.13278	8.4
163.11176	1.4
163.14861	2.4
169.08942	0.9
169.10196	4.0
171.11690	7.1
173.13268	9.8
175.14856	4.9
175.63367	1.2
177.16417	1.8
181.10228	1.8
183.11748	3.9
184.12413	0.9
185.13275	7.4
187.14906	6.2
189.16426	2.7
195.11827	1.1
197.13339	2.8
199.14836	4.9
200.32310	0.9
201.16467	2.5
203.18047	1.7
211.14803	2.1
213.16449	2.8
214.29543	0.9
215.17950	2.9
217.19504	1.4
225.16544	1.6
227.17973	1.8
229.19458	1.2
233.19058	1.2
241.19746	1.5
243.21152	2.7
245.22783	0.9
257.19019	1.2
257.22723	1.3
259.20676	2.5
261.22247	2.7
271.20493	1.0
277.18027	3.0
285.22345	1.0
299.23788	1.9
313.25327	1.8
333.24380	1.7
335.25958	3.1
337.27631	3.1
341.28510	1.2
357.07053	0.9
357.27734	1.0
369.31564	1.0
489.36044	1.0
503.37280	1.5
515.77081	1.0
521.43481	8.6
529.38635	1.3
539.44684	3.2
543.40265	1.5
595.46790	6.1
613.48334	100.0
614.48645	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	613.4833
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.02311	1.1
53.03954	3.6
55.01879	3.3
55.05515	21.1
57.03446	6.3
57.07081	5.9
65.03947	3.3
67.05511	58.6
68.05846	1.4
69.06731	1.9
69.07074	22.0
69.16711	12.8
71.05003	2.2
71.08636	2.3
73.04410	1.5
73.04764	8.6
75.04445	1.3
75.15669	1.3
79.05497	33.0
80.05810	1.7
81.07065	63.3
83.04976	1.6
83.08617	13.9
85.06549	2.7
89.06023	1.2
91.05434	26.9
92.05772	2.2
93.05464	1.2
93.07048	40.0
94.07406	1.2
95.04961	3.0
95.08612	42.8
97.06558	4.7
97.10185	5.7
99.08090	2.6
103.05521	1.6
105.07037	36.7
107.08597	23.4
109.06523	2.4
109.10167	21.4
111.04504	2.0
111.08068	2.1
113.09619	1.6
114.07401	1.9
115.05485	1.8
117.07024	12.3
119.07771	1.2
119.08591	32.2
121.10153	19.6
123.08094	2.9
123.11755	7.8
129.06990	7.3
131.08571	23.3
133.10135	22.5
135.08057	1.3
135.11711	13.8
137.06003	7.8
137.09663	1.3
137.13271	2.8
138.64754	1.3
138.99400	1.3
141.06950	1.2
142.07845	1.6
143.08565	8.4
145.10144	20.3
147.11707	20.6
149.13272	9.1
155.08592	3.0
157.10094	9.7
159.11696	17.1
161.09674	2.8
161.13278	15.4
163.11200	1.6
163.14893	4.3
163.84583	1.3
169.10167	4.0
171.11694	9.2
173.13274	11.6
175.11201	1.6
175.14873	8.5
181.10086	1.3
183.11725	2.0
185.13333	8.0
187.14828	6.7
189.16432	4.6
191.77393	1.3
195.11731	1.8
197.13309	3.1
199.14906	3.5
201.16490	4.4
203.17862	1.3
209.13458	1.2
213.16443	4.3
215.17999	3.4
227.16260	2.0
231.21022	2.8
239.09547	1.8
241.09052	1.8
241.19576	7.4
243.21158	3.2
249.16513	1.3
257.19028	2.8
259.20596	15.6
261.22250	3.8
263.23630	1.7
269.22806	1.4
270.97290	1.6
275.20065	1.5
277.18069	4.8
277.21118	1.2
285.22147	1.7
300.06320	1.8
315.23386	1.6
333.24292	9.4
335.25967	5.6
337.27402	14.4
355.07379	1.4
355.30261	2.1
356.07150	3.4
357.06876	4.6
358.06860	3.2
437.34290	1.5
517.38806	1.5
521.43524	5.5
539.44800	4.5
595.47217	7.5
613.48242	100.0
614.48444	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	613.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45904	1.3
55.05500	2.8
58.36921	1.4
62.27073	1.4
67.05511	4.3
67.07166	1.5
69.27069	3.5
69.27467	11.2
79.05500	3.7
81.07051	7.1
83.08614	2.2
91.05487	4.3
93.07053	4.0
95.04990	2.0
95.08611	6.0
98.20682	3.3
102.33232	1.4
105.07022	4.9
106.06529	1.8
107.08604	5.7
109.10177	1.9
119.08578	2.5
121.10131	3.1
127.74115	1.4
131.08598	2.2
133.10167	1.8
135.11700	2.6
142.67659	1.5
142.95459	1.7
145.10110	2.1
147.11740	2.7
159.11656	2.4
221.10857	2.2
235.12285	1.7
237.13989	2.0
288.53671	1.5
326.16934	2.0
331.67609	1.9
352.18192	2.1
353.17694	4.3
365.17944	2.4
366.19379	2.0
367.19339	4.6
368.20792	3.2
379.19159	4.6
380.20007	2.1
381.20972	2.9
395.18555	3.3
397.20398	4.9
407.18341	2.1
409.20306	4.4
411.21762	5.1
421.20334	3.4
422.21045	3.7
423.22198	8.3
424.22943	4.2
425.19852	10.5
436.22803	3.3
437.23911	7.7
438.20645	3.5
439.21255	5.3
440.22113	7.8
449.23462	2.2
453.23373	2.8
455.24365	3.8
456.21722	2.3
467.20657	1.9
469.22559	2.9
481.22046	8.2
482.23224	1.8
483.24854	8.2
484.24564	6.7
489.19415	2.5
494.23499	2.6
495.23926	4.8
496.24753	4.6
497.21967	2.7
509.25967	3.0
511.23611	5.6
512.24011	6.0
527.26477	16.0
537.24988	3.9
540.23389	3.4
553.23901	2.0
569.27661	41.4
570.24689	10.9
571.25433	100.0
572.26465	2.9
585.27203	2.1
613.26434	97.8
613.47723	5.5
614.25873	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	613.2661
Annotation	Scuterulein B
Peak:m/z	Relative Intensity
51.59854	0.6
69.58347	1.6
69.58764	1.8
72.78719	0.4
76.45694	0.4
81.07026	0.6
98.20765	0.9
119.14459	0.4
119.66125	0.5
146.05969	0.5
173.10692	0.7
189.10162	0.7
207.09061	0.6
209.10753	1.6
210.11378	0.5
211.12199	0.5
218.08002	0.5
221.10771	1.3
223.12357	0.9
225.13913	0.9
233.10735	1.3
234.11670	0.5
235.12253	2.1
237.13782	1.5
249.13916	1.3
250.13362	0.5
251.15448	0.6
260.11795	0.6
262.13403	0.7
263.15445	0.6
274.13712	0.5
276.14978	0.7
277.12155	0.5
290.12927	0.6
298.13364	0.5
302.12933	0.8
302.16574	0.6
312.15048	0.8
318.16043	1.2
338.16595	1.3
339.16177	1.3
340.17819	1.1
342.28983	0.4
351.16611	0.9
352.17905	1.8
353.17709	4.1
354.18884	1.9
355.19437	0.5
363.16064	0.9
364.17456	1.1
365.17746	1.6
366.19382	1.9
367.15436	0.9
367.19370	3.3
368.20752	1.3
369.21457	0.6
378.15070	0.8
378.19601	0.9
379.19708	2.2
380.20395	0.9
381.16965	2.1
381.21353	2.9
382.17654	0.8
382.21973	0.9
383.18152	0.9
383.22452	3.1
391.15579	0.7
393.16840	1.2
393.21085	1.2
394.17902	1.1
395.18320	2.6
395.22861	1.1
396.19614	1.7
397.20285	3.7
407.18683	1.4
408.19504	0.8
409.20551	3.9
410.21744	2.3
411.22021	7.5
412.22903	2.5
421.20355	1.3
422.21439	2.9
423.17520	1.1
423.21869	2.8
424.22455	1.8
425.19650	8.0
426.20587	0.7
427.21396	0.9
435.21994	1.1
436.22061	0.6
437.23883	3.8
438.20340	3.1
439.20694	6.6
440.22089	5.9
441.23383	0.6
453.23111	3.4
454.23480	1.4
455.19946	0.9
455.25229	1.2
456.21466	2.5
467.24329	1.5
469.23398	3.6
470.23029	0.5
479.20956	0.9
480.21521	1.1
481.22467	3.1
483.24741	10.4
484.24689	5.2
494.22223	0.6
495.24173	2.5
496.24933	1.7
497.21429	7.1
498.22690	1.2
509.25629	1.2
510.23135	0.6
511.23633	3.0
512.24078	3.3
527.26599	11.9
537.24866	1.7
542.21033	0.8
543.26263	1.1
553.24725	1.1
555.22339	0.8
569.27679	19.0
570.24713	11.3
571.25574	100.0
572.26123	3.6
585.27380	1.3
593.78558	0.6
613.26624	67.4
614.26862	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	613.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
67.26470	0.7
69.55040	4.4
85.52014	0.7
122.09645	1.2
129.03485	0.7
130.06532	0.8
130.73074	0.7
132.08220	0.8
144.94447	0.8
173.10771	1.7
197.10840	1.2
209.10750	1.1
211.12331	2.1
221.10762	1.8
223.12306	1.5
224.13104	1.0
233.10835	1.0
234.11681	1.1
235.12350	1.7
237.13902	2.3
239.15334	1.3
249.13942	1.5
251.15492	1.3
258.61176	0.8
262.13388	1.0
263.15591	1.3
288.14984	1.3
289.16754	0.8
290.16818	0.9
302.16998	0.8
316.18301	0.8
318.16156	1.8
324.14847	1.6
326.16400	1.2
336.15161	0.8
338.16418	2.1
339.16449	1.5
340.17984	0.8
350.16345	1.3
351.16364	2.6
352.17847	2.9
353.17557	4.8
354.19052	1.1
355.19290	1.3
363.16809	1.4
364.17947	1.0
365.17682	3.4
366.19049	3.3
367.19312	6.5
368.20258	1.3
369.21100	1.1
377.17728	0.9
378.19162	1.0
379.19406	3.7
380.20493	1.3
381.16827	1.4
381.20874	5.7
383.18268	1.3
383.22409	2.7
395.18283	2.2
395.22522	2.9
396.18973	1.2
396.23532	1.5
397.20313	1.8
407.18646	1.2
409.20239	3.8
410.21347	1.2
411.22247	6.1
421.20294	1.1
422.21103	2.8
423.22339	4.0
424.22729	2.3
425.19574	4.2
427.21423	1.3
436.22174	1.4
437.19165	2.6
437.23758	2.9
438.20572	0.9
439.20911	3.6
440.22205	3.0
441.22958	1.5
451.21332	0.9
453.23053	3.7
454.24307	1.1
466.24927	1.2
467.25458	1.6
468.25354	2.5
469.26868	1.9
481.23199	1.5
482.23386	3.4
483.19769	6.2
483.27658	2.0
484.25250	1.3
497.25699	11.8
499.27109	1.8
509.25815	1.0
525.25189	3.2
526.26013	1.2
527.26593	12.1
541.28046	3.2
551.26361	1.0
555.22467	1.1
569.27637	13.1
570.24695	11.7
571.25562	100.0
572.25702	4.2
585.27100	2.3
595.25317	1.2
613.26587	67.3
614.26904	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	613.2661
Annotation	Karajinone B
Peak:m/z	Relative Intensity
59.38272	0.7
61.02287	0.7
64.22520	0.7
67.05499	1.2
71.48542	1.3
73.19816	0.7
79.05492	1.7
81.07062	1.5
93.07059	1.7
95.08624	1.1
105.07043	1.8
107.08620	1.3
109.06541	2.1
109.10143	1.3
119.08591	1.2
121.10155	1.4
123.19149	0.8
133.10092	1.0
149.09593	0.9
164.94275	0.8
171.11758	0.9
204.97295	0.8
295.23132	0.9
332.92712	0.8
380.16388	1.4
381.17114	1.8
393.17755	0.9
395.18948	3.0
396.19611	3.5
409.16281	1.9
409.20737	1.3
410.21591	1.3
411.22119	1.6
423.18225	2.4
424.19003	4.7
425.20065	1.3
437.15698	1.6
438.20538	2.5
439.21344	5.0
445.22269	1.2
451.16669	3.7
452.18146	1.4
465.18781	1.5
466.19803	5.3
467.20938	3.0
479.20813	2.7
482.23077	1.5
483.23615	2.2
493.22128	2.4
497.25595	1.3
510.22742	2.1
512.24048	1.1
525.25049	10.3
538.22186	2.8
539.23389	1.6
553.24469	17.9
557.27856	1.2
581.24152	1.1
585.27264	1.7
613.26593	100.0
614.26996	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	613.2657
Annotation	Orthosiphol J
Peak:m/z	Relative Intensity
56.87746	0.8
58.24460	0.8
62.83510	0.7
67.05482	1.0
69.07082	0.9
69.54983	1.6
69.55376	5.3
95.08611	1.5
95.29716	0.8
152.72002	0.8
173.10725	1.2
181.02896	0.8
209.10788	1.8
210.11610	1.1
211.12386	1.9
221.10753	2.0
223.12396	1.9
224.13283	0.9
225.13911	1.7
233.10725	1.6
235.12306	1.8
236.12988	1.3
237.13841	4.4
238.14632	1.0
239.15445	1.5
247.12352	1.4
249.13882	2.4
251.15535	2.0
253.17047	1.6
261.13953	3.1
262.13626	0.8
275.15469	1.1
279.14667	1.2
314.16245	0.8
318.16129	1.0
326.16440	1.0
338.16525	1.0
339.16327	1.5
342.19556	0.9
351.16483	1.6
352.17596	1.9
353.17883	2.7
354.18735	1.5
363.16293	1.5
364.17606	1.5
365.17923	1.6
366.19333	3.2
367.19269	3.6
368.20932	0.9
377.17719	2.1
378.18942	1.6
379.19714	1.3
380.20584	1.1
381.16833	1.8
381.20883	2.3
382.17810	1.2
382.22449	1.1
383.22327	2.0
393.16690	1.1
393.21216	2.0
395.18817	2.9
407.18439	1.9
407.23123	1.4
408.19913	1.3
409.20337	3.4
410.21262	1.5
411.21909	2.8
419.18311	1.0
421.19778	4.0
422.21039	2.7
423.17493	1.0
423.22290	1.2
425.19855	3.7
435.22018	2.9
436.22540	1.2
437.23315	4.8
439.21310	7.1
440.22079	1.6
447.21994	2.2
449.23132	2.9
450.18326	1.0
450.24411	1.4
451.21646	1.1
453.23029	3.3
455.62991	0.8
463.20425	1.8
463.25674	1.8
464.21899	0.9
465.22791	1.9
467.20477	1.9
469.26654	1.7
473.23233	1.0
475.21237	4.2
476.22131	1.0
477.23050	1.9
480.22061	1.0
482.23425	1.3
483.19702	2.1
483.24756	1.5
491.24429	2.7
493.22559	1.1
497.25885	6.3
498.26285	1.7
501.23532	1.3
507.24426	1.2
508.24817	1.7
509.25690	1.9
511.23642	1.6
512.24567	2.2
514.25836	1.0
523.20099	1.4
523.27063	11.7
524.26782	0.9
525.25043	3.4
526.26208	7.6
527.26929	4.5
529.28107	2.2
535.23364	1.8
536.24048	1.0
539.24792	0.9
541.28168	36.0
551.26605	7.5
552.24463	1.5
553.24518	4.1
567.25995	5.5
569.27631	12.6
570.24658	4.6
571.25537	38.5
572.25293	1.5
577.24365	2.2
581.23865	2.5
585.27094	9.9
595.25433	16.3
613.26544	100.0
614.27142	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	613.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48569	0.8
55.05524	1.0
67.05514	1.7
79.05505	1.6
81.07060	2.4
91.05460	1.6
93.07037	1.5
95.08609	2.3
98.21461	1.8
104.20921	0.7
105.07042	1.1
107.08579	1.0
119.08627	0.9
121.10153	1.0
131.08702	0.8
156.85030	0.8
166.16757	1.0
209.10872	1.3
210.11662	0.9
216.55334	0.8
223.12427	1.3
225.14014	1.4
231.28380	0.8
235.12228	1.1
237.14023	1.3
238.14828	1.6
249.13986	1.8
251.15582	1.2
300.15012	0.9
302.13098	1.3
312.14996	1.2
339.16068	1.0
353.17950	1.5
354.18912	1.0
363.15942	0.9
376.17197	0.9
378.18649	1.4
379.19354	2.2
383.18527	1.0
391.19394	2.2
393.20880	2.6
405.20975	1.2
406.18076	1.0
407.18149	1.2
407.22690	1.8
409.20239	2.2
410.17316	1.6
411.22040	1.3
417.21246	1.1
419.18600	1.4
420.19308	1.8
421.20245	6.8
423.17587	1.0
423.22464	1.6
424.19321	2.4
425.19119	4.3
433.20270	2.2
435.21964	3.6
436.22446	3.4
437.24347	4.4
438.20364	1.2
439.21274	10.4
440.21902	1.6
447.22305	1.2
449.24374	4.2
450.18472	1.8
450.24271	3.1
451.21286	2.6
452.22729	1.3
453.22934	3.9
454.24203	0.9
455.24503	1.7
463.21106	3.3
463.25842	2.1
465.22870	3.5
473.23096	1.1
474.23837	1.0
475.21124	5.5
477.22849	2.8
481.25699	1.0
491.24557	4.4
498.26273	1.1
507.24176	1.1
508.24408	1.9
509.25491	2.9
511.23535	2.0
512.24408	2.7
513.28497	1.2
519.23895	1.2
523.27161	25.4
524.27313	3.1
526.26074	7.5
533.25867	1.3
537.25214	1.7
540.26465	1.8
541.28162	76.0
542.28656	3.2
550.25134	2.0
551.26392	10.9
552.24481	6.2
553.24762	1.1
567.26190	2.3
569.27655	18.5
577.24286	1.7
595.25494	5.8
613.26599	100.0
614.26904	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.266
Annotation	Karajinone B
Peak:m/z	Relative Intensity
61.99576	1.7
71.09291	3.2
72.08160	2.0
93.07076	2.7
95.08633	2.1
104.11362	1.8
121.65777	1.7
129.01082	2.3
151.07671	1.7
163.77153	1.8
164.66783	1.8
173.08327	1.9
174.09137	6.3
184.10045	1.7
187.08696	2.0
187.12340	4.6
188.10828	4.2
197.10760	3.1
199.08643	1.7
215.11902	2.2
216.14671	1.8
225.10344	3.6
226.10899	2.2
227.11819	5.2
235.08778	3.6
239.11806	2.6
241.13440	4.0
243.11319	19.5
249.10187	4.6
251.11966	2.0
253.09888	2.4
267.11353	8.2
269.12936	6.7
277.09735	2.8
287.13992	5.4
295.10873	7.1
309.12457	2.3
327.13467	8.8
328.14713	2.1
330.12366	2.2
342.12555	4.2
343.13147	2.6
344.14008	3.7
346.15485	2.1
348.13470	4.0
356.13962	3.2
358.15662	5.1
368.13922	1.7
370.15811	3.4
372.17181	4.2
400.16684	3.8
418.17911	2.7
421.16910	2.1
435.18198	2.0
446.17981	1.9
449.19974	2.6
465.19205	5.1
477.19199	3.8
478.19525	3.4
479.20563	4.9
480.21304	3.6
490.19937	4.0
492.21988	3.6
493.22418	2.0
507.24112	4.0
517.22272	3.5
535.23438	17.1
539.22766	2.0
541.25018	2.2
553.24561	75.8
554.25372	3.0
563.23169	3.8
581.23932	50.2
595.25940	2.0
613.26569	100.0
614.26904	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	611.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52376	1.4
53.03949	3.8
54.14551	1.2
55.01871	2.9
55.05515	20.8
57.03437	5.5
57.07077	4.7
65.03954	3.0
67.05508	49.0
69.07078	21.1
69.24341	10.6
69.24754	3.9
71.05013	2.5
71.08622	1.5
73.04751	2.8
79.05492	36.3
81.07063	57.9
81.67760	1.5
83.04980	2.6
83.08617	12.1
86.97595	1.4
90.55745	1.5
91.05460	30.5
93.07056	47.5
95.04987	3.2
95.08613	49.5
97.06542	3.1
97.10184	6.4
103.05494	1.7
105.04567	2.0
105.07038	38.9
107.08601	26.0
109.06503	4.2
109.10160	20.8
111.08071	2.4
115.05474	2.3
117.07022	15.4
119.08595	30.0
121.10162	20.0
123.11687	9.1
125.09628	2.3
128.06229	2.1
129.06998	9.9
131.08585	23.9
133.10138	23.9
135.11708	15.1
137.05980	10.7
137.13313	3.0
141.07024	2.1
142.07840	3.2
143.08546	14.3
145.10127	29.3
145.11169	2.5
147.11690	14.8
149.13283	8.6
151.07597	3.4
155.08586	5.9
157.10126	15.0
159.11705	22.4
161.13229	13.6
163.14790	3.8
163.79674	1.8
167.05591	1.6
167.08585	3.5
169.10167	7.1
171.11708	16.0
173.13269	13.4
175.14896	8.6
177.16351	1.4
181.10135	2.8
183.11745	6.3
185.13281	10.1
187.14777	7.7
189.16443	2.5
191.18060	1.7
195.11790	2.3
197.13361	6.5
199.14828	7.3
201.16510	4.2
203.18015	3.7
209.13327	2.9
211.14912	4.5
213.16454	6.7
215.18028	1.9
223.14888	2.5
225.16393	3.6
227.18033	3.0
231.21178	2.6
239.17923	2.8
241.19623	6.5
243.21199	1.7
257.19150	3.6
257.22839	1.7
259.20551	10.8
261.22205	2.5
267.21237	2.0
275.20135	2.7
277.17960	7.6
281.22690	2.2
283.20453	1.6
285.01050	2.6
285.22513	1.6
287.20105	1.7
299.23898	1.5
333.24445	5.7
335.25851	12.3
519.42102	4.3
537.43439	3.9
593.45410	8.8
611.46771	100.0
611.55249	6.2
612.46820	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	611.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.4
53.94972	0.9
55.01886	1.3
55.05516	19.8
57.03446	6.0
57.07082	2.7
65.03941	2.8
67.05509	46.5
69.07069	14.5
69.91588	3.0
71.05003	2.2
71.08653	1.6
79.05495	33.9
81.07059	46.8
83.04988	1.3
83.08618	8.8
85.06553	1.6
89.00787	1.1
91.05482	33.2
93.07050	37.0
95.04974	3.3
95.08611	37.9
97.06528	2.9
97.10177	4.2
99.08089	1.4
103.05509	1.1
105.07032	35.2
107.08600	20.1
109.10166	15.2
109.10866	1.6
111.08086	1.9
115.05456	2.2
117.07035	13.9
119.08585	29.3
121.10149	17.3
123.08128	1.1
123.11721	4.2
125.09616	1.8
128.06252	3.0
129.07016	9.0
130.07776	1.5
131.08577	23.9
131.09537	1.5
133.10141	26.1
133.11105	1.8
135.08092	1.2
135.11696	11.2
141.07028	3.2
142.07829	2.6
143.08568	13.3
145.10132	22.8
147.11699	19.7
149.13298	5.9
155.08560	5.1
156.09383	1.3
157.10139	14.1
159.11693	18.6
161.13269	12.2
163.14841	3.0
164.11671	0.8
167.08569	1.2
169.10135	7.3
170.11000	1.2
171.11681	12.6
173.13275	10.5
175.11214	1.1
175.14825	6.8
177.12773	1.1
177.16446	1.3
181.10133	3.0
183.11699	7.8
185.13255	11.0
187.14792	6.1
189.16371	2.0
195.11746	3.5
197.13245	5.2
199.14859	8.1
201.16376	3.0
203.14415	1.0
203.17857	1.1
209.13275	3.1
211.14812	4.1
213.16434	4.6
215.14366	1.0
215.18071	2.2
217.19551	1.2
223.14859	2.6
225.16605	2.1
227.18063	2.1
229.19553	1.9
231.21152	1.3
237.16420	1.5
239.18037	2.8
241.19571	8.4
243.21274	2.8
257.19037	5.2
259.20615	17.2
261.22125	2.2
267.21118	1.3
271.20654	1.0
297.22205	1.3
299.23843	1.5
309.22110	1.2
313.25482	1.1
315.23325	1.9
325.25339	1.2
327.27023	1.2
331.22934	1.3
333.24261	11.0
335.25864	15.8
337.27628	1.4
353.28705	1.3
501.35220	1.3
519.41980	8.1
537.43463	4.3
541.39038	1.3
593.45703	8.4
611.46735	100.0
612.46893	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	611.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67991	0.7
52.70459	0.8
53.03956	4.2
53.22437	0.8
55.01873	1.0
55.05273	1.2
55.05516	17.1
55.31031	0.8
57.03446	5.6
57.07071	3.3
62.67867	0.9
65.03938	2.2
67.05508	46.5
69.07076	16.8
70.74073	2.2
71.04985	1.8
71.08628	0.9
77.03918	1.1
79.05498	34.1
79.71709	0.9
81.07059	46.9
83.04979	1.5
83.08614	8.6
85.06540	1.3
91.04914	1.4
91.05484	29.8
93.07049	40.4
95.04954	3.7
95.08612	36.6
97.06543	2.9
97.10180	3.8
98.21535	0.8
99.08089	1.2
103.05560	1.1
105.04570	1.4
105.07037	32.5
107.08595	23.7
109.06539	1.2
109.10156	12.9
109.10843	1.3
111.08094	1.6
115.05466	1.4
117.07026	14.9
118.97036	0.9
119.08594	26.8
121.10156	17.8
123.08052	1.2
123.11738	5.8
125.09689	1.0
128.06241	2.4
129.07019	10.2
130.07779	2.1
131.08568	23.6
131.09532	1.3
133.10136	20.5
135.08110	1.0
135.11713	12.3
137.13264	3.0
141.07027	3.2
142.07831	2.6
143.08575	13.7
143.95216	0.8
144.09329	1.0
145.10130	22.9
147.11702	19.8
149.13255	8.2
151.11200	1.0
153.12717	1.2
155.08569	5.6
156.09370	1.1
157.10147	13.4
159.11705	17.9
161.13264	11.4
163.11153	1.0
163.14842	3.1
167.08604	1.8
168.09445	1.1
169.10146	7.6
171.11693	13.1
173.13266	14.5
175.14839	6.0
177.12787	1.8
177.16432	1.1
181.10077	2.0
183.11684	6.5
185.13225	8.5
187.11140	1.1
187.14839	5.9
189.12749	0.9
189.16460	1.5
195.11685	4.3
197.13327	6.4
199.14816	7.1
201.16423	2.8
203.18102	1.2
209.13322	2.5
211.14850	3.0
213.16394	4.5
215.17973	2.6
223.14853	1.2
225.16475	2.0
227.18097	2.0
229.19626	1.4
231.21103	1.7
239.18095	3.1
241.19620	7.9
243.21144	1.8
253.19582	1.0
257.19055	3.2
259.20593	17.7
261.22165	4.5
275.23764	1.0
277.21786	1.0
283.20642	1.1
285.12976	1.0
285.22018	1.3
287.23767	1.6
297.22156	1.0
299.23697	1.5
311.23474	1.2
315.23254	1.8
315.26807	0.9
323.23636	1.0
325.25357	1.9
331.22845	0.9
333.24225	12.4
335.25790	18.5
337.27820	1.0
339.26794	1.3
347.25873	1.3
353.28525	1.8
367.30283	1.3
458.12897	1.0
489.36368	1.2
501.41458	1.1
515.37939	1.2
519.41998	6.7
519.98511	1.0
523.38110	0.9
527.37207	1.1
537.43176	5.3
541.38867	2.0
543.40161	1.2
593.45752	9.4
599.99506	0.9
611.46722	100.0
612.47040	3.7
617.94501	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.4
52.94238	1.0
53.03937	3.2
55.01861	2.5
55.05270	1.5
55.05513	21.7
57.03440	9.0
57.07079	5.5
60.15836	0.9
65.03939	2.8
67.05505	45.5
69.07074	16.0
69.13186	10.9
71.08614	1.7
79.05496	37.3
81.07059	50.8
83.04990	1.2
83.08622	9.7
85.06556	1.6
91.05474	37.0
93.07047	45.3
95.04980	3.3
95.08605	40.7
96.25449	1.1
97.06534	4.7
97.10165	5.3
99.08089	2.4
103.96644	1.0
105.04539	1.0
105.07034	38.5
107.08595	26.0
108.08973	1.1
109.06514	2.0
109.10161	15.1
111.08075	1.5
115.05489	1.9
117.07011	15.5
119.08578	31.9
121.10144	22.6
123.11719	4.6
128.06242	3.9
129.07013	11.4
130.07820	1.9
131.08562	26.4
133.10126	23.0
135.08000	1.0
135.11678	14.7
141.06990	3.6
142.07762	2.1
143.08565	16.8
144.09311	1.9
145.10121	26.6
147.11702	20.0
148.12038	1.1
149.09637	1.4
149.13287	6.8
153.12750	1.3
155.08568	7.3
157.10118	14.1
159.11681	19.5
161.13240	14.1
163.11194	1.7
163.14851	3.8
167.08537	2.2
169.10110	6.1
171.11690	16.2
173.13249	13.9
175.14816	6.2
181.10141	2.1
183.11694	9.4
185.13271	10.5
187.14825	7.1
189.12720	1.3
189.16460	3.1
195.11729	3.3
197.13293	6.3
199.14827	9.7
201.16443	3.4
203.18130	1.2
209.13312	3.0
211.14867	4.2
213.14676	1.2
213.16447	5.0
215.17941	3.6
221.13332	1.0
223.14870	2.0
225.16394	3.3
227.18074	2.6
229.19643	2.7
231.21243	1.5
239.18045	3.4
241.19589	8.8
243.21211	2.0
257.19083	4.4
259.20587	17.0
261.22195	3.5
275.20154	1.3
285.22202	1.9
297.22223	2.4
311.23807	1.2
315.23291	1.7
325.25385	1.3
333.24243	11.2
335.25839	15.8
337.27078	1.1
339.26913	1.4
341.28516	1.1
353.28525	1.7
367.30029	1.6
471.68393	0.9
489.35526	1.6
501.34937	1.1
519.42145	7.3
527.37347	1.5
537.43091	4.7
541.39044	1.2
593.45544	9.1
611.27911	3.1
611.46674	100.0
612.46979	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	611.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.7
67.05508	1.5
69.07072	1.5
71.05001	0.9
71.49447	1.2
79.05508	1.0
81.07078	0.8
85.02933	0.7
91.05422	0.9
93.07062	1.6
95.08625	1.2
105.07052	1.3
107.08591	1.0
109.10179	0.7
157.15018	0.9
239.18161	0.7
250.66653	0.7
270.01767	0.7
303.04910	4.4
305.33188	0.8
307.63794	0.7
355.07111	1.1
356.07385	1.1
378.18854	0.9
405.16827	1.6
406.17636	1.0
407.18103	0.9
407.22778	1.5
419.18582	2.3
421.20218	2.6
422.21054	2.4
423.21695	1.4
432.19272	1.0
433.20255	5.0
434.21259	1.5
435.18124	3.7
436.19009	1.2
437.23276	4.2
446.21106	1.6
447.21780	4.1
449.19202	5.1
450.20703	2.9
451.21304	1.6
463.21597	3.1
464.22058	9.0
465.22998	5.3
477.22900	2.1
491.24158	1.0
521.25531	2.8
523.27112	1.6
533.24921	0.9
536.23944	1.3
551.26544	19.4
593.27509	2.5
611.28644	100.0
612.29138	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	611.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53286	5.7
51.02383	5.7
53.02449	5.9
53.03947	8.8
55.05532	5.0
57.03462	8.4
65.38610	5.3
67.05523	36.8
69.03424	21.9
69.07059	31.8
70.06583	22.7
71.04992	9.6
71.47734	7.5
79.05490	15.5
81.03435	12.2
81.07060	100.0
83.08621	11.3
85.02901	38.8
85.06514	11.2
86.09708	10.5
87.00834	7.0
89.06500	4.7
91.05476	11.2
93.07048	35.5
95.04977	6.5
95.08613	78.6
97.02899	16.4
97.06551	11.5
99.04427	8.0
102.98521	5.2
105.01841	10.2
105.07008	23.3
106.13911	5.9
107.08614	29.6
109.02869	14.0
109.10159	45.9
111.08076	10.3
113.09663	5.8
119.08587	17.2
121.06521	11.0
121.10134	16.8
123.08101	5.4
123.11685	22.0
125.09615	17.1
127.03913	14.7
133.10091	15.4
135.11700	14.9
137.05954	11.5
137.13174	6.7
145.04944	10.8
145.10127	7.4
149.13248	14.8
151.03908	14.7
151.14900	8.9
152.04213	6.0
153.05444	8.2
156.13516	6.2
163.14847	16.1
167.07097	8.9
181.04898	6.8
204.14380	5.1
227.07022	18.1
231.10074	7.7
273.25784	8.0
286.06601	6.6
291.26807	25.4
303.05042	54.0
309.28061	10.7
345.24210	7.6
422.82764	6.3
431.31549	8.0
432.75391	5.5
472.42380	6.2
478.88721	5.6
593.28918	7.9
611.30524	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	611.2865
Annotation	Humilinolide C
Peak:m/z	Relative Intensity
53.03927	1.4
55.05507	4.1
57.03424	1.4
57.07074	1.5
58.23585	1.1
67.05514	9.9
69.07095	2.5
71.21922	1.8
73.04739	1.2
79.05505	7.6
79.05949	1.5
81.07059	9.9
83.04971	1.3
83.08623	2.0
91.05434	5.8
93.07056	7.2
94.07378	1.1
95.08633	5.8
97.06558	1.7
105.07021	7.4
107.08595	6.3
109.10168	3.0
117.07017	2.0
119.08559	5.5
121.10166	4.1
123.11737	1.8
129.07002	1.1
131.08620	3.3
133.10149	5.3
135.11729	2.6
143.08585	2.4
145.10143	3.8
147.11705	4.4
149.09605	1.4
157.10164	3.1
159.11708	3.5
161.13274	1.6
169.10199	1.5
171.11685	2.1
175.14769	1.1
183.11729	1.3
185.13210	2.0
189.16429	1.4
199.14705	1.3
215.49615	1.1
221.10783	1.1
235.12474	1.4
237.40511	1.2
241.19609	1.1
249.14093	1.5
259.20566	2.4
275.20206	1.9
276.15082	1.3
296.44174	1.0
299.15015	1.4
303.04916	2.6
318.16208	2.3
333.24066	1.4
335.25922	2.3
351.16632	1.1
356.07401	2.0
361.15994	1.2
363.16089	1.2
365.17761	3.3
376.18036	1.6
377.17984	1.5
378.18762	1.7
379.19174	4.4
380.20151	1.8
381.20892	1.7
393.17151	4.2
393.21649	1.2
394.17902	2.2
405.17191	1.3
407.18301	5.8
408.19403	6.2
409.20096	5.2
421.20251	4.8
422.21085	17.2
423.21817	39.5
424.22290	10.0
435.22348	5.0
436.22827	3.8
437.23474	19.9
438.24048	4.5
449.18997	2.2
449.24622	2.1
453.22229	1.3
461.23550	1.5
465.27155	1.7
481.21967	11.5
492.21225	1.7
493.22647	1.6
495.23654	5.6
496.24634	11.7
508.24628	2.2
509.25748	8.7
510.26257	1.6
523.26654	1.9
536.23975	3.3
537.25073	13.7
551.26697	7.3
561.25073	1.5
568.26935	8.7
569.27612	22.3
569.36102	1.8
579.26062	26.3
583.29169	100.0
584.29388	3.0
593.26294	1.3
593.45587	2.2
611.28638	71.6
611.46161	20.4
612.28851	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.8
55.05508	2.4
65.03938	0.8
67.05515	4.4
69.07068	2.7
71.48754	0.8
71.83549	0.7
72.64664	0.7
73.04760	12.1
74.04701	1.4
75.04482	2.6
79.05495	4.2
81.07050	7.7
86.57968	0.9
88.23782	0.8
91.05849	13.7
92.05745	1.8
93.07054	6.3
95.08614	5.4
97.06537	1.2
97.10204	1.0
105.07043	4.2
107.08602	2.7
109.10151	1.8
114.07382	2.4
117.07037	1.2
119.08565	3.8
121.10155	2.0
131.08611	2.3
133.10146	1.3
135.11716	2.0
137.06010	1.4
139.37646	0.8
143.08566	1.2
145.10141	1.8
147.11742	1.5
149.04532	1.2
149.13225	1.3
157.10173	1.1
159.11761	1.8
161.13283	2.1
161.38736	0.8
167.05602	4.2
168.05630	0.9
171.11725	1.2
173.13329	1.4
177.16338	1.2
185.13342	0.9
225.04265	0.9
239.09471	4.5
240.09702	3.1
257.63190	0.8
266.99911	1.8
268.97797	2.0
269.97842	1.0
275.20007	1.0
277.18103	1.3
277.21445	1.1
285.00867	5.2
286.01120	2.5
299.06195	4.5
300.06216	4.0
305.35281	0.9
344.98193	1.0
345.97748	1.4
355.07083	8.2
356.07095	11.1
357.06961	1.3
363.16159	0.9
374.08096	1.1
379.19174	1.2
391.19995	1.0
393.21201	1.1
404.19763	0.9
405.21362	1.1
406.17838	1.6
407.18570	1.6
415.03870	0.9
416.04181	1.1
418.99380	1.3
419.99762	1.2
432.19376	1.0
433.16486	2.0
434.17468	2.8
435.17758	6.8
447.21899	3.7
448.19006	1.3
449.19388	9.8
461.19495	1.1
462.24857	1.3
463.21136	30.3
464.21985	2.0
475.21271	9.3
477.23120	2.8
490.23715	6.4
491.20355	7.8
493.26440	1.1
501.22775	1.9
508.21378	2.6
509.25690	1.6
519.23749	1.8
522.87500	1.1
536.24353	1.2
537.25006	29.1
538.25433	1.3
564.23584	7.4
579.25977	9.0
585.89691	0.9
611.28699	100.0
611.46411	7.4
612.28894	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	611.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.0
55.01888	1.0
55.05501	3.4
57.07080	1.2
62.84599	0.9
67.05512	9.0
69.07070	2.8
69.43159	1.4
69.43568	7.3
71.08614	1.1
73.04746	2.3
75.26419	0.9
79.05504	5.2
81.03432	1.6
81.07066	7.8
83.04964	1.8
83.08605	1.7
91.05446	4.8
91.21958	0.9
93.07057	5.5
95.08628	5.9
97.06558	1.2
105.07026	4.2
107.08583	2.5
109.10162	2.8
117.07034	1.7
119.08574	2.8
121.10136	1.2
131.08548	2.7
131.76276	1.1
133.10139	1.7
145.10143	2.3
147.11699	1.4
153.55421	1.0
155.08624	1.4
156.81322	0.9
157.10226	1.1
168.98483	0.9
173.13310	1.2
185.49716	1.1
196.99338	0.9
197.13322	1.3
222.11507	1.4
223.12415	1.7
234.11398	1.3
235.12384	1.5
237.13977	1.2
245.10698	1.1
261.13965	1.9
275.20251	2.5
303.04926	4.5
335.26144	1.3
350.16537	1.3
355.02390	1.0
356.06598	1.2
363.16324	1.5
364.17700	2.1
365.17474	2.3
366.18753	2.1
377.18051	2.2
378.19754	1.9
379.19141	3.3
380.20651	1.3
381.20749	3.7
391.19574	1.4
392.20840	2.4
393.21594	5.3
394.22025	1.5
395.22470	3.9
405.16681	1.3
407.18613	1.7
408.19485	1.4
409.20120	4.3
409.24615	2.1
419.18225	1.3
420.19986	1.7
421.20322	1.8
423.21964	2.0
433.20062	2.1
434.21063	2.2
435.17017	1.3
435.21811	3.3
436.22403	3.5
437.18857	4.7
439.21350	3.3
447.22034	2.1
448.22830	1.5
449.23505	2.7
451.21405	8.3
453.23361	5.1
454.24066	1.1
461.23611	2.3
462.20892	1.9
463.20761	2.2
464.20929	1.3
465.23090	5.6
467.20856	3.1
475.20801	1.5
478.21399	1.4
479.20743	7.8
481.18475	3.4
482.23386	2.2
493.22214	4.0
494.23083	6.1
495.19876	2.8
507.23947	1.9
509.21921	3.3
510.22684	19.1
523.23145	2.5
525.25134	1.9
533.24091	2.3
535.23193	1.5
537.21344	1.9
550.22168	1.6
551.24036	3.2
565.24994	1.5
567.25861	11.7
568.23065	1.3
569.23981	83.8
570.24084	1.2
583.24969	5.1
610.45398	2.7
611.25208	100.0
611.46973	5.3
612.25201	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	611.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
53.37978	0.3
55.05493	0.4
57.03425	0.4
61.02926	0.3
63.37313	0.2
67.05505	0.4
68.99783	0.5
69.03420	1.2
69.07065	0.4
70.06599	2.3
71.04985	1.1
71.48374	0.4
72.08145	0.6
81.03416	0.8
81.07045	0.5
84.08148	0.5
85.02908	3.1
86.09720	1.4
87.00822	0.4
87.04447	0.3
91.05453	0.4
93.07049	0.5
95.08556	0.3
97.02892	0.7
107.08595	0.3
109.02887	0.5
109.06475	0.4
113.72985	0.3
115.05452	0.7
116.07083	0.9
119.04983	0.4
119.08459	0.3
120.08080	0.6
120.45404	0.2
121.06493	0.4
123.04386	0.3
123.08077	0.3
125.09631	0.5
127.03914	0.5
128.06219	3.7
129.07001	1.0
131.04944	0.8
131.08580	0.8
137.02351	0.3
137.05991	1.3
141.07056	0.7
141.09030	0.3
143.08580	5.2
145.04926	0.3
145.06502	0.5
145.10004	0.3
147.04405	0.7
153.06976	1.6
154.07825	0.5
155.06065	0.5
155.08563	1.6
156.05672	0.4
157.06468	0.6
159.04416	2.4
159.08095	1.4
163.07419	0.4
165.01891	0.5
171.04413	2.7
171.08075	4.3
173.06010	0.6
175.03996	0.3
181.06522	1.1
183.08072	0.3
184.05202	2.2
185.06007	1.3
187.03932	0.9
187.07536	0.5
188.08394	0.3
197.05873	0.3
199.03925	10.4
199.07568	12.0
201.09175	0.5
212.04713	4.1
227.07045	100.0
228.07433	1.4
245.08110	0.8
247.09521	0.3
257.04605	0.5
268.82535	0.3
303.04996	9.6
303.10199	0.4
314.09186	0.3
315.04974	0.3
315.10175	0.4
317.07983	0.4
331.09467	0.8
332.10498	1.9
333.11310	3.4
341.11865	0.4
343.09525	1.5
353.07776	0.3
357.11212	1.5
359.12753	0.4
367.09552	0.5
385.10751	1.5
403.11899	0.5
413.10449	0.6
431.11386	31.7
432.11658	0.7
449.12350	27.8
450.12369	0.7
461.09116	0.4
491.09561	0.6
515.09991	0.3
551.12146	1.5
607.93817	0.3
611.22205	0.5
611.31348	0.4
620.12592	0.3
621.67719	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1611
Annotation	Orientin 3'-O-glucoside
Peak:m/z	Relative Intensity
51.77928	0.5
53.60643	0.5
55.01866	0.8
59.83843	0.5
62.42280	0.5
69.03413	0.6
69.98925	2.5
70.06592	2.8
71.04922	0.6
72.08131	0.8
81.03400	1.4
84.08115	1.1
85.02888	1.1
86.09700	0.9
97.02831	1.2
98.20854	0.7
109.02875	1.2
121.02808	1.1
131.04836	0.9
135.04378	2.1
136.07526	0.6
137.02338	5.7
141.01813	0.7
144.08087	0.6
146.05905	0.7
147.04398	0.6
149.02313	1.6
153.01892	0.8
159.04372	0.7
161.02304	1.7
163.03934	3.0
165.01846	11.7
167.03346	2.5
177.01817	1.7
179.03371	1.4
181.04901	0.7
182.97331	0.5
183.02927	3.6
187.03868	1.8
191.03281	1.1
195.02899	1.3
205.04886	1.5
215.03462	0.7
227.06975	1.6
230.11096	0.6
233.04486	1.0
243.02856	1.6
245.04607	1.2
255.06578	1.7
260.31854	0.6
283.06009	8.5
286.04718	3.9
287.05484	8.4
295.05835	1.3
297.07535	6.5
299.05511	100.0
300.06299	9.1
303.05066	2.1
309.07596	1.0
311.05472	11.6
311.09137	2.3
312.18051	0.6
313.03683	0.7
313.06885	3.1
321.07449	2.1
323.05579	2.3
324.06366	2.5
325.03622	1.4
325.07065	21.8
327.04517	0.7
329.06567	80.9
330.06964	0.9
337.07114	2.9
339.05255	0.8
339.08624	17.7
341.06427	1.5
349.07050	3.7
351.04770	0.6
353.06564	38.3
365.06595	10.8
367.08121	3.6
377.06567	9.9
383.07608	16.8
395.07608	20.2
413.08694	21.7
431.09818	24.2
431.15829	0.9
449.10779	3.5
461.10733	7.4
473.10672	0.7
491.11880	15.4
510.21786	0.6
515.11865	8.6
539.12103	1.0
545.12921	13.5
557.13092	4.0
575.13849	9.0
593.15021	11.8
611.15961	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	610.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31058	0.2
55.01870	0.7
63.02389	0.4
69.03416	0.3
70.06594	1.2
71.01357	4.0
71.48176	0.3
72.08142	0.4
78.48628	0.2
79.05486	1.2
84.04465	0.3
84.08145	0.6
86.09707	0.3
89.02401	4.1
89.03922	5.6
92.98315	0.2
99.00281	0.2
99.00822	1.5
106.63037	0.2
107.04959	2.4
114.41886	0.2
117.03381	8.1
120.08123	0.3
120.66209	0.2
123.04393	1.1
129.10231	0.2
135.04424	15.9
136.05319	0.3
137.02344	0.6
137.05998	0.3
145.02855	11.5
153.07007	0.4
163.03909	100.0
164.04268	0.5
165.01836	0.3
177.07024	0.5
180.00113	0.3
181.05040	0.3
181.06525	0.8
195.08049	0.2
199.07564	0.7
203.03415	0.3
205.06523	2.0
205.12048	0.2
215.01929	0.7
223.07637	2.0
227.07031	0.8
233.06012	2.1
237.05325	0.3
244.07271	0.4
245.08098	4.0
251.07034	4.8
255.06473	0.3
261.05469	0.7
267.49680	0.2
269.08081	3.8
277.12680	0.2
279.06506	5.6
283.06165	0.5
289.04852	0.3
297.07593	13.7
298.07727	0.3
307.06033	2.4
325.07065	8.9
343.08185	1.0
406.17398	0.3
459.09253	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1606
Annotation	Rutine
Peak:m/z	Relative Intensity
53.03966	0.4
54.32512	0.5
56.41421	0.5
57.03434	1.3
59.01246	0.6
61.02908	0.8
63.58102	0.5
69.03423	1.2
69.72356	0.5
69.94479	1.2
69.94871	1.1
71.05002	11.5
75.04453	0.6
81.03427	0.8
83.04971	0.7
84.14834	0.5
85.02914	14.9
87.04486	0.6
88.71465	0.4
97.02848	0.8
106.59464	0.5
111.00801	0.9
121.02874	0.8
127.44526	0.6
129.05498	3.3
137.02414	2.8
137.03284	0.5
137.42055	0.5
145.04980	0.8
147.06522	1.0
153.01834	2.1
163.03917	0.7
165.01884	2.4
183.02902	0.9
198.01962	0.5
201.05475	1.8
229.05112	2.9
257.04483	2.2
260.38727	0.5
274.04974	0.6
285.03983	1.1
303.05008	100.0
304.05408	1.9
366.39691	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4518
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	1.2
51.02370	1.8
53.03953	7.0
53.58039	0.7
55.01639	0.6
55.01873	7.4
55.05514	23.4
57.03439	11.3
57.07070	1.8
63.41384	0.8
65.03941	4.5
66.48616	0.7
67.05510	65.9
69.03417	2.0
69.07072	29.7
69.12731	0.7
69.13069	8.3
69.39883	0.8
71.04968	2.6
72.98723	0.8
77.03908	1.8
78.04654	0.7
79.05499	65.5
80.51884	0.8
81.03428	5.2
81.07065	69.1
83.04995	7.4
83.08160	0.7
83.08623	9.1
85.06537	4.7
91.05486	75.3
93.07052	72.6
95.01347	7.2
95.04482	0.8
95.04981	10.9
95.08615	44.6
97.05926	1.0
97.06532	14.1
97.10172	4.4
98.16193	0.7
98.21535	1.6
99.04430	3.3
99.08109	1.4
100.86232	0.7
103.05448	2.3
105.04495	2.6
105.07039	68.0
107.04957	14.2
107.08605	29.5
109.06515	8.9
109.09471	1.2
109.10159	14.5
111.08086	4.0
111.11592	0.7
113.09630	1.0
115.05432	2.7
116.06245	1.5
117.06231	1.3
117.07026	21.0
119.08592	42.0
121.06495	2.8
121.10153	26.1
123.04389	1.9
123.08051	4.8
123.11674	3.4
125.09626	1.9
129.07007	5.9
130.07800	0.9
131.08578	33.1
133.06552	0.9
133.10144	37.5
135.08058	4.8
135.11705	14.0
137.09547	3.7
137.13240	0.7
139.11116	1.0
141.06998	1.9
143.08571	5.3
144.09282	0.7
145.06467	2.0
145.10144	21.0
146.10812	0.8
147.08005	0.9
147.11691	14.8
149.09590	6.1
149.13264	6.3
151.11165	1.7
153.12695	1.4
155.08514	2.3
157.10139	4.1
159.11690	14.4
161.13257	7.7
163.11168	3.8
163.14857	2.0
165.09081	2.6
169.10106	2.4
171.11688	2.4
173.13248	7.1
175.11250	1.3
175.14809	2.8
177.12756	3.3
178.77226	0.8
179.14336	12.4
183.11731	2.4
185.13295	3.8
187.11148	2.4
187.14790	2.0
189.16512	0.8
193.12340	0.8
195.13806	0.8
197.13234	2.9
201.16370	5.3
203.14368	4.4
205.12231	1.8
211.14769	0.9
215.14293	0.7
219.17456	100.0
220.17696	1.4
223.13416	0.8
229.19489	1.6
233.15685	0.8
239.18098	1.7
247.20555	2.1
257.19089	6.4
261.22055	2.1
275.20081	74.1
293.21112	5.1
307.50491	0.7
335.25925	2.1
349.23703	3.3
350.63641	0.7
543.40436	1.0
571.77576	0.8
591.25647	0.9
600.27722	0.8
609.27258	5.3
609.45135	64.8
610.45740	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	609.4517
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
53.03949	1.4
55.01870	2.1
55.05517	15.0
57.03430	4.7
57.07068	2.1
67.05180	1.6
67.05510	21.8
67.08871	1.0
69.07075	12.1
77.03912	1.0
79.05499	18.1
81.07064	26.7
83.04964	1.6
83.08628	7.0
85.06552	2.2
91.05472	14.3
93.07050	17.8
95.08614	19.2
97.06524	2.3
97.10181	3.3
97.40884	0.9
105.07044	13.9
107.08611	11.4
109.06540	1.0
109.10152	9.4
111.08075	1.4
115.05462	1.1
117.07018	9.0
119.08597	14.9
121.10148	6.7
123.08111	1.2
123.11701	2.0
128.06232	2.8
129.07016	10.3
130.07814	1.1
131.08577	13.6
133.10149	9.6
135.11697	4.2
141.06989	5.2
142.07799	4.0
143.08566	15.2
145.10132	14.2
147.11707	5.8
149.13278	1.9
153.06995	2.6
154.07841	2.2
155.08575	13.5
156.09320	2.4
157.10135	16.9
159.11700	10.9
161.13263	3.3
163.14771	1.4
165.07076	1.4
167.08562	6.5
168.09381	3.1
169.10156	17.7
171.11739	12.8
173.13303	5.4
175.14886	3.0
179.08604	2.5
180.09528	1.1
181.10112	8.5
183.11691	13.3
185.13301	6.5
187.14870	3.5
193.10172	3.3
194.10918	1.2
195.11690	9.3
196.12494	1.5
197.13295	12.2
199.14867	5.4
201.16476	2.8
203.17896	1.1
207.11784	4.3
209.13319	8.4
210.13930	1.2
211.14825	9.9
213.16437	4.5
221.13306	3.2
223.14896	6.6
225.16393	6.7
227.18039	2.8
235.14885	2.7
237.16473	4.3
239.18037	2.8
241.19492	2.1
251.17998	3.6
253.19595	2.5
257.18991	1.2
261.53348	1.1
263.17868	1.9
265.19775	1.8
279.21072	1.5
305.22665	1.2
309.22070	1.4
321.22144	2.1
337.25299	1.5
343.72992	1.0
351.27063	1.6
355.06921	1.6
355.26520	1.2
363.26996	1.5
365.28299	1.8
377.28729	1.4
379.30090	1.5
393.31671	1.7
405.98575	1.1
422.24118	1.6
437.34058	1.5
447.32574	1.9
464.19916	1.3
499.39618	2.3
517.40369	13.5
535.41815	8.5
549.25067	2.6
553.42578	1.1
555.41626	1.1
573.43402	2.3
591.44073	18.7
609.28235	12.2
609.45160	100.0
610.27936	1.8
610.45673	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4518
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86958	0.7
53.03932	1.9
55.01871	1.2
55.05276	0.8
55.05516	14.2
57.03441	4.4
57.07074	1.5
61.48355	0.8
65.03957	1.8
67.05510	26.1
69.03408	0.7
69.06724	1.2
69.07075	12.8
70.65697	1.7
70.66051	0.8
71.04994	1.4
79.05501	18.6
79.05964	1.1
81.07062	24.1
83.04993	1.1
83.08624	7.4
85.06554	1.5
91.05486	12.7
93.07053	18.8
95.04943	1.0
95.08616	21.3
97.06533	2.3
97.10179	3.0
99.08070	0.8
105.07037	17.1
107.08599	12.3
109.06482	1.2
109.10179	8.9
111.08083	1.7
115.05482	2.6
117.07023	9.0
119.08591	15.4
119.09336	0.5
121.10162	8.9
123.08097	0.8
123.11733	3.5
124.29554	0.7
125.09653	1.7
128.06213	3.3
129.07031	11.5
130.07748	0.9
131.08585	12.0
133.10144	11.2
135.11685	5.0
137.13257	1.2
141.06998	4.9
142.07797	2.7
142.47072	0.8
143.08575	12.2
144.09306	1.3
145.10127	14.7
145.11275	0.7
147.11684	6.1
149.13292	2.2
153.06998	1.5
154.07814	1.8
155.08566	12.9
156.09409	2.6
157.10139	14.3
159.11719	9.9
161.13290	3.7
163.14819	0.9
165.07066	1.3
167.08606	6.0
167.09921	0.9
168.09395	2.5
169.10129	14.0
170.10826	0.8
171.11697	12.2
173.13257	7.4
175.14818	1.7
179.08595	1.5
180.09367	1.0
181.10132	9.1
182.10936	1.6
183.11696	15.0
183.13222	1.1
184.12466	1.2
185.13266	10.7
187.03995	2.8
187.14771	3.8
189.16464	1.3
193.10165	3.0
195.11711	8.9
196.12454	0.9
197.13268	12.7
199.14851	5.1
201.16431	2.3
205.10185	1.0
207.11751	4.1
209.13260	10.2
210.96776	0.7
211.14812	6.7
213.16447	4.0
214.82219	0.8
215.18030	1.6
219.11696	1.7
221.13313	2.8
223.14839	6.8
225.16434	4.6
227.18047	2.0
233.13147	1.2
235.14848	2.6
237.16283	3.8
239.18086	3.6
241.19756	1.2
247.14702	0.9
249.16443	2.2
251.18039	2.4
253.19646	1.7
257.18936	0.9
263.17905	0.8
265.19656	2.2
267.21161	0.8
279.21021	0.9
283.20593	1.3
291.20950	1.0
295.20737	0.8
297.22293	0.7
299.19998	1.0
307.20602	1.5
309.22205	1.0
311.20059	1.0
311.23511	1.2
313.21783	0.8
321.22183	1.4
323.23828	1.9
325.21799	1.3
325.25348	0.9
335.23868	1.0
337.25299	1.3
339.23209	1.2
347.23486	0.8
349.25272	1.8
351.26859	2.6
353.24844	0.9
361.25226	0.9
361.32108	0.8
365.28400	1.8
367.26230	1.1
369.28043	1.4
379.30417	0.8
391.29892	0.9
393.27499	0.9
395.29749	0.8
405.31888	1.1
409.31311	0.8
421.30951	0.9
425.30270	0.8
429.31360	1.0
447.32547	2.1
499.39459	2.6
517.40558	12.7
523.66998	0.8
535.41547	7.6
539.37396	1.1
545.64435	0.8
549.24542	1.0
555.41907	1.3
567.40356	1.1
573.42969	2.1
591.29816	0.8
591.44037	13.5
609.27930	7.7
609.45184	100.0
610.45758	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	609.346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	9.9
55.05500	14.6
64.09451	8.6
67.05501	28.8
69.03422	19.8
69.07065	34.7
69.24785	20.2
69.25187	47.2
70.06600	19.1
71.04996	12.1
72.08163	7.7
74.11581	6.0
78.88715	7.4
79.05511	16.7
81.03387	9.9
81.07056	87.2
83.08616	13.7
84.08138	9.1
85.02901	22.7
85.06546	10.0
86.09708	19.6
87.00844	8.7
91.05476	11.8
93.07047	24.2
95.04972	13.7
95.08606	100.0
97.06541	9.8
97.10174	14.9
98.20793	16.2
99.04478	9.2
99.08075	9.2
100.00175	7.3
105.07054	31.8
107.08589	26.5
109.06521	11.9
109.10163	51.2
111.08080	8.2
119.08614	21.6
121.06615	6.9
121.10156	26.7
123.04476	9.3
123.08067	12.7
123.11725	28.6
125.09627	19.9
127.03905	15.0
129.10277	8.3
133.10133	9.7
133.47334	7.0
135.08011	9.3
135.11696	14.4
137.09584	9.1
139.11101	11.4
145.10156	16.3
147.11754	12.9
149.13293	8.9
151.14833	25.8
153.12775	7.0
157.10179	8.2
159.11684	10.6
165.12552	6.8
169.30695	7.5
277.74811	7.1
289.05267	12.9
307.26260	37.7
313.07071	9.5
325.27417	10.4
343.22336	19.7
361.23846	8.3
447.37997	7.6
565.29572	36.2
591.27502	16.1
609.13666	10.8
609.29126	97.7
614.64087	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	609.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	25.0
57.07082	10.8
58.19931	6.3
67.05514	34.5
67.05821	7.1
67.82741	5.9
69.03419	13.3
69.07079	32.6
69.32236	58.0
70.06588	15.0
71.04990	6.7
71.77908	5.7
79.05496	17.9
81.03423	16.2
81.07062	78.2
83.08638	9.9
85.02897	22.3
85.06541	11.9
86.09694	18.6
87.00858	7.2
91.05464	9.8
91.27219	8.4
93.07043	16.0
95.08609	100.0
97.02871	9.6
97.06519	8.2
97.10167	15.1
105.01939	7.3
105.07024	19.6
107.08588	21.1
109.02908	6.6
109.06539	10.3
109.10163	44.4
111.08066	8.9
119.08619	15.6
121.10171	18.4
123.11710	20.5
125.09651	10.2
127.03908	20.2
131.08536	7.0
133.10132	18.2
135.11737	8.8
137.13315	10.6
139.11198	8.2
143.08577	7.5
145.10194	9.5
147.08076	7.5
147.11823	8.7
151.14813	19.8
157.10046	6.8
157.79529	6.6
163.14912	7.4
175.14883	8.0
192.87852	7.6
202.64154	6.1
242.82224	6.7
245.71037	6.6
289.05209	12.3
289.25351	10.1
307.26260	29.5
325.27493	13.0
343.22455	13.6
377.33224	7.8
429.30142	9.4
459.28253	7.0
565.29803	13.3
609.28906	43.7
609.37732	10.7
637.92798	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	609.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.9
55.01878	1.5
55.05509	2.8
57.03453	1.0
65.03945	1.3
67.05508	10.1
69.03430	3.1
69.07071	3.2
71.04997	0.7
71.49252	0.4
77.03938	0.4
79.05497	9.3
81.03427	4.2
81.07059	8.7
83.04990	1.1
83.08627	1.0
85.02910	1.8
89.03955	0.6
91.05486	9.8
93.07047	9.0
94.61016	0.3
95.04984	1.7
95.08611	5.7
95.09180	0.5
97.02896	2.8
97.06532	0.7
97.10177	0.8
99.04471	0.5
103.05461	0.9
105.04520	0.7
105.07043	7.0
107.04977	1.4
107.08600	4.6
109.02893	1.2
109.06545	0.5
109.10144	2.2
111.08077	0.6
115.05460	26.2
117.07020	3.8
118.90839	0.3
119.04971	0.6
119.08583	4.7
120.20081	0.3
121.06544	0.5
121.10143	3.5
123.04457	0.4
123.08052	0.7
123.11726	0.4
126.24525	0.4
127.03918	1.4
128.06216	1.0
129.06995	2.8
130.07814	0.8
131.04935	26.1
131.08563	4.1
133.06494	1.1
133.10141	3.4
134.03668	0.8
135.04448	0.4
135.08090	0.5
135.11697	1.5
140.18663	0.3
141.07033	0.9
142.07843	0.5
143.03780	0.7
143.04929	19.6
143.08543	2.1
145.06473	2.3
145.10115	3.1
147.04422	25.7
147.08044	0.5
147.11717	1.8
148.04666	0.3
149.09622	0.6
149.13281	0.9
152.06198	0.4
155.04907	0.4
155.08568	1.1
157.06487	0.8
157.09013	0.5
157.10123	2.0
159.04433	3.8
159.08037	0.4
159.11693	1.9
160.05203	0.4
161.02359	1.1
161.06024	1.7
161.09575	0.6
161.13275	0.8
163.11226	0.5
163.14775	0.4
165.07031	0.9
166.07710	0.3
167.08549	1.4
169.06473	0.7
169.10138	1.0
171.04419	13.4
171.11725	1.5
173.06015	2.0
173.13277	1.2
178.07793	0.7
179.08583	1.0
181.06499	0.8
181.10201	0.4
183.11731	0.9
184.05203	6.5
185.05988	2.5
185.09535	0.4
185.13342	0.7
187.03914	77.4
187.14720	0.4
189.05486	1.1
195.08049	1.4
195.11671	0.4
197.05992	9.1
197.13257	0.7
198.06729	0.8
199.03903	0.9
199.07549	1.4
199.14841	0.7
201.09052	0.4
207.08008	0.5
209.05962	2.4
210.06749	1.9
211.07559	2.4
211.11057	0.4
213.05510	0.6
213.09103	1.3
215.07066	0.6
221.06015	1.2
221.09378	0.4
221.13315	0.3
222.06694	0.7
223.07530	7.3
223.12350	0.3
224.08337	3.8
225.09103	3.2
227.06946	0.8
234.06783	0.8
235.07541	6.9
236.08182	0.5
237.09079	1.2
237.13895	0.5
239.07054	0.7
239.10600	0.6
241.08499	0.5
243.20978	0.5
247.07480	1.3
248.08398	0.6
249.09131	4.0
250.09956	0.3
251.06995	2.2
251.10719	1.5
253.08641	0.8
253.12366	1.1
257.19235	0.3
259.20584	0.8
261.09103	1.1
261.22238	0.4
262.09848	0.7
263.10620	1.0
264.11487	3.9
265.12134	0.6
269.08029	1.0
275.10568	0.8
275.20102	1.0
276.11374	0.3
277.12186	0.9
277.21756	0.4
285.95425	0.3
287.19904	0.5
289.12106	0.8
291.13672	0.4
298.13770	0.3
301.21539	0.9
303.13657	0.5
309.15234	0.4
309.57391	0.4
313.21780	0.5
377.17526	0.7
379.19492	0.4
389.17542	0.9
390.18341	0.5
391.19070	1.3
401.17599	0.6
403.19348	1.9
404.19974	0.9
405.20966	2.1
406.21564	0.5
407.22134	1.2
415.19220	0.6
416.19775	1.3
417.16669	1.2
417.20755	1.6
418.21756	0.7
419.17590	0.7
419.22690	3.0
420.23041	1.0
429.16364	0.5
429.24197	1.4
430.17053	1.6
431.18054	3.3
431.23779	0.5
432.19171	1.3
433.20215	6.1
434.20679	1.2
443.18506	1.2
444.18893	1.8
445.19785	6.0
446.21164	4.0
447.19620	2.0
447.25174	5.8
448.22275	1.3
449.23483	0.6
457.20071	0.6
458.20959	5.1
459.21664	3.7
460.23151	2.5
461.18835	0.5
462.19415	0.7
463.21112	1.8
471.18060	0.4
473.24072	1.5
475.21188	1.5
476.21686	1.5
477.22543	1.9
478.23358	0.5
489.18826	1.0
491.20377	0.5
503.19849	0.4
503.24652	0.6
505.22061	2.1
516.21021	0.5
517.22021	0.9
518.23016	3.3
519.23950	8.7
520.24384	0.6
521.22253	1.4
521.24915	1.3
522.22168	1.2
531.24054	2.1
532.24573	1.1
535.23096	0.6
536.23090	0.4
540.23376	1.4
549.24896	8.4
550.25800	0.5
555.27087	1.2
563.26794	0.3
573.28717	2.4
591.29376	16.3
609.26929	100.0
609.44965	3.5
610.27240	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	609.2709
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
60.55753	0.7
67.05505	0.9
71.48837	0.7
95.08634	1.3
125.24841	0.7
131.08548	0.9
135.99728	0.7
151.80641	0.7
286.37646	0.7
389.17615	1.9
391.19235	2.7
403.19351	2.0
404.20114	1.1
405.20880	6.3
406.21875	1.2
417.16464	4.2
417.21472	2.2
418.17923	2.3
419.18286	4.4
431.18320	3.9
432.19604	5.9
433.20013	5.9
445.20242	2.9
448.22897	1.0
459.22220	1.0
461.20007	2.6
462.20541	1.5
463.21530	3.0
464.22052	1.5
475.21371	1.0
476.22357	3.5
477.23575	3.6
489.22852	1.1
505.22305	17.3
508.23529	0.8
521.21606	0.9
531.23944	1.3
533.25659	2.2
535.23450	4.0
536.24152	1.4
537.24573	1.0
549.24908	11.5
565.24493	5.7
577.24377	9.7
591.25983	1.8
609.27100	100.0
610.27563	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	609.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
64.46410	0.5
67.05503	1.7
79.05516	0.9
81.07066	1.2
91.05452	0.7
93.07043	1.1
95.08615	0.8
110.17769	0.5
116.07156	0.5
118.06578	0.6
119.08652	0.5
120.08175	0.7
131.08606	0.9
185.33531	0.6
209.64539	0.6
211.93814	0.5
237.14020	0.7
249.10216	0.8
262.17200	0.5
273.11325	1.7
315.13837	0.6
330.46344	0.5
370.16116	0.6
391.19290	1.6
403.19489	0.8
405.20901	1.9
407.22549	1.2
416.20203	0.7
417.17081	0.9
418.17667	1.2
419.18158	2.7
421.24057	2.0
429.16989	0.9
431.18417	1.0
433.20102	3.6
434.21091	0.8
435.21927	1.5
445.20102	2.8
446.21161	1.5
447.17108	0.9
447.23056	2.5
448.22720	1.8
449.23209	3.5
458.21320	0.9
459.21796	1.6
461.19800	2.3
462.20471	0.9
463.21228	2.5
475.21445	1.3
476.22208	5.2
477.22934	3.7
489.23120	0.8
503.25027	0.8
519.23761	3.4
521.25262	2.3
531.24225	1.2
535.23694	0.9
549.24988	15.2
550.25281	0.8
577.23914	1.0
579.26117	1.3
581.27747	1.8
591.26031	2.2
592.26636	1.1
609.27087	100.0
610.27740	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	609.2707
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
58.38211	0.6
69.90461	2.8
72.64253	0.5
79.60194	0.5
81.50008	0.5
84.13413	0.5
119.78999	0.5
278.31284	0.5
300.14853	0.6
376.17197	0.7
377.17902	0.8
389.18240	0.9
390.18497	1.2
391.19330	2.0
392.19974	0.6
403.19806	0.9
405.20862	2.2
406.21649	2.2
407.22330	3.2
413.17792	0.6
414.18500	0.9
415.19217	2.0
420.23419	0.7
421.23911	2.7
429.20959	2.3
430.21756	1.1
431.17612	0.8
433.15500	0.7
433.20505	1.6
444.23019	1.0
445.20477	0.7
447.17917	1.1
457.24313	2.9
459.21616	1.7
460.22961	1.3
461.19312	4.5
462.20377	1.5
463.21286	1.2
470.21680	0.7
472.22534	1.5
474.20154	0.9
475.21204	6.5
476.21820	4.7
477.22653	4.0
485.23584	6.9
486.20721	2.4
488.21924	1.0
489.22729	3.7
493.21951	1.0
494.26813	1.0
499.21362	2.1
500.21991	1.3
503.24698	5.5
504.25003	0.8
513.23022	0.9
515.24573	7.2
517.22546	0.9
521.25732	2.6
531.23889	16.8
535.23804	0.8
541.21777	0.7
549.24969	1.6
550.25897	3.0
559.23401	6.6
577.24530	2.3
591.26038	35.7
592.26343	1.2
609.27075	100.0
610.27686	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	609.2706
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
60.99537	0.6
68.59660	0.5
70.98605	1.0
76.32074	0.6
207.09015	0.5
234.28166	0.6
376.17239	0.9
377.17676	1.1
389.18402	0.8
390.18466	1.1
391.19147	2.0
392.19846	1.8
393.20621	0.7
401.17551	0.9
403.19769	0.8
404.20816	0.7
405.21082	3.2
406.21747	1.9
407.22229	2.8
415.19324	1.9
416.19867	0.9
419.22949	0.9
420.23535	1.0
421.23767	3.9
422.24915	0.7
427.19400	0.8
428.19894	0.8
429.20834	1.5
432.19543	1.1
433.20181	1.3
433.24982	1.0
435.22040	0.8
444.23291	0.9
445.20206	0.9
447.18356	2.3
448.18921	0.7
449.23450	1.3
451.21829	0.7
457.24026	1.6
459.21924	2.5
460.23010	1.6
461.19257	5.5
462.20627	2.1
463.21277	1.2
472.22641	0.6
473.19772	0.9
474.20151	1.3
475.21045	7.0
476.21780	5.5
477.22446	3.7
478.23669	1.0
485.23581	6.2
486.20605	1.9
488.21982	1.3
489.23114	5.2
493.22336	1.0
494.26892	1.1
499.21359	4.4
500.22073	1.6
503.24731	6.2
504.25430	0.9
505.21976	0.9
513.22791	1.1
515.24420	6.0
517.22644	1.7
521.26343	2.9
531.23926	9.1
533.24890	0.7
541.22192	0.6
549.25220	1.8
550.25946	3.7
559.23364	5.5
563.26807	1.7
576.22949	0.6
577.24634	2.1
591.26062	14.8
609.27112	100.0
610.27435	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2708
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
56.99432	0.4
65.61820	0.3
66.18107	0.3
67.05531	0.3
69.07035	0.4
69.55189	1.8
81.07065	0.4
84.27991	0.3
119.08577	0.3
145.10149	0.4
195.46419	0.3
251.15334	0.5
253.42955	0.3
363.40057	0.4
389.18091	0.4
390.18552	0.4
391.19135	0.7
401.17874	0.6
404.20300	0.5
405.20883	0.9
406.21713	0.3
414.18332	0.8
415.19226	1.8
416.20023	0.9
417.21069	1.1
418.17957	0.5
419.18222	0.9
419.22629	1.1
420.23804	0.5
427.19659	0.3
428.20242	0.4
429.20831	2.5
430.21689	1.1
431.18658	1.3
431.23047	0.8
432.19611	1.0
433.25061	2.2
434.21204	0.9
435.21738	0.8
443.23022	1.7
444.23944	1.6
445.19580	0.6
445.24747	0.6
447.22757	1.9
449.23462	1.1
457.20114	0.4
458.24796	1.0
459.21277	4.1
460.23093	2.9
461.19205	1.7
461.23553	2.5
462.19836	2.5
463.21097	0.4
471.21695	0.5
472.22424	2.4
473.23163	1.1
475.20819	0.9
475.25494	0.6
476.22021	2.2
477.22919	2.3
485.23080	1.3
486.24243	0.5
487.25049	3.9
489.22894	1.2
490.24033	0.5
492.25204	0.4
503.24722	2.9
505.18677	0.8
517.22681	0.6
518.22931	0.4
519.23950	2.5
520.25116	0.4
521.21497	3.4
531.23944	21.7
532.24628	1.6
534.22723	0.5
549.24994	12.0
550.26263	0.6
563.26587	0.8
591.26105	3.8
609.27045	100.0
610.27478	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2713
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
64.46410	0.5
67.05503	1.7
79.05516	0.9
81.07066	1.2
91.05452	0.7
93.07043	1.1
95.08615	0.8
110.17769	0.5
116.07156	0.5
118.06578	0.6
119.08652	0.5
120.08175	0.7
131.08606	0.9
185.33531	0.6
209.64539	0.6
211.93814	0.5
237.14020	0.7
249.10216	0.8
262.17200	0.5
273.11325	1.7
315.13837	0.6
330.46344	0.5
370.16116	0.6
391.19290	1.6
403.19489	0.8
405.20901	1.9
407.22549	1.2
416.20203	0.7
417.17081	0.9
418.17667	1.2
419.18158	2.7
421.24057	2.0
429.16989	0.9
431.18417	1.0
433.20102	3.6
434.21091	0.8
435.21927	1.5
445.20102	2.8
446.21161	1.5
447.17108	0.9
447.23056	2.5
448.22720	1.8
449.23209	3.5
458.21320	0.9
459.21796	1.6
461.19800	2.3
462.20471	0.9
463.21228	2.5
475.21445	1.3
476.22208	5.2
477.22934	3.7
489.23120	0.8
503.25027	0.8
519.23761	3.4
521.25262	2.3
531.24225	1.2
535.23694	0.9
549.24988	15.2
550.25281	0.8
577.23914	1.0
579.26117	1.3
581.27747	1.8
591.26031	2.2
592.26636	1.1
609.27087	100.0
610.27740	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	609.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.9
55.01878	1.5
55.05509	2.8
57.03453	1.0
65.03945	1.3
67.05508	10.1
69.03430	3.1
69.07071	3.2
71.04997	0.7
71.49252	0.4
77.03938	0.4
79.05497	9.3
81.03427	4.2
81.07059	8.7
83.04990	1.1
83.08627	1.0
85.02910	1.8
89.03955	0.6
91.05486	9.8
93.07047	9.0
94.61016	0.3
95.04984	1.7
95.08611	5.7
95.09180	0.5
97.02896	2.8
97.06532	0.7
97.10177	0.8
99.04471	0.5
103.05461	0.9
105.04520	0.7
105.07043	7.0
107.04977	1.4
107.08600	4.6
109.02893	1.2
109.06545	0.5
109.10144	2.2
111.08077	0.6
115.05460	26.2
117.07020	3.8
118.90839	0.3
119.04971	0.6
119.08583	4.7
120.20081	0.3
121.06544	0.5
121.10143	3.5
123.04457	0.4
123.08052	0.7
123.11726	0.4
126.24525	0.4
127.03918	1.4
128.06216	1.0
129.06995	2.8
130.07814	0.8
131.04935	26.1
131.08563	4.1
133.06494	1.1
133.10141	3.4
134.03668	0.8
135.04448	0.4
135.08090	0.5
135.11697	1.5
140.18663	0.3
141.07033	0.9
142.07843	0.5
143.03780	0.7
143.04929	19.6
143.08543	2.1
145.06473	2.3
145.10115	3.1
147.04422	25.7
147.08044	0.5
147.11717	1.8
148.04666	0.3
149.09622	0.6
149.13281	0.9
152.06198	0.4
155.04907	0.4
155.08568	1.1
157.06487	0.8
157.09013	0.5
157.10123	2.0
159.04433	3.8
159.08037	0.4
159.11693	1.9
160.05203	0.4
161.02359	1.1
161.06024	1.7
161.09575	0.6
161.13275	0.8
163.11226	0.5
163.14775	0.4
165.07031	0.9
166.07710	0.3
167.08549	1.4
169.06473	0.7
169.10138	1.0
171.04419	13.4
171.11725	1.5
173.06015	2.0
173.13277	1.2
178.07793	0.7
179.08583	1.0
181.06499	0.8
181.10201	0.4
183.11731	0.9
184.05203	6.5
185.05988	2.5
185.09535	0.4
185.13342	0.7
187.03914	77.4
187.14720	0.4
189.05486	1.1
195.08049	1.4
195.11671	0.4
197.05992	9.1
197.13257	0.7
198.06729	0.8
199.03903	0.9
199.07549	1.4
199.14841	0.7
201.09052	0.4
207.08008	0.5
209.05962	2.4
210.06749	1.9
211.07559	2.4
211.11057	0.4
213.05510	0.6
213.09103	1.3
215.07066	0.6
221.06015	1.2
221.09378	0.4
221.13315	0.3
222.06694	0.7
223.07530	7.3
223.12350	0.3
224.08337	3.8
225.09103	3.2
227.06946	0.8
234.06783	0.8
235.07541	6.9
236.08182	0.5
237.09079	1.2
237.13895	0.5
239.07054	0.7
239.10600	0.6
241.08499	0.5
243.20978	0.5
247.07480	1.3
248.08398	0.6
249.09131	4.0
250.09956	0.3
251.06995	2.2
251.10719	1.5
253.08641	0.8
253.12366	1.1
257.19235	0.3
259.20584	0.8
261.09103	1.1
261.22238	0.4
262.09848	0.7
263.10620	1.0
264.11487	3.9
265.12134	0.6
269.08029	1.0
275.10568	0.8
275.20102	1.0
276.11374	0.3
277.12186	0.9
277.21756	0.4
285.95425	0.3
287.19904	0.5
289.12106	0.8
291.13672	0.4
298.13770	0.3
301.21539	0.9
303.13657	0.5
309.15234	0.4
309.57391	0.4
313.21780	0.5
377.17526	0.7
379.19492	0.4
389.17542	0.9
390.18341	0.5
391.19070	1.3
401.17599	0.6
403.19348	1.9
404.19974	0.9
405.20966	2.1
406.21564	0.5
407.22134	1.2
415.19220	0.6
416.19775	1.3
417.16669	1.2
417.20755	1.6
418.21756	0.7
419.17590	0.7
419.22690	3.0
420.23041	1.0
429.16364	0.5
429.24197	1.4
430.17053	1.6
431.18054	3.3
431.23779	0.5
432.19171	1.3
433.20215	6.1
434.20679	1.2
443.18506	1.2
444.18893	1.8
445.19785	6.0
446.21164	4.0
447.19620	2.0
447.25174	5.8
448.22275	1.3
449.23483	0.6
457.20071	0.6
458.20959	5.1
459.21664	3.7
460.23151	2.5
461.18835	0.5
462.19415	0.7
463.21112	1.8
471.18060	0.4
473.24072	1.5
475.21188	1.5
476.21686	1.5
477.22543	1.9
478.23358	0.5
489.18826	1.0
491.20377	0.5
503.19849	0.4
503.24652	0.6
505.22061	2.1
516.21021	0.5
517.22021	0.9
518.23016	3.3
519.23950	8.7
520.24384	0.6
521.22253	1.4
521.24915	1.3
522.22168	1.2
531.24054	2.1
532.24573	1.1
535.23096	0.6
536.23090	0.4
540.23376	1.4
549.24896	8.4
550.25800	0.5
555.27087	1.2
563.26794	0.3
573.28717	2.4
591.29376	16.3
609.26929	100.0
609.44965	3.5
610.27240	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	609.1814
Annotation	Swertiajaponin 4'-O-rhamnoside
Peak:m/z	Relative Intensity
57.03446	6.9
57.23404	0.9
63.30584	0.8
66.49489	0.7
68.99808	0.8
71.04997	35.7
71.06142	1.4
71.06477	1.2
75.04481	1.8
81.03380	0.9
83.04971	1.1
85.02908	39.1
86.09702	1.0
87.04440	1.0
100.28722	0.8
109.02853	1.5
112.60577	0.7
118.93965	0.8
123.00807	1.0
129.05478	6.1
131.40363	0.7
137.02394	0.9
147.06541	1.2
149.02332	1.0
149.05943	1.7
151.03889	4.3
163.03877	1.2
164.62015	0.7
165.01843	9.7
167.03354	1.5
175.03934	1.1
177.01924	1.0
195.02794	1.3
196.15207	0.7
243.02933	0.9
252.25905	0.7
270.05334	1.8
271.06049	2.3
282.05249	4.7
286.04663	1.7
286.08008	0.9
296.06741	7.9
297.07590	5.5
298.04749	15.4
298.07883	1.4
299.05511	1.4
300.06314	6.3
301.07050	6.6
308.06824	1.2
309.07568	1.1
310.04675	3.5
310.08365	2.8
311.09146	5.1
313.07059	93.2
314.07803	6.5
320.06427	1.2
323.05524	1.2
324.06271	12.7
325.07013	6.1
325.10574	1.5
327.08640	1.9
328.05826	17.7
335.09326	1.0
336.06335	2.4
337.06921	1.4
338.07730	6.7
339.04865	2.1
339.08618	16.6
343.08136	100.0
344.08359	2.6
348.06213	2.7
351.08734	2.5
352.05511	1.3
353.06088	1.0
353.10214	15.1
355.08063	1.2
363.08588	3.2
364.05661	2.6
365.06519	1.0
366.07254	1.2
367.08139	45.0
376.05832	2.2
379.08163	12.3
381.09686	3.3
391.08087	8.3
394.06982	1.7
397.09198	31.4
409.09189	18.8
427.10275	25.3
430.70078	0.9
445.11325	46.5
446.11594	1.2
463.12344	49.2
464.12457	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.6
55.01870	11.4
55.05502	12.1
56.18544	4.1
57.03440	20.6
57.07069	4.2
61.02918	7.6
67.05502	13.4
69.03439	42.9
69.07068	18.2
69.68153	22.2
70.06596	41.0
71.01357	9.9
71.05004	5.0
72.08159	14.3
73.02935	32.8
77.42900	4.4
79.05502	11.9
81.03424	26.2
81.07049	16.9
83.04975	10.9
84.08141	15.8
85.02909	77.4
85.06534	8.7
86.09698	25.0
87.00812	11.8
87.04486	6.0
91.05479	16.5
93.07056	24.8
95.04964	19.5
95.08604	25.8
97.02907	31.6
97.06547	11.6
99.04453	14.3
103.03968	9.7
105.01859	12.3
105.07041	33.7
107.08604	47.1
109.02919	21.8
109.06524	18.4
109.10162	17.2
111.04454	13.4
111.08122	10.0
115.03956	12.2
115.05450	5.1
117.07034	6.2
119.08588	56.1
120.08138	8.7
121.06509	9.7
121.10144	49.7
123.08083	8.8
123.11698	8.5
125.06001	14.8
127.03907	28.3
129.05481	14.1
129.06969	5.5
129.10216	6.5
131.08600	21.0
133.06541	5.0
133.10136	67.0
133.97775	3.9
135.11716	5.4
136.03964	5.7
136.07559	8.8
137.05975	8.7
137.09599	4.6
139.07634	4.2
143.07074	7.0
143.08578	10.0
145.04936	10.5
145.10141	30.6
147.06528	7.4
147.08041	7.0
147.11688	60.9
149.09642	7.8
151.07553	11.4
153.21307	4.6
155.08545	4.7
157.10162	17.9
158.10977	4.3
159.02899	10.6
159.08076	9.3
159.11728	27.9
161.09584	9.1
161.13283	8.9
169.10016	5.2
171.08122	7.6
171.11690	14.7
173.08046	4.6
173.09654	8.6
173.13257	44.2
175.11183	4.3
175.14842	70.9
177.09190	4.1
177.16266	4.1
183.11600	7.7
185.09666	7.0
185.13277	15.1
187.11177	13.7
187.14853	36.8
191.14323	5.2
193.15874	6.9
196.12381	4.3
199.14835	15.7
203.10645	5.9
211.14862	13.2
213.16489	4.4
215.10754	4.4
215.14301	4.5
217.15887	10.4
225.16277	7.3
229.15889	6.7
236.36035	4.3
241.15880	25.5
247.17039	4.4
253.15869	20.1
259.16913	10.1
270.32361	4.5
271.16937	74.6
289.17984	100.0
299.05545	10.7
307.19031	88.4
325.20117	6.7
388.77289	4.2
501.21924	4.5
519.21643	9.4
537.23254	13.8
555.24292	6.2
560.93097	4.4
608.24689	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	607.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00969	2.8
53.03942	6.5
55.01860	2.7
55.05508	19.8
57.07071	5.1
59.04998	2.9
63.99521	2.7
67.05509	27.8
67.32430	2.6
69.03433	18.8
69.07077	35.5
69.16760	25.6
69.17175	6.4
70.06607	6.1
70.92467	3.1
71.04980	5.9
79.05490	17.9
81.03411	8.3
81.06602	5.6
81.07062	100.0
83.04969	6.4
83.08601	10.0
85.02888	13.0
85.06541	9.8
87.00826	11.3
91.05480	12.9
93.07056	38.3
95.04941	5.9
95.08613	74.0
97.02866	7.7
97.06556	7.6
97.10163	20.0
98.21473	6.9
99.04440	7.8
99.08128	6.0
105.07030	16.3
107.08606	38.6
109.02891	5.5
109.06512	5.1
109.10170	31.6
111.08079	11.4
111.11709	6.7
119.08566	11.1
120.08159	4.4
121.10164	27.4
123.08048	4.5
123.11715	56.2
125.09623	9.9
127.03902	13.8
128.73663	3.0
131.08617	4.9
133.10143	11.2
135.11693	17.4
136.07527	3.1
137.13300	21.7
139.11200	18.7
139.12091	2.7
141.12593	3.6
142.97775	3.4
145.04953	4.0
145.10133	5.3
147.11679	10.6
148.11183	5.2
149.13287	44.9
151.03845	3.2
151.11189	6.0
151.14844	3.3
153.12730	7.1
155.10686	3.3
155.14215	4.3
157.08591	2.8
157.12222	19.6
159.11676	8.5
161.13240	7.4
163.14803	11.3
164.15134	3.4
164.89273	2.7
165.12656	5.2
169.12299	5.6
171.14027	3.4
177.16272	4.8
187.13335	8.7
200.53346	3.1
203.17953	3.5
209.15297	4.3
224.34624	3.1
269.22717	3.2
277.25247	6.2
287.23792	7.6
293.24716	11.4
305.24768	58.7
311.25879	4.9
323.25751	34.2
341.26892	7.0
359.27933	5.9
542.83643	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.5
55.05514	20.2
55.74429	3.1
57.07075	9.8
67.05521	26.2
69.03447	20.1
69.07075	30.7
69.16928	21.6
69.17340	8.6
70.06582	6.6
71.28096	2.7
79.05492	22.6
80.05527	2.9
81.03420	10.7
81.07063	100.0
83.08628	8.9
84.08146	4.7
85.02917	24.7
85.06559	9.8
87.00823	11.6
91.05466	14.9
93.07047	41.5
94.06637	3.0
95.04993	8.2
95.08616	63.4
97.02881	11.7
97.06539	8.8
97.10163	22.8
105.01852	10.7
105.06493	3.4
105.07046	30.5
106.79532	3.2
107.08613	53.1
109.02883	10.8
109.06519	6.5
109.10171	42.1
111.08079	6.8
111.11732	12.7
119.08588	21.5
121.10147	44.2
123.11709	83.6
125.09671	7.0
127.03950	13.3
131.08595	4.6
131.26813	3.0
131.27847	3.2
133.10129	18.4
135.11705	26.3
137.09621	4.1
137.13240	8.5
139.11252	20.2
143.08539	3.8
145.04977	7.3
145.10150	3.8
147.11674	18.8
149.12128	1.9
149.13264	58.8
157.12267	11.9
159.11717	11.5
161.13275	9.7
163.14825	15.4
171.11699	3.4
173.13322	6.9
175.14742	6.7
177.16382	4.0
181.12335	3.4
183.11632	3.4
187.14859	3.5
189.16412	6.5
203.12749	6.2
203.18028	5.5
239.20068	4.2
249.18497	4.3
259.24194	8.6
269.22751	5.2
275.23834	5.7
277.25244	9.4
287.23712	9.3
293.24841	13.1
305.24738	98.4
311.25815	5.9
323.25848	40.7
431.28009	4.9
607.27069	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	607.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	3.9
53.03936	4.7
55.05508	13.2
57.07069	5.2
58.20648	4.9
67.05505	31.3
69.03422	15.4
69.07064	28.0
69.15881	18.7
69.16308	24.4
69.47834	3.9
70.06618	4.8
71.04998	4.4
79.05505	22.7
81.03438	10.5
81.07062	100.0
83.08622	13.3
85.02923	22.0
86.09687	6.1
87.00836	11.1
90.22828	4.0
91.05500	14.7
93.07049	55.9
95.08617	61.6
97.02885	11.6
97.06548	9.0
97.10177	10.3
98.20671	6.9
99.04458	4.9
105.01875	8.4
105.07043	23.9
107.08593	44.8
109.02883	7.8
109.06528	5.3
109.10168	47.8
119.08582	26.8
121.10140	38.9
123.11725	17.8
125.09649	8.1
127.03924	15.6
129.63281	5.0
131.08606	4.9
133.10135	21.5
135.11691	30.7
137.13210	7.3
139.11217	7.5
145.10178	8.9
146.92921	4.5
147.11685	18.3
149.13264	49.5
151.11235	4.8
156.61047	4.0
159.11673	9.5
161.13231	10.5
163.14868	13.3
167.14319	6.3
173.13252	6.3
175.14766	9.2
177.16530	7.1
189.16370	11.1
193.97026	5.3
195.17625	4.0
256.27219	4.6
259.24289	7.2
269.22754	4.9
277.25079	8.2
287.23718	18.9
293.24771	17.7
305.24805	76.1
323.25729	13.3
605.89203	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	607.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65913	6.3
53.03944	11.5
55.01869	7.4
55.05506	30.5
57.07079	10.2
57.38371	6.9
67.02377	6.2
67.05505	41.9
69.03415	20.7
69.07082	39.9
70.06603	13.2
70.68211	7.8
70.68530	14.7
71.04987	8.2
72.08152	8.7
79.05485	30.6
81.03400	22.2
81.07055	100.0
83.04971	6.9
83.08610	16.1
85.02903	31.9
85.92966	7.4
87.00812	16.0
91.05482	21.8
93.07056	60.8
95.04955	10.4
95.08607	84.5
97.02872	22.6
97.06529	7.8
97.10171	25.3
99.04517	8.0
105.01837	16.2
105.07034	43.4
107.08582	77.4
109.02881	11.3
109.06531	11.0
109.10173	48.4
111.08065	18.4
119.08584	41.5
120.08086	9.6
121.10146	49.0
123.11663	32.7
125.09598	17.3
127.03903	20.0
131.08574	14.1
133.10139	27.8
135.11720	37.1
139.11205	7.2
143.08525	9.4
145.10071	15.8
147.04445	7.1
147.11652	23.7
149.13257	76.2
150.30484	5.8
157.10266	6.9
159.11678	15.8
161.09691	7.4
161.13266	14.7
163.07527	6.8
163.11206	6.5
163.14754	16.1
173.13206	7.5
175.14891	9.8
195.13786	6.1
221.40826	6.1
240.39493	6.9
277.25217	7.5
287.23672	12.9
293.24762	22.6
305.24768	98.8
307.96814	7.5
323.25940	30.5
328.77774	6.5
442.67633	7.1
506.49164	7.4
607.19666	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	607.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
66.06889	0.3
69.81957	0.3
70.66730	1.0
73.89544	0.3
78.75302	0.3
86.96151	0.3
90.93531	0.3
209.24767	0.4
216.48482	0.4
388.16730	0.6
389.17703	1.3
402.18472	0.6
403.19275	2.8
404.20013	1.0
405.20947	1.7
415.19461	0.7
416.20322	0.7
417.16348	0.7
417.21426	3.1
418.21811	2.1
419.22336	2.3
429.21176	0.7
430.17731	1.0
431.18234	6.1
431.23920	0.5
432.19437	1.4
433.24118	7.5
434.24716	0.9
443.19101	0.4
444.23865	0.7
445.19699	7.2
446.20615	3.5
447.21594	3.2
451.21432	0.4
459.21609	4.1
460.22537	9.3
461.23380	10.9
473.23782	2.6
474.24063	0.7
484.34064	0.4
487.25073	1.4
488.25674	0.5
491.24344	0.5
505.21848	1.9
515.24457	0.6
519.27155	1.5
532.24890	0.8
547.27075	37.7
548.27228	1.2
575.26642	0.7
579.29291	0.8
607.29175	100.0
608.29498	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	607.291
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
51.93236	0.5
52.65607	0.5
62.20047	0.5
62.49627	0.5
65.56640	0.6
70.73434	0.9
70.77696	0.5
76.01958	0.5
84.72200	0.5
87.57149	0.5
162.72205	0.5
389.17557	1.3
401.18024	0.7
402.18555	1.5
403.19354	3.6
404.20053	1.1
405.20538	1.6
416.20334	0.6
417.21353	3.8
418.21545	1.8
419.22345	3.4
430.17429	1.2
431.18243	8.0
432.18994	1.4
433.24142	9.1
434.24796	1.0
441.44565	0.6
445.19788	9.6
446.20810	4.3
447.21680	5.3
457.05072	0.6
459.21576	4.5
460.22580	12.3
461.23441	10.2
473.23724	3.2
474.23596	0.8
477.23032	1.0
487.24863	1.4
492.25464	0.9
505.22672	2.3
519.23700	1.7
532.24969	0.8
533.25891	0.6
547.27069	27.7
548.27496	0.6
579.29602	0.6
607.29150	100.0
608.29315	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2555
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
53.51460	0.3
55.98183	0.2
67.05506	0.6
68.21467	0.2
70.93703	0.6
79.05492	0.5
81.03378	0.3
81.07053	0.6
85.06801	0.3
107.08569	0.3
127.01002	0.3
142.28575	0.3
162.64070	0.3
180.18810	0.3
207.09277	0.3
209.10765	0.5
220.55795	0.3
223.12270	0.4
251.11880	0.3
280.88541	0.3
285.13406	0.3
314.97098	0.3
324.11472	0.4
374.15222	0.4
375.16187	1.1
387.16177	0.6
388.17114	1.1
389.17764	2.9
390.18369	1.2
391.19159	1.1
392.20364	0.3
401.18161	0.6
402.14304	0.5
402.18686	0.9
403.15424	0.8
403.19611	3.7
404.20251	1.5
405.20844	3.0
415.19540	0.6
416.16217	0.8
416.20703	0.5
417.16217	3.8
417.21182	2.1
418.17023	1.5
418.22427	0.6
419.17725	0.4
419.22510	5.9
420.23227	0.5
430.17206	0.5
431.18311	7.2
432.19202	3.3
433.20050	3.5
434.21475	0.3
435.22125	0.4
442.17844	0.4
444.19794	0.5
445.20154	4.5
446.21021	8.5
447.21768	7.9
447.31406	0.4
459.17688	1.1
459.22125	1.2
460.18658	0.6
461.19766	2.1
462.24429	0.5
463.25537	0.5
473.19562	0.9
473.24341	0.6
474.20370	4.3
475.21066	4.7
477.23004	0.6
478.23483	0.8
487.21344	2.4
488.22095	0.5
490.23843	0.5
491.20163	2.7
501.23175	1.1
504.21268	0.4
505.22321	0.7
519.24170	15.6
520.24683	0.5
532.21967	0.3
533.22290	0.3
547.23431	13.5
548.24072	0.5
561.26135	0.3
575.23315	0.5
579.26178	5.3
607.25555	100.0
608.25732	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2554
Annotation	Kadangustin D
Peak:m/z	Relative Intensity
52.51100	0.6
63.48626	0.6
67.05514	1.2
68.63383	0.6
69.03439	1.1
70.06593	0.7
71.48355	0.8
72.03001	0.6
79.05512	1.2
81.03416	0.8
81.07077	2.3
88.33424	0.6
91.05471	0.9
93.07052	1.0
118.06552	1.3
119.08642	0.7
120.08129	1.2
180.06633	1.0
190.79378	0.7
197.10690	1.0
204.06529	1.0
207.09224	1.4
209.10796	2.0
210.11581	1.7
211.08630	1.1
211.12418	0.7
221.10814	1.8
223.08798	0.8
223.12334	3.2
224.13176	1.2
225.10301	1.4
225.13849	3.7
226.14644	1.6
234.11700	0.6
235.08710	1.3
235.12369	1.5
236.09431	0.8
237.10330	2.4
237.13805	4.6
238.14745	1.0
239.15453	1.2
247.12257	1.0
249.10248	3.8
249.13782	1.1
250.10968	0.8
251.08247	0.7
251.11835	2.0
263.11856	1.2
265.09799	0.7
265.13495	1.0
269.12909	1.6
273.13681	0.7
275.15616	1.8
277.09802	1.4
282.13474	0.8
283.14670	0.7
286.74826	0.6
293.12857	0.9
296.12085	0.9
296.66879	0.6
312.15079	0.8
314.07727	0.7
314.12933	0.9
323.10291	0.8
324.11261	1.3
326.12802	0.9
336.11200	0.8
338.13000	3.0
340.14661	0.8
352.14813	0.9
353.11530	0.7
353.15308	1.4
354.16129	0.9
356.17569	0.8
359.22345	0.8
367.16873	0.7
368.17700	1.4
382.15628	1.0
394.15436	1.1
396.13385	1.2
399.17163	0.8
401.18253	0.8
402.14761	0.9
403.19659	1.0
405.20508	0.8
411.15500	0.7
412.17105	1.1
415.15561	1.6
416.16104	1.4
417.16370	3.2
417.21844	0.9
424.13071	1.3
426.17926	1.5
429.17346	2.3
430.18054	1.3
431.18518	5.5
432.20044	0.8
440.16266	0.9
443.18851	2.6
445.20212	3.0
446.21063	4.3
447.21664	4.0
454.17871	2.0
457.20676	0.9
458.22049	0.9
459.17249	1.4
459.22339	2.0
460.22723	1.0
472.18533	2.0
473.23907	0.8
474.20432	3.3
475.20544	4.2
487.21661	3.6
489.22922	1.1
501.22919	2.1
502.20132	1.1
505.22833	1.4
515.21051	2.1
517.19220	0.8
519.23810	2.5
529.22382	1.1
531.23840	2.0
533.21704	0.7
534.22797	2.0
547.23425	34.6
548.23999	1.2
557.21606	0.8
575.22919	12.3
589.24396	1.8
607.25543	100.0
608.25873	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	607.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01981	0.4
51.24370	0.3
57.78862	0.3
64.06422	0.4
70.65512	0.8
74.36572	0.3
81.06998	0.7
81.46262	0.3
89.45791	0.4
91.05476	0.4
92.35100	0.3
105.06970	0.4
167.07266	0.3
201.45731	0.3
220.09929	0.4
221.10709	0.6
223.12265	0.5
233.10545	0.4
254.24658	0.3
286.13281	0.5
313.50464	0.3
324.15067	0.4
354.16092	0.4
373.14276	0.7
374.15222	1.0
375.16019	1.3
376.17209	0.3
385.16608	0.5
386.16702	0.5
387.16205	1.1
388.16727	1.5
389.17636	4.0
390.18445	1.7
391.19022	1.1
399.16162	0.3
401.13281	0.6
401.17850	1.0
402.14215	0.7
402.18579	1.4
403.19473	7.1
404.20117	2.9
405.20886	3.4
413.17511	0.7
414.15680	0.6
415.15176	0.9
415.20001	0.4
416.15686	2.1
416.20868	0.6
417.16083	4.7
417.20978	3.5
418.17325	1.0
418.22379	1.8
419.22540	8.9
420.22961	0.6
429.16562	0.6
429.21271	0.5
430.17337	1.7
431.18307	10.8
432.19217	4.3
433.20248	3.6
434.20447	0.5
442.17685	0.3
443.18604	0.5
444.19354	0.5
445.20221	9.1
446.21036	9.3
447.21799	12.9
448.22931	0.6
457.20712	0.4
458.21121	0.6
459.17972	2.2
459.22385	1.6
460.18164	0.9
460.22968	1.0
461.19312	2.0
462.24341	0.5
463.25668	1.7
473.19342	1.5
473.24533	0.6
474.20462	13.1
475.21231	12.6
476.21655	1.3
477.23004	0.7
478.23398	0.9
486.20645	0.4
487.21304	2.4
488.21967	1.4
490.23529	1.4
491.20612	1.8
491.25302	0.9
501.22943	2.0
501.29437	0.3
502.22900	0.6
504.21790	0.5
505.22299	0.7
506.23187	0.9
518.22943	0.6
519.24084	12.1
520.24799	0.6
529.22101	0.4
532.21008	0.9
534.22034	0.4
547.23419	71.0
548.23590	4.2
561.25024	1.1
579.26239	5.0
589.24341	1.5
607.25519	100.0
608.25763	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2551
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
51.02005	0.3
53.54807	0.3
56.88504	0.3
61.62445	0.3
69.84179	1.5
98.21426	0.5
103.31326	0.3
105.13237	0.3
182.09810	0.3
209.10826	0.4
221.10628	0.3
277.38715	0.3
277.42331	0.3
279.80881	0.3
294.03189	0.3
373.14493	0.5
374.15283	0.5
375.16171	1.2
387.16275	0.4
388.17096	0.9
389.17676	2.7
390.18539	1.3
391.19156	0.7
397.57898	0.3
401.18011	0.4
402.14124	0.5
402.18689	1.1
403.14905	0.5
403.19489	4.2
404.19986	1.3
405.20917	3.2
416.16302	0.9
417.16202	3.7
417.21243	1.9
418.17273	0.7
418.22159	0.6
419.22433	5.2
420.23041	0.9
429.16980	0.5
430.17883	1.0
431.18338	6.5
432.19254	2.9
433.20084	3.7
434.20535	0.4
445.20218	4.9
446.20987	8.3
447.21860	7.2
448.22885	0.7
459.17349	0.9
459.22083	1.3
460.18301	0.6
461.19290	1.5
462.24344	0.6
463.20358	0.4
463.25757	0.4
473.19226	0.9
473.24460	0.4
474.20438	5.6
475.20905	4.4
477.23410	0.6
478.23615	0.6
487.21173	1.0
488.21973	0.6
491.20016	2.8
501.23068	1.0
505.22214	0.8
519.24170	14.0
529.22498	0.5
532.20929	0.5
547.23492	12.0
548.23981	1.5
575.22803	0.4
579.25964	5.0
589.24799	0.5
607.25543	100.0
608.25970	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	607.2551
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
51.91665	0.5
67.88890	0.4
71.49428	0.6
79.05546	0.5
81.07056	0.5
95.08576	0.6
109.10165	0.5
137.12825	0.6
149.58604	0.5
155.08543	0.5
178.56714	0.5
197.76079	0.5
291.67545	0.5
348.09677	0.5
375.16226	0.8
387.15839	1.1
388.17999	0.6
389.17844	2.1
390.18756	0.7
401.17868	2.0
402.18506	2.4
403.19403	2.6
404.20114	3.0
405.21075	0.6
413.17831	0.8
414.18713	1.3
415.19345	1.7
416.20059	2.0
417.21109	4.4
418.21939	1.1
419.22601	3.2
429.20673	1.7
430.22006	0.9
431.22745	7.3
432.23877	0.7
433.23981	2.9
443.22830	1.0
444.19553	1.5
445.20175	2.4
445.24921	1.0
446.25461	2.8
447.21243	3.2
451.21683	0.9
457.23999	1.1
458.25186	1.2
459.22040	3.1
460.22620	2.1
461.23404	1.0
472.19354	1.0
473.18988	0.6
473.24176	1.3
474.24689	2.2
475.21143	18.9
476.22290	0.5
477.22672	1.0
478.23788	1.9
486.20523	0.8
487.21396	9.2
488.22504	0.8
489.22263	0.7
491.21704	0.8
491.24344	0.9
492.25986	0.9
501.22940	7.2
502.23749	7.1
503.24512	2.2
506.23196	1.6
519.23883	2.7
524.24036	1.1
531.23621	0.9
534.22864	1.3
539.20813	0.7
547.23407	27.6
548.24249	5.5
549.27216	0.9
551.26770	0.8
579.25818	0.9
589.24408	0.5
607.25543	100.0
608.26239	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	607.2552
Annotation	Kadangustin D
Peak:m/z	Relative Intensity
50.17308	0.5
55.05510	0.7
67.05507	1.7
69.07077	0.9
70.74413	1.3
78.53325	0.6
79.05531	0.7
81.07068	1.6
91.05499	1.7
93.07025	0.9
95.08584	1.6
100.37218	0.6
105.07044	1.7
107.08641	0.9
119.08614	1.5
119.67288	0.5
131.08607	1.2
133.10109	1.3
184.70796	0.6
186.41426	0.6
262.41101	0.6
263.16281	0.7
275.20068	1.4
314.12515	0.6
319.26776	0.6
327.23535	0.7
366.16281	0.7
374.15494	0.8
375.16299	1.1
387.16324	1.3
388.16980	1.2
389.17780	3.6
390.18689	2.2
391.19144	1.3
402.18903	1.5
403.19431	5.8
404.20297	2.8
405.20755	2.3
416.15823	1.1
417.17114	4.1
417.21069	3.7
418.17316	1.1
418.22308	1.2
419.22473	7.5
420.23380	0.8
430.17700	1.6
431.18243	8.0
432.19531	4.0
433.20129	3.3
439.40118	0.6
445.20212	6.8
446.21133	6.5
447.21643	11.5
459.18018	1.9
459.22696	1.1
460.23602	0.9
461.19940	2.0
463.25195	1.1
473.19342	1.4
474.20480	11.1
475.21173	12.9
477.23425	1.3
487.21552	2.7
490.23892	1.2
491.21027	2.2
501.22849	1.8
504.21402	0.7
505.22534	1.3
508.75504	0.6
519.24103	11.4
535.23016	0.7
547.23462	66.1
548.24023	1.8
561.25146	1.2
579.25946	4.6
582.83972	0.7
589.24408	1.4
607.25555	100.0
608.26062	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32785	0.4
54.42376	0.5
58.79557	0.4
67.05498	2.0
69.07061	0.6
69.31576	3.9
79.05506	1.3
81.07065	1.3
88.15452	0.5
91.05453	0.8
93.07063	1.1
95.08613	1.3
98.20748	1.1
100.77132	0.4
105.07034	0.7
107.08613	0.7
118.93114	0.4
119.08595	0.9
131.08591	0.6
133.10112	0.5
138.53577	0.4
179.51399	0.5
202.69156	0.5
236.12956	0.5
255.65645	0.5
273.10599	1.2
383.98398	0.5
402.18658	0.6
403.19751	0.5
404.20172	0.5
416.16010	0.7
417.21310	0.6
430.18372	0.6
431.18649	1.3
437.43335	0.5
441.17062	1.2
445.20480	1.5
446.20932	0.9
447.21552	0.7
455.18848	0.8
456.19632	0.6
457.16675	0.8
458.17001	0.9
459.18256	2.0
460.18668	2.8
473.19531	3.2
474.20435	5.1
475.21307	21.8
476.22147	1.5
487.21240	1.6
488.21991	5.1
489.23154	3.4
491.20163	0.5
501.22675	1.5
502.19342	2.3
503.24435	19.6
504.25388	0.8
505.22198	0.7
515.20697	0.7
516.21716	2.3
519.19818	2.7
529.22296	1.2
531.23859	10.0
533.21991	2.6
534.22485	4.0
547.23279	6.7
548.24158	14.5
549.24988	0.6
557.20697	0.5
575.22870	10.2
579.25427	0.7
607.25562	100.0
607.35638	5.3
608.25964	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	606.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36504	4.0
53.03951	8.9
55.01851	4.4
55.05514	34.3
57.07066	7.4
60.04514	7.8
67.05511	35.9
69.03439	20.9
69.07069	36.6
69.44907	31.8
70.02935	4.0
70.06609	20.0
71.05000	20.0
71.85633	4.0
72.08142	7.2
79.05503	24.5
81.03427	9.0
81.05387	4.1
81.07058	100.0
81.07530	5.3
83.04977	14.1
83.08628	14.9
84.08125	7.9
85.02904	18.3
85.06555	15.4
86.09702	11.0
87.00856	10.2
88.07629	5.8
91.05482	28.1
93.07052	99.9
93.07633	5.4
95.04987	18.2
95.08051	6.5
95.08613	58.5
97.02895	9.1
97.06537	12.5
97.10177	10.1
98.06055	4.7
99.04443	4.7
100.11271	16.7
105.01830	5.3
105.07040	51.5
107.08596	61.9
109.02877	6.2
109.06528	12.0
109.10167	53.9
111.08089	12.3
117.07032	7.0
119.08566	42.9
120.08081	4.9
121.06565	5.4
121.10155	66.4
123.11701	31.9
125.09633	30.7
127.03959	9.1
127.11199	14.7
131.08551	12.7
133.10132	36.4
135.11729	17.6
137.09621	11.0
137.13310	8.2
139.11180	24.8
142.07788	5.0
143.08589	4.4
143.10672	30.8
144.09325	4.3
145.04999	5.9
145.10124	36.0
147.11702	30.7
149.13278	23.4
151.11211	4.8
157.10138	15.0
159.11729	26.5
161.13235	14.3
163.11148	7.0
163.14857	5.4
168.13895	20.3
171.11685	11.7
173.13214	15.8
175.14812	8.9
177.16455	5.9
182.15421	10.0
185.13234	6.7
187.14926	7.5
189.16417	13.4
199.14815	7.5
201.16399	30.2
205.15945	6.5
207.17593	4.5
210.15016	8.4
213.16400	14.9
219.17493	4.7
223.16936	11.1
231.17520	6.2
262.07159	4.6
269.22559	23.9
287.23737	25.4
295.20270	8.2
300.12323	8.5
304.23557	5.3
305.24667	35.4
338.11136	4.9
588.44513	4.9
606.36755	5.7
606.45605	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	605.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.3
55.01867	9.5
55.05513	54.9
55.80434	3.5
57.03426	7.5
57.07063	9.5
65.03922	5.5
67.05508	28.8
69.03439	34.0
69.06784	3.7
69.07074	38.5
70.06577	5.8
70.89006	6.6
71.04974	10.4
72.08150	5.5
76.63678	3.6
79.05501	25.1
81.03416	16.3
81.07064	98.5
83.04990	9.8
83.08631	18.4
85.02921	24.6
85.06528	15.6
86.09705	5.7
87.00816	11.8
87.84061	3.9
91.05486	23.3
93.07046	60.6
94.07407	4.0
95.04977	22.5
95.08611	73.3
97.02879	8.2
97.06525	13.0
97.10181	100.0
99.04460	9.6
101.06039	3.9
105.01852	6.4
105.07029	32.7
107.08612	45.9
109.02899	18.5
109.06534	10.5
109.10161	58.6
111.04393	4.0
111.08050	11.4
111.11737	6.8
117.06988	5.7
119.08594	36.1
121.06508	5.0
121.10150	36.0
123.08120	5.0
123.11710	42.1
125.09647	48.1
127.03910	16.8
127.11201	4.9
131.08549	4.3
133.10147	21.0
135.08058	6.8
135.11732	24.2
136.07584	10.8
137.09636	9.1
139.07484	4.3
139.11151	10.6
141.09102	5.5
143.10696	32.9
145.10135	17.4
147.11667	24.5
149.09666	4.7
149.13264	13.0
151.11192	7.5
151.14886	5.6
153.12718	8.3
157.10034	5.5
157.12303	4.4
159.11662	18.1
161.09573	5.2
161.13213	13.4
163.11154	10.0
164.07169	5.0
165.12782	10.0
167.10616	4.5
169.12183	4.8
171.10225	9.8
173.09563	4.4
173.13271	11.3
175.14790	8.1
177.12724	6.4
177.16376	4.5
187.14832	7.9
189.09122	13.1
189.11201	10.7
189.16414	4.7
195.13820	4.0
199.11058	3.7
199.14804	5.0
203.14310	4.3
221.15309	4.5
231.05006	4.2
275.23599	6.7
285.22144	5.7
291.23187	5.9
293.24924	4.2
303.23209	47.9
309.21063	4.0
309.24216	14.8
309.51807	4.4
321.24261	65.6
339.25186	26.6
357.12943	5.3
428.02649	5.2
551.29114	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	605.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91453	0.5
57.86509	0.6
64.57001	0.6
65.88280	0.6
67.05502	1.6
69.03420	1.4
69.06804	0.6
69.07076	5.6
79.05483	2.1
80.99702	0.7
81.03415	1.7
81.07059	6.1
81.27896	0.7
83.04985	0.8
85.02913	1.7
85.06532	0.6
86.09731	0.7
87.00801	0.9
91.05473	2.5
93.07053	1.3
95.04962	0.6
95.08600	1.6
96.17271	0.6
97.02890	1.7
99.04435	0.7
105.01884	0.7
105.07044	1.2
107.08527	1.2
109.02861	0.8
110.07218	0.6
117.07067	0.6
119.08578	1.5
121.10133	1.0
127.03938	1.5
128.06187	0.6
129.06955	0.6
131.04924	3.9
145.10156	0.6
147.04416	10.2
159.04442	4.9
171.04282	0.7
175.03917	1.4
178.38531	0.7
203.03407	100.0
204.03778	1.1
208.47551	0.7
215.03430	1.2
216.42993	0.6
232.46141	0.6
245.04353	0.8
357.16898	1.4
443.27878	1.7
476.17291	0.6
529.08368	0.6
531.03632	0.6
565.52032	0.7
573.62170	0.8
575.24994	0.8
605.22150	1.8
605.32263	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.276
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07059	0.7
66.92322	0.3
67.05513	0.8
67.32178	0.4
67.89185	0.3
70.72747	1.0
81.07062	0.9
83.08629	0.3
93.07070	0.4
95.08610	1.2
98.89166	0.3
113.91162	0.3
130.50417	0.3
172.46446	0.3
338.17090	0.3
361.81122	0.3
399.16391	0.4
400.17471	0.6
401.17633	1.2
402.19064	0.5
413.17780	1.0
414.18594	1.9
415.19180	6.0
416.19946	3.2
417.20868	0.8
427.19550	0.9
428.20007	2.1
429.20898	10.4
429.26489	0.7
430.21463	4.4
431.22601	1.7
433.23944	0.6
442.21906	0.8
443.22833	4.2
444.23569	8.0
445.24411	5.4
446.24725	0.4
448.26224	0.7
455.18655	0.8
456.19275	1.0
457.19995	1.6
457.24567	1.3
458.25415	3.1
459.21338	2.8
459.25797	3.2
460.22574	0.4
470.21094	0.4
471.21722	1.9
472.22656	4.5
473.23578	5.8
474.24423	3.0
476.21719	0.7
485.23483	4.4
486.24573	1.8
487.24948	24.2
488.25391	1.4
489.22968	1.0
490.23721	0.5
500.21655	0.5
501.22876	0.6
503.24731	2.7
504.25491	0.5
513.23138	0.9
517.26398	3.5
518.23376	0.4
530.23358	0.4
531.23883	0.7
540.99274	0.4
545.25494	20.6
546.26215	3.9
573.24939	1.5
605.27594	100.0
606.27820	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	604.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.4
55.05514	7.8
56.54212	2.2
57.07077	6.4
67.05512	11.6
69.03425	3.2
69.07075	28.9
70.06602	2.6
70.99158	5.4
71.05002	2.8
79.05484	8.1
81.07063	53.1
83.04973	2.7
83.08617	6.5
85.02850	3.1
85.06559	5.8
86.99886	2.8
89.18478	2.3
91.05487	8.6
92.64465	2.2
93.07047	23.8
95.08614	32.0
97.06518	2.7
97.10188	5.5
105.07027	28.3
107.08601	27.7
109.10172	28.6
119.08615	21.2
121.10170	26.5
123.11725	15.1
127.03916	4.7
131.08589	5.5
133.10144	23.1
135.11719	16.8
137.09622	3.9
137.13235	3.2
145.10126	10.1
147.08084	5.4
147.11671	19.5
149.09691	3.2
149.13284	5.3
157.10114	2.7
159.11722	10.7
161.09631	14.2
161.13281	6.7
163.11221	5.5
165.09105	4.8
167.10690	5.7
173.09598	2.8
173.13292	7.7
175.11200	4.8
175.14850	12.0
177.16383	7.3
179.10698	4.7
187.14888	7.5
191.10690	3.4
193.15916	3.6
201.16415	8.1
203.17998	7.1
217.15889	3.4
229.15906	4.3
235.17000	3.6
243.21030	4.2
243.86836	2.6
247.17009	6.5
257.22717	5.7
267.21140	3.2
285.22101	13.4
292.32684	2.6
299.05423	3.3
300.05777	3.5
303.23212	100.0
321.24304	12.8
417.36139	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	604.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57040	0.5
60.04528	33.7
60.90434	0.6
63.57793	0.4
70.02965	3.6
70.06599	6.9
70.66066	1.5
71.03737	0.9
71.80137	0.6
72.08141	0.8
79.05471	0.8
84.08139	0.6
85.04033	7.3
86.02430	1.2
86.06073	1.3
86.09686	1.7
87.05594	9.1
88.03992	2.1
89.04771	0.9
91.05479	13.8
95.04984	0.5
100.86877	0.5
101.38577	0.5
106.05050	5.6
106.06551	1.4
107.04958	17.4
115.05051	15.5
116.07092	0.8
118.06587	0.8
119.04946	13.2
121.02876	1.8
121.06496	4.1
122.06088	1.0
129.10254	1.0
131.04921	1.9
132.04425	3.1
132.08138	0.6
133.06497	1.8
134.06027	18.5
134.90686	0.6
135.04417	1.2
135.06798	1.7
136.07584	100.0
140.66470	0.6
145.06111	1.2
146.05989	1.3
148.07584	5.2
158.06050	2.0
160.03938	1.5
160.07576	8.0
161.06010	1.4
162.05502	6.0
164.07068	1.7
175.06393	0.8
175.08733	1.2
176.07076	8.4
178.08640	5.1
186.05515	1.3
188.07115	2.8
193.09714	0.6
203.08296	0.8
204.06575	10.0
205.09749	1.0
213.12338	2.5
221.09210	3.0
222.07597	1.4
223.10783	34.8
224.09012	0.6
231.07739	1.7
232.06064	8.2
233.09259	0.7
240.10193	1.4
249.08727	57.4
250.09068	0.8
251.10291	8.0
257.67575	0.5
267.08786	0.5
269.11343	11.5
275.23593	0.6
292.40259	0.6
318.10995	4.0
327.13312	1.3
336.11893	13.4
338.13614	1.9
355.12891	0.8
356.14459	1.4
364.11444	1.2
367.12994	3.4
460.17252	4.5
499.18698	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	7.2
57.99842	3.5
67.05510	9.9
69.03427	8.4
69.07079	7.0
71.48429	4.6
79.05485	6.8
81.07073	12.5
83.04983	4.1
83.08573	3.6
85.02927	8.5
85.06538	3.7
91.05476	12.1
93.07052	16.4
95.04984	4.9
95.08627	7.0
97.02892	8.2
97.06551	3.5
105.07050	12.7
107.08626	13.1
109.02944	5.0
109.10174	7.4
119.08611	8.1
120.84490	3.6
121.10123	7.1
122.09748	5.5
129.06982	4.1
131.04953	9.7
131.08617	7.4
133.10153	7.0
135.11736	10.3
145.10110	7.0
147.04378	22.3
147.11682	9.0
155.08517	3.8
157.10092	7.4
159.04427	5.4
159.11711	5.3
161.13278	4.4
161.59613	3.5
187.03940	5.7
187.11259	5.5
203.03410	100.0
203.14421	5.4
215.03418	43.8
243.06650	4.2
271.09589	4.4
299.05536	69.0
324.86191	3.9
355.11694	16.2
355.15353	20.1
425.35275	3.8
448.19632	3.8
456.26135	8.9
547.10834	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	603.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	5.0
59.04988	2.5
64.49821	2.1
67.05501	9.6
69.03430	6.2
69.07072	11.4
70.06589	4.6
71.04987	11.3
71.48257	2.7
72.08134	2.3
73.06558	3.4
79.05492	9.5
81.03419	3.4
81.06598	2.9
81.07054	33.2
83.04994	4.3
83.08621	2.6
84.08164	2.3
85.02897	6.4
85.06543	3.2
86.09689	3.1
87.00858	2.2
91.05486	9.6
93.07050	26.5
95.04990	3.4
95.08607	9.3
97.02927	2.2
97.06510	2.8
99.04537	2.5
105.07029	6.3
107.08586	22.7
109.02849	3.9
109.10158	7.7
111.74370	2.0
119.08604	6.3
120.08164	3.9
121.10143	2.2
123.08076	2.0
123.11719	6.3
124.12045	2.9
125.09649	4.9
127.03918	6.3
131.04912	10.4
133.10135	2.3
135.11687	28.5
135.12608	3.2
143.08527	2.2
144.08168	2.2
145.10136	3.3
147.04419	19.3
147.11682	1.9
148.07492	2.9
152.86357	1.9
153.11517	4.9
153.12750	84.8
159.04414	11.7
159.56618	1.9
161.13181	2.3
187.03954	2.3
196.08215	2.4
203.03415	100.0
215.03412	28.7
231.05060	3.1
238.89128	2.0
241.13284	2.2
255.14999	3.0
299.14005	2.2
301.21585	2.9
315.13373	7.3
319.22754	4.6
320.23090	2.2
337.14346	2.4
355.15411	7.3
414.28027	2.2
557.27936	3.8
567.26031	5.2
585.25415	3.0
603.25934	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
55.01882	0.7
55.05500	1.7
56.71954	0.4
59.15088	0.4
65.03929	0.8
67.05508	2.5
69.03427	3.3
69.07065	1.2
70.06591	4.6
71.04993	0.7
72.08158	1.3
72.30664	0.5
79.05483	1.3
81.03422	2.2
81.07066	3.4
82.24876	0.5
83.04987	0.8
83.08636	0.5
84.08144	1.5
85.02910	3.2
85.06546	0.6
86.09707	2.6
87.00831	1.4
91.05489	2.4
93.07055	2.8
95.04962	1.6
95.08588	2.7
97.02891	2.1
97.06503	0.9
97.10155	1.2
99.04456	1.0
105.01830	0.6
105.07043	2.8
107.04975	1.1
107.08614	2.8
109.02864	1.2
109.06509	1.1
109.10141	1.1
111.08073	1.0
111.37495	0.5
119.04920	0.6
119.08594	2.5
120.08076	0.9
121.02862	2.0
121.06462	0.6
121.10136	2.1
123.08065	0.4
123.11715	0.8
125.05947	0.6
125.09641	2.1
127.03928	3.0
129.06972	0.5
131.04839	0.5
131.08589	0.8
133.10121	1.9
135.04446	2.2
135.08054	1.1
135.11699	0.8
136.07510	0.7
137.09616	0.9
143.08514	0.9
145.02873	0.6
145.04948	0.6
145.10143	1.1
147.08058	0.5
147.11668	1.1
149.09660	0.6
151.07655	0.5
151.11192	0.7
153.01852	1.3
153.09103	0.5
157.10159	0.8
159.02898	0.5
159.09268	0.9
159.11732	1.3
161.09651	1.0
161.13237	0.6
163.03984	0.8
163.11174	0.9
165.01868	0.7
167.10733	0.5
173.06032	0.5
175.07558	0.7
175.11249	0.8
177.01820	0.8
183.14964	0.7
187.03853	0.8
197.05977	0.5
200.04581	0.7
201.05542	0.6
219.06450	0.6
229.05135	0.5
239.07021	1.3
245.09616	0.9
248.08514	0.5
255.06471	1.5
255.11343	0.5
258.16055	0.5
267.06534	4.3
269.12900	0.6
271.06003	2.1
279.06445	0.8
281.08109	1.6
283.06000	17.1
287.13763	0.8
291.10065	0.9
295.06091	14.7
295.09656	2.4
297.07483	0.8
301.21527	1.0
307.06143	2.1
308.06842	2.8
309.07550	2.6
309.11203	1.2
315.13425	1.0
319.09686	6.0
319.22717	1.4
321.07538	3.5
322.08395	3.8
335.09470	0.6
337.10703	100.0
337.23856	1.4
338.11017	1.7
354.98883	1.3
355.11771	10.3
453.31491	0.4
559.30457	0.6
585.23444	4.4
603.29895	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	603.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
55.01638	0.3
55.01876	4.7
55.05498	0.8
57.03461	0.5
61.28902	0.2
64.07101	0.2
65.03939	0.4
66.69857	0.2
67.05495	0.9
68.99798	0.9
69.03439	2.5
69.07065	1.2
70.06596	1.6
71.04977	0.8
79.01843	0.7
79.05475	0.9
81.03423	2.4
81.07066	1.7
83.04986	0.5
84.08166	0.4
85.02486	0.3
85.02913	2.6
85.06518	0.6
86.09705	0.5
87.00822	1.1
91.05488	1.4
93.07051	1.6
95.04958	0.6
95.08601	1.3
97.02871	1.0
97.06535	0.5
97.10165	0.6
99.04420	0.8
99.08081	0.3
105.01901	0.7
105.07046	1.5
107.04952	0.8
107.08605	2.0
109.02888	1.6
109.06486	0.9
109.10154	0.7
111.08114	0.4
117.06973	0.5
119.04941	0.4
119.08577	1.0
120.08112	0.7
121.02855	0.9
121.06494	0.7
121.10170	1.4
123.00809	1.4
123.04420	0.5
123.08043	0.3
125.09626	1.0
127.03917	2.6
129.06900	0.4
131.04929	0.4
131.08521	0.5
133.02852	0.5
133.10124	1.0
135.04430	0.9
135.08102	0.6
135.11679	0.6
136.07603	0.3
137.02275	0.5
137.05975	0.4
141.01794	0.8
141.06946	0.3
143.08530	0.7
143.10599	0.3
145.02922	0.4
145.04955	0.8
145.06490	1.0
145.10069	0.7
146.69820	0.3
147.04407	0.4
147.11693	0.4
149.02324	0.8
149.09599	0.7
151.07527	0.4
153.01834	1.5
153.12700	0.3
155.03337	0.4
155.08485	0.3
157.10138	0.5
159.02895	0.6
159.04387	0.4
159.11688	0.5
161.02345	4.6
163.11295	0.4
165.01848	11.1
165.06958	0.3
171.04347	0.3
173.02332	0.8
173.06036	0.5
177.01845	1.2
179.03369	0.2
183.02950	1.7
183.04317	0.4
183.08069	0.5
185.05890	0.3
185.09723	0.3
189.05412	0.4
189.09161	0.4
191.10715	0.5
197.05992	0.7
199.07553	0.3
201.05490	2.7
211.07607	0.5
213.05453	0.8
215.03320	0.5
217.05066	0.3
221.06134	0.3
225.05560	0.7
227.03429	5.8
229.04976	6.9
231.04918	0.3
231.17538	0.3
239.07143	1.4
243.06529	0.5
253.04999	0.9
255.06525	0.4
257.04468	0.9
267.06543	5.8
267.10962	0.4
269.12796	0.5
271.06110	1.3
275.05511	0.3
277.04971	0.5
281.04443	3.1
281.07535	0.5
283.06021	9.4
283.09082	0.6
285.11606	0.3
287.05502	0.9
287.13870	0.4
294.05246	0.7
295.06030	16.9
297.07584	0.3
299.05508	74.0
300.05942	1.3
301.21756	0.4
307.05978	0.4
308.06824	0.9
309.07941	0.5
309.11072	2.0
309.96802	0.3
315.13260	0.3
319.09720	1.1
319.22549	0.7
321.07654	0.6
322.08307	2.4
337.10709	28.1
337.23849	0.7
338.11111	0.6
355.11768	100.0
356.11966	1.6
513.34808	0.3
517.16870	0.8
518.31982	0.3
559.30603	0.4
582.75208	0.3
585.23749	0.4
603.16876	1.8
603.30170	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.2
55.01866	2.2
55.05517	7.0
57.03428	1.5
57.07061	0.9
59.05001	14.8
61.02947	1.8
65.87164	0.7
67.05506	7.5
69.03436	9.3
69.07072	84.9
69.45351	5.6
70.06590	3.3
71.04974	1.3
72.08132	1.0
72.73249	1.1
73.02936	1.6
77.06038	7.4
79.05505	1.2
81.03425	9.7
81.07060	5.0
83.08611	2.7
84.08158	1.9
85.02910	19.1
85.06515	0.9
86.09710	1.9
87.00839	8.9
87.04475	39.0
89.06033	20.6
91.05464	1.2
93.07040	1.0
97.02888	6.5
99.04453	2.5
100.18933	1.0
103.03944	60.2
103.07578	8.1
105.01859	4.7
105.07043	2.6
107.07064	6.4
107.08598	0.8
109.02897	7.3
109.10145	7.5
111.11729	17.7
115.87411	1.2
117.01866	1.4
121.04956	2.9
123.11690	3.2
125.09589	1.1
127.03943	9.8
127.11188	2.1
129.12761	4.6
131.07051	2.7
133.08615	4.6
133.10144	0.9
135.11682	1.0
145.04976	2.9
147.06544	3.6
151.09671	2.6
159.02879	3.7
161.09561	1.2
163.09662	26.0
171.13857	1.2
173.15355	1.0
191.09154	13.6
205.18024	1.7
209.10211	38.5
217.17984	8.7
219.74953	0.9
226.38542	0.9
231.04993	1.6
231.15904	3.0
235.19089	4.3
269.05716	0.9
291.21634	4.8
319.21115	8.4
337.22208	100.0
338.22672	1.5
426.11511	1.0
438.83618	0.9
514.37244	1.3
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
52.09275	3.5
53.03936	9.8
55.05518	43.1
57.07079	10.8
65.03937	7.8
67.05508	32.8
69.03421	11.6
69.07087	22.3
71.48888	3.3
74.01022	3.9
74.13893	4.3
79.05518	31.7
81.07060	49.5
83.05015	18.8
83.05430	4.5
83.08616	35.3
85.06551	9.0
86.09693	6.4
87.04487	6.4
91.05485	49.5
93.07053	75.5
95.04986	21.9
95.08611	41.0
97.06529	18.6
97.10162	3.9
99.04465	4.9
103.05475	6.5
103.69575	4.1
104.10721	7.1
105.07043	100.0
107.04990	4.9
107.08601	69.6
109.06535	23.7
109.10159	33.2
111.08080	5.7
113.09644	6.7
115.05420	5.5
117.07036	19.0
119.08586	82.7
121.06512	11.6
121.10149	76.2
123.08073	11.0
123.11701	9.9
125.09636	19.1
128.06190	11.6
129.06967	10.6
130.07787	4.7
130.78932	4.1
131.08594	36.9
133.10136	62.5
135.08057	14.5
135.11691	15.0
137.09624	7.9
139.11156	11.2
142.07828	23.4
143.08537	36.1
144.09309	4.0
145.10133	68.5
147.08031	7.0
147.11710	27.0
149.09668	19.2
149.13203	4.1
149.62955	4.3
155.08521	15.4
155.10666	7.6
156.09354	15.9
157.10139	48.7
158.10828	5.9
159.08043	9.6
159.11714	32.3
161.09596	12.8
161.13254	8.9
163.11174	10.3
165.07016	5.5
165.09207	7.6
167.08553	9.4
167.10703	48.3
168.09309	6.7
169.10081	23.5
170.10913	9.7
171.11685	38.0
173.13246	23.8
175.11215	6.4
175.14850	13.0
179.08537	14.4
179.14384	6.4
180.09233	6.0
181.10086	18.7
181.12227	15.9
182.10832	7.6
183.11700	21.9
185.09607	4.5
185.13239	16.6
187.14886	8.4
189.12766	7.3
191.14291	7.5
193.10158	14.3
194.10916	8.5
194.87576	4.1
195.11697	23.7
195.13283	4.0
196.12357	10.5
197.13297	27.5
199.11182	4.7
199.14868	22.1
201.12714	4.1
201.16315	5.5
203.14198	5.7
207.11751	11.2
208.12408	8.4
209.13258	25.2
211.14809	14.4
212.15532	5.2
213.16425	4.7
215.14447	8.3
217.15874	4.3
219.11624	6.4
220.12566	5.1
221.13255	17.9
221.15385	23.6
223.14893	9.6
225.14835	11.6
225.16721	5.3
231.11609	5.9
231.17410	5.9
233.13229	8.0
233.15358	25.7
235.14886	9.5
235.16951	6.2
237.16385	6.8
239.18004	7.3
247.14737	8.0
249.16327	5.5
251.17914	4.9
259.14874	5.2
261.16287	5.1
263.18048	7.3
265.19528	8.3
269.19128	6.2
273.16278	6.2
283.20453	9.2
289.19553	4.4
343.24399	5.4
347.23746	4.9
349.25311	5.6
361.25128	6.4
375.24991	8.3
415.29947	7.8
455.84064	4.0
563.29150	4.4
565.40826	6.7
583.41071	15.5
598.31824	4.5
601.42676	48.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.2
55.01863	3.5
55.05518	18.9
57.07075	16.1
59.04999	5.3
59.05440	2.0
65.03959	2.5
67.05505	22.7
69.03426	10.7
69.07069	14.8
69.15895	8.5
69.16315	14.1
71.08599	3.9
79.05494	21.5
81.07059	30.8
83.04985	7.2
83.08630	13.8
85.06550	6.4
89.06013	4.7
91.05486	34.1
92.05799	5.2
93.07051	53.5
94.07382	4.6
95.04977	11.6
95.08610	40.0
97.06529	9.2
97.10191	2.5
103.05486	3.2
105.07040	59.0
106.07329	4.8
107.08611	31.4
108.08897	2.3
109.06519	13.5
109.10149	17.8
109.78366	2.2
110.73017	2.3
111.08082	3.7
115.05443	2.8
117.07019	16.6
119.08594	69.7
120.08911	8.1
121.06537	6.0
121.10139	30.5
122.10445	3.6
123.08078	24.2
123.11753	3.0
125.06009	8.3
125.09657	5.4
128.06203	6.1
129.07060	13.5
130.07880	3.4
131.08591	31.9
132.08945	3.5
133.06490	5.9
133.10130	28.5
135.08075	17.4
135.11696	9.7
136.08466	3.0
136.12047	2.3
137.09624	17.9
141.07045	3.6
142.07753	11.8
143.08585	27.1
144.09229	5.2
145.09064	3.4
145.10144	43.3
146.10497	7.7
147.08052	27.1
147.11693	10.3
148.08446	3.9
149.09645	13.4
150.09950	2.6
151.07559	13.2
155.08560	9.5
155.10629	4.2
156.09293	8.5
157.10143	28.4
158.10561	10.2
159.07980	5.8
159.11716	28.8
160.12129	4.2
161.09648	5.6
161.13258	10.5
162.01872	2.9
163.11209	11.7
164.11612	4.1
164.49744	2.4
165.07104	2.6
165.09122	49.8
166.07948	2.3
166.09448	5.4
167.08658	2.8
168.09192	2.6
169.10138	13.3
170.10774	6.0
171.11703	20.7
172.12143	4.1
173.09618	3.0
173.13274	11.9
174.10362	3.4
175.11258	14.1
175.14772	8.7
176.11516	4.4
177.09117	2.6
177.12761	3.4
179.08507	5.0
180.09306	2.9
181.10184	6.6
181.12236	13.4
182.10947	3.5
183.11687	14.2
184.12262	3.7
185.13226	11.3
186.13808	2.5
187.11095	3.6
187.14772	4.7
189.12761	5.8
190.13445	4.7
190.37517	2.8
191.10736	4.0
191.14240	5.6
193.10321	5.1
193.12265	6.8
194.10861	6.4
194.12578	3.0
195.11725	7.6
196.12303	5.1
197.09647	2.9
197.13300	8.5
198.13704	5.2
199.11096	2.7
199.14806	4.8
201.12697	5.1
202.13148	3.1
203.14377	20.3
204.14720	5.3
207.11697	6.5
207.13788	9.1
208.12408	2.9
208.14487	4.5
209.13239	8.4
209.15096	3.2
211.11290	4.3
211.14780	7.9
213.12752	5.6
213.16359	2.9
219.13753	3.7
221.13348	7.2
221.15366	100.0
222.13757	4.9
222.15710	21.3
223.14790	5.3
224.15468	2.8
225.16302	3.9
231.13785	3.4
233.13290	4.4
234.16124	9.1
235.16599	7.2
237.16391	3.0
239.18051	4.2
241.15732	3.0
247.14757	2.7
247.16919	14.7
248.17410	8.0
249.16275	5.8
265.19257	2.7
274.19293	3.4
275.19614	4.9
285.18365	3.3
286.19247	5.5
287.20114	8.3
288.20551	4.9
292.20862	2.4
299.20111	6.5
300.20593	7.0
301.21729	3.5
312.20599	5.9
313.21494	4.2
314.22437	2.5
325.21674	5.5
326.22150	4.8
340.23648	7.7
341.24341	5.0
352.23907	7.7
353.24396	13.0
367.26062	3.7
380.26651	2.8
393.27557	3.1
414.27194	3.9
419.29141	3.1
420.29834	9.6
421.30695	3.2
426.26895	5.0
427.20544	2.6
427.28510	4.5
428.28622	6.9
440.29196	6.9
441.29688	18.6
491.35211	5.6
497.36078	2.5
509.36017	6.0
513.24225	2.9
514.24530	7.3
520.34833	3.3
521.35760	21.3
541.23566	6.4
583.40985	10.1
601.26025	16.0
601.42169	44.5
601.51080	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	601.4229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.0
55.05510	24.6
57.07082	4.9
59.72839	3.0
65.03912	4.8
66.93066	3.2
67.05505	31.7
69.03418	14.4
69.07077	21.4
69.45361	25.0
71.04984	4.4
71.92627	3.5
79.05501	36.3
81.07065	44.8
83.04978	22.9
83.08610	16.8
85.06545	10.7
91.05485	58.4
92.05786	4.7
93.07054	81.5
94.07383	5.1
95.04969	21.5
95.08614	41.0
97.06517	18.3
105.04510	3.9
105.07040	100.0
106.07351	10.0
107.08607	70.4
109.06527	20.5
109.10165	33.4
111.08054	6.9
113.09610	6.2
115.05457	10.7
117.07030	22.1
119.06101	3.7
119.08588	88.3
120.08932	10.8
121.06513	10.0
121.09344	5.7
121.10158	79.5
122.10510	3.7
123.08062	13.8
123.11691	14.6
125.09634	14.5
128.06181	16.7
129.07042	19.4
130.07784	11.1
131.08585	38.1
132.08873	5.5
133.06529	7.3
133.10152	61.9
134.10469	6.5
135.08049	20.2
135.11716	21.3
137.09593	13.6
138.09908	4.2
139.11182	5.1
141.06987	10.5
142.07813	27.2
143.08582	49.9
144.09296	13.9
145.10147	74.9
146.07333	4.1
146.10506	7.4
147.08067	16.6
147.11719	19.6
149.09633	20.6
149.13269	5.5
151.07545	4.1
151.11163	5.5
153.07025	4.0
154.07706	4.7
155.08565	20.0
155.10635	8.2
156.09419	18.5
157.10129	59.9
158.10667	12.0
159.08031	16.4
159.11708	36.2
160.08482	5.4
161.09601	13.5
161.13251	6.0
163.11185	7.4
165.07072	6.1
165.09126	9.7
167.08565	11.7
167.10689	52.6
168.09158	3.9
169.10164	28.2
170.10745	11.8
171.11697	38.8
172.12138	5.9
173.09650	7.9
173.13272	25.6
174.13661	4.3
175.11203	11.1
175.14842	12.6
176.11583	5.0
177.12682	4.3
179.08575	10.7
180.09262	6.1
181.10121	16.2
181.12039	4.6
182.10864	12.1
183.11693	33.3
184.12149	11.1
185.09683	3.7
185.13321	22.7
186.13863	5.6
187.11200	8.4
187.14835	7.6
189.12723	11.7
191.14388	4.7
193.10216	19.0
193.11873	3.1
194.10905	10.7
195.11693	25.3
196.12357	9.6
197.13257	27.6
199.11177	7.2
199.14827	13.7
201.12726	8.6
201.16338	5.7
203.14160	6.8
206.10875	8.1
207.11728	11.8
207.13766	5.9
208.12344	10.5
209.13252	29.8
210.13724	7.3
211.11243	5.8
211.14752	17.8
212.15182	3.8
213.12668	5.7
213.16489	7.7
215.14355	6.3
220.12439	8.0
221.13164	14.0
221.15410	20.8
222.13853	4.9
223.14821	9.2
225.12604	4.2
225.16347	9.7
227.14276	5.9
229.15952	5.3
231.11679	3.7
233.13268	8.4
233.15395	25.1
234.13834	6.6
234.15923	6.2
235.14705	11.3
236.15315	6.0
237.16377	11.4
238.16844	4.5
246.14096	4.8
247.14763	6.9
248.15215	4.4
249.16298	7.6
250.17061	4.4
251.17924	4.6
253.15909	5.0
255.17368	8.9
260.15384	4.6
261.16266	6.1
262.17026	5.3
263.17917	6.4
269.18982	7.6
270.19421	3.9
273.18683	5.1
277.19699	4.9
281.19043	4.2
282.19476	4.1
283.20514	3.7
287.20139	5.3
289.19318	5.2
299.20068	5.6
302.19931	4.3
491.35327	4.3
583.41339	6.4
601.41998	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	601.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33453	0.7
55.01871	0.7
66.13785	0.6
67.05486	1.1
67.09077	0.7
68.99769	0.9
69.03423	1.6
69.07043	0.6
69.34902	0.6
70.06603	0.9
70.32267	1.4
70.32632	1.7
71.56802	0.8
71.72268	0.7
79.05501	1.2
81.03426	2.1
81.07052	2.2
84.08155	0.9
85.02892	2.9
87.00816	1.5
91.05480	0.7
93.07021	1.0
97.02860	1.3
100.87592	0.7
105.07030	1.4
107.04961	1.2
109.02883	1.2
109.06532	1.0
121.02882	0.7
121.10206	0.6
125.09535	0.6
127.03921	2.3
145.10222	0.9
149.02310	1.1
161.02373	0.9
165.01889	2.6
177.01825	1.6
177.05492	0.9
183.02937	0.9
190.02597	1.0
191.07083	1.3
204.04242	1.5
219.06543	7.3
220.50061	0.7
255.06462	0.8
255.10304	0.9
281.04517	1.3
283.09720	1.2
299.05612	2.7
311.05521	0.9
317.08295	1.1
325.07208	0.8
335.09213	2.0
353.10217	100.0
354.10587	1.6
377.10165	3.4
395.11304	0.8
419.11273	1.1
443.11523	1.6
512.17621	0.8
601.22272	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.8
55.01865	4.1
55.05507	20.9
57.07071	8.8
59.05002	3.8
59.52802	3.2
65.03944	3.8
67.05515	23.5
69.03448	18.8
69.07056	14.6
70.64990	9.9
71.04989	5.0
79.05487	25.9
81.07063	40.5
83.04987	18.3
83.08614	16.4
85.06544	6.1
91.05481	42.5
93.07047	72.7
95.04990	22.0
95.08176	3.6
95.08619	37.6
96.08926	5.0
97.06548	18.9
99.71777	3.2
103.05453	6.4
105.07038	82.7
107.08603	54.8
109.06513	19.6
109.10172	22.2
110.10546	3.4
111.08115	7.8
113.09650	11.1
115.05449	8.2
117.07014	15.8
119.08590	81.8
121.06509	13.0
121.10146	54.9
122.10492	3.7
123.08079	30.1
125.09624	10.2
128.06242	13.4
129.07014	14.9
130.07762	6.2
131.08586	40.8
133.06448	7.9
133.10143	43.3
135.08031	22.1
135.11742	11.8
137.09633	18.2
139.11195	10.3
141.06995	9.6
142.07759	26.4
143.08577	50.8
144.09355	13.8
145.06512	8.5
145.10118	61.3
146.10442	7.5
147.08058	32.6
147.11719	15.9
149.09618	23.6
151.07578	20.5
151.11194	4.0
153.06941	3.9
154.07780	4.5
155.08588	17.0
155.10635	8.2
156.09386	19.0
157.10149	64.0
158.10861	11.4
159.08067	17.5
159.11679	42.4
160.08829	22.2
161.09683	21.0
161.13274	7.6
163.11177	19.5
165.07016	7.9
165.09100	51.2
167.08556	7.9
167.10732	20.2
167.11963	3.2
168.09267	5.1
169.10130	31.3
170.10774	11.1
171.11681	36.7
172.12440	10.7
173.09622	13.7
173.13254	18.5
174.10306	4.5
175.11205	24.7
175.14783	7.8
177.09091	4.5
179.08563	11.0
179.10727	5.9
181.10095	19.0
181.12271	16.3
182.10928	13.3
183.11667	22.0
184.12375	4.5
185.13258	16.2
186.13756	4.8
187.11182	12.8
187.14789	8.3
189.12775	10.7
190.13521	14.5
191.14285	6.0
192.09357	5.9
193.10136	10.7
193.12247	12.4
194.10912	7.1
195.11697	23.2
196.12323	5.2
197.09642	4.6
197.13301	24.1
198.13760	5.1
199.11133	12.0
199.14850	10.8
201.12714	11.3
203.14287	25.2
206.10674	4.6
207.11650	16.5
207.13805	14.2
208.12387	9.5
208.14508	9.3
209.13219	22.6
209.15201	7.3
211.11223	7.3
211.14799	17.5
213.12772	9.0
213.16435	5.2
215.14354	9.3
218.10930	4.3
219.11798	8.0
219.13763	7.4
220.12390	4.2
221.13271	12.1
221.15350	100.0
222.15721	12.4
223.14851	17.4
225.12778	7.1
225.16402	10.3
227.14285	7.6
229.15742	4.0
233.13173	9.5
233.15372	24.9
234.13838	4.2
234.16032	13.0
235.14766	10.1
237.12755	6.1
237.14680	26.9
239.14296	3.8
247.17009	8.6
248.14032	7.7
249.16362	10.2
255.17508	20.8
259.17151	5.4
261.16287	5.6
263.17984	5.3
269.19058	7.3
270.19809	4.0
271.16907	7.2
274.19238	11.9
279.17453	5.7
281.18906	6.3
285.18628	6.1
286.19159	21.7
287.20026	11.9
289.19629	4.1
294.19797	8.6
295.20590	4.6
298.51794	4.1
299.20142	20.4
300.20648	4.5
303.19568	46.3
311.19946	8.2
312.20767	6.5
313.21576	15.1
325.21664	15.9
337.21576	10.2
352.23975	86.5
365.24738	20.0
377.24695	4.0
383.25922	6.0
502.34222	7.6
507.34827	8.8
508.34973	8.6
520.35492	35.1
567.38373	4.8
582.40515	4.4
600.41467	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	600.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.5
55.05511	15.6
57.07080	20.3
59.04980	4.2
65.03928	4.7
67.05520	20.4
69.03432	15.5
69.07069	8.7
69.82837	6.7
69.83228	8.4
71.05002	3.3
79.05503	29.9
81.07061	35.5
83.04998	21.9
83.08637	7.6
85.06560	6.5
91.05489	50.2
93.07057	62.1
95.04987	22.0
95.08614	31.5
97.06508	17.3
98.21403	6.6
99.42530	3.6
103.46590	3.5
103.99004	3.5
105.07047	87.0
107.08602	55.0
109.06535	20.4
109.10153	14.6
111.08125	5.8
113.09660	3.1
115.05469	6.5
117.07037	24.1
119.08593	76.2
121.06535	13.7
121.10155	49.2
122.70718	4.0
123.08060	28.7
125.06040	6.2
125.09634	12.4
128.06232	15.3
129.07022	28.4
130.07800	12.6
131.08559	35.7
132.09314	3.8
133.06485	12.7
133.10138	42.8
135.08060	26.4
135.11705	13.9
137.05945	3.8
137.09666	15.8
139.07561	7.0
141.07004	11.1
142.07805	22.1
143.08569	46.4
144.09341	13.9
145.10141	59.2
147.08057	39.2
147.11696	13.9
149.09662	20.2
151.07567	21.7
153.06976	4.9
153.09033	4.0
155.08545	19.9
156.09357	20.8
157.08952	6.7
157.10143	69.2
158.10965	8.0
159.08128	16.7
159.11708	32.6
161.09660	22.2
161.13277	9.6
163.11201	22.6
165.07001	5.2
165.09134	47.5
167.08578	8.6
167.10738	16.5
168.09314	8.1
169.10126	28.7
170.10930	8.0
171.11685	38.0
172.08893	5.4
172.12460	10.2
173.09618	15.6
173.13303	14.8
175.11203	33.3
175.14812	4.0
177.12695	4.7
179.08533	7.1
179.10649	3.3
180.09352	9.3
181.10216	17.4
181.12189	21.4
182.10913	11.7
183.11685	23.3
184.12357	3.9
185.09637	7.4
185.13235	23.0
187.11241	10.7
187.14771	4.0
188.12010	4.0
189.12732	19.0
190.13496	15.2
191.14278	5.5
193.10153	16.0
193.12285	9.3
194.10886	8.9
194.12854	4.1
195.11690	28.1
195.13353	4.2
196.12451	11.2
197.09599	4.5
197.11638	5.7
197.13214	22.9
199.11234	9.0
199.14836	7.4
201.12718	7.3
203.14365	26.0
205.10173	6.0
206.10942	6.9
207.11691	15.3
207.13805	21.3
208.12549	7.5
208.14624	6.4
209.13313	18.2
209.15076	3.9
210.14102	7.6
211.14850	11.8
213.12747	9.4
215.10754	3.5
215.14377	5.7
219.11786	5.1
219.13791	7.7
220.12401	3.7
221.13272	12.8
221.15358	100.0
222.15825	9.2
223.14861	16.0
225.12708	5.6
225.16449	7.0
227.14337	4.7
229.12332	5.0
229.16022	3.9
231.11751	7.1
232.12503	4.2
233.13264	8.0
233.15390	25.0
234.16150	15.0
235.14816	12.4
235.16942	6.0
237.12671	6.9
237.14699	33.7
239.14325	6.3
241.15840	6.0
246.13957	5.4
247.14839	7.3
247.17032	8.6
248.14030	6.0
249.12666	4.2
249.16298	9.5
251.14310	5.7
253.15939	9.0
255.17438	19.4
261.16388	8.5
263.18097	5.4
267.17413	5.2
269.19077	6.2
270.19830	4.9
271.17114	7.5
273.18695	5.5
274.19281	11.8
279.17493	7.9
281.19098	5.9
285.18588	7.0
286.19211	19.5
287.20139	7.8
297.18588	8.8
297.22412	3.5
299.20120	11.0
303.19586	42.0
309.18600	5.2
311.20166	9.1
312.20935	7.5
313.21747	16.5
325.21655	40.6
337.21692	9.2
344.80127	3.2
347.23422	4.6
352.23987	71.0
365.24857	43.8
377.24734	4.7
383.26151	4.5
392.27118	3.4
502.34344	5.3
503.34842	9.1
505.33102	5.7
507.34793	35.9
508.34586	4.8
520.35492	36.6
540.24530	4.0
567.37915	5.7
582.40729	6.0
583.41907	3.9
585.39081	8.1
600.41547	34.3
604.79291	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03112	2.4
53.03953	5.9
55.05513	16.5
57.07077	18.3
59.04990	4.8
61.94111	2.5
65.03926	7.1
67.05507	33.3
69.03429	16.5
69.07076	13.7
70.73213	6.3
70.73545	5.1
71.04993	5.5
79.05498	34.1
81.03435	3.3
81.07058	42.1
81.37724	2.7
83.04987	12.0
83.08621	10.0
85.06535	12.3
89.06027	9.5
91.05483	55.9
91.14973	2.5
93.07044	59.1
95.04987	16.2
95.08599	41.2
97.06515	13.9
103.05464	4.8
105.04542	2.6
105.07034	91.4
106.07819	3.9
107.04935	4.0
107.08605	45.5
109.06538	23.2
109.10156	24.8
111.08092	5.2
113.09643	4.1
115.05453	5.4
116.06233	3.5
117.07024	20.6
119.08588	100.0
120.09352	5.9
121.06499	12.9
121.10142	38.8
122.07269	3.4
123.08061	32.9
123.11719	3.8
125.06001	8.3
125.09563	6.5
128.06227	11.4
129.07004	27.1
130.07823	7.2
131.08569	59.9
132.09360	4.6
133.06470	5.8
133.08572	6.4
133.10135	45.1
135.08060	29.6
135.11717	12.0
137.09618	20.8
139.07552	3.3
141.07014	8.3
142.07790	28.7
143.08556	51.8
144.09418	14.3
145.06476	11.6
145.09061	5.6
145.10132	79.3
146.10869	4.9
147.08047	31.7
147.11716	14.7
148.08899	2.9
149.09616	16.0
150.10344	3.4
151.07547	14.3
151.11145	3.9
153.07066	5.1
154.07758	3.1
155.08588	23.3
155.10606	6.3
156.09372	22.5
157.08832	3.8
157.10127	77.3
157.11331	5.2
158.10931	15.6
159.08060	17.7
159.11702	50.2
160.08835	27.2
160.12488	3.1
161.09599	17.4
161.13280	9.3
162.10396	4.2
163.11188	21.1
165.07033	5.2
165.09122	57.7
166.07805	4.2
167.08562	14.1
168.09331	5.2
169.10162	33.1
170.10918	8.6
171.11694	46.5
172.08919	3.1
172.12469	10.2
173.09610	13.6
173.13283	20.5
175.11179	28.3
175.14853	4.8
177.09157	2.8
177.12735	4.6
178.09866	4.9
179.08571	11.9
179.10703	3.1
179.14244	5.1
180.09311	8.0
180.11478	5.6
181.10143	21.2
181.12256	20.2
182.10898	10.4
183.11710	35.6
184.12473	7.9
185.09663	8.9
185.13217	19.5
186.13890	3.5
187.11220	10.6
187.14838	9.6
188.11934	3.8
189.12753	13.4
190.13541	15.5
191.10628	5.4
191.14328	3.4
192.09380	6.7
193.10393	15.0
193.12064	17.4
194.10892	9.0
195.11716	25.0
195.13521	4.4
196.12502	12.7
197.09642	3.9
197.13284	28.6
198.10454	5.6
199.11244	8.5
199.14877	9.4
201.12787	8.3
201.16359	3.8
203.14294	30.1
206.10931	6.2
207.11682	14.8
207.13815	16.3
208.12451	7.4
208.14589	11.0
209.13252	19.7
209.15211	5.7
210.14030	6.7
211.11195	7.0
211.14793	17.2
212.11885	3.8
213.12785	10.5
213.16293	6.1
215.14359	6.3
216.15131	4.6
219.11807	5.2
219.13849	11.0
220.12524	4.2
221.13269	18.2
221.15329	94.8
223.11208	5.1
223.14767	14.6
225.12735	7.6
225.16389	6.2
226.13496	4.1
227.14352	4.7
229.15823	4.0
231.11734	3.9
232.12537	3.6
233.13254	7.7
233.15375	4.8
234.14014	4.0
234.16145	30.0
235.14787	12.5
236.15678	4.1
237.12752	9.3
237.16415	7.8
238.17183	3.3
239.14301	4.6
241.15849	8.1
245.13260	4.2
246.16197	4.9
247.14841	5.3
247.16963	24.3
248.17926	3.2
249.16377	9.1
251.14331	4.1
251.18002	5.2
253.15923	6.0
255.17383	4.2
259.14703	4.0
259.17059	6.9
261.16376	4.1
261.18832	3.7
262.19260	5.1
263.14481	3.4
263.17984	4.0
265.16016	3.8
267.17435	4.0
269.19144	5.3
271.16977	7.1
274.19275	9.5
277.19534	3.7
279.17444	4.9
281.19037	5.5
286.19308	10.0
287.20145	16.0
293.19131	3.6
297.18585	7.5
299.20102	17.8
300.20871	5.9
301.19315	4.0
311.20099	6.8
312.20810	9.0
313.21555	7.6
319.20465	6.1
325.21503	19.3
326.22336	6.5
334.21371	3.7
337.21667	18.1
339.23288	3.4
340.24066	6.1
352.23981	97.4
353.24710	4.4
365.24799	20.1
377.24783	4.1
391.26215	7.7
392.26981	3.1
400.26132	3.1
419.29477	5.2
420.29810	3.3
425.26770	4.4
427.28671	5.0
440.29288	12.0
454.30664	5.7
505.32959	4.9
507.34705	11.3
508.34885	6.3
520.35504	95.4
521.35895	6.2
585.39075	3.6
600.41846	30.1
600.50580	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	600.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91777	2.9
52.53807	2.9
53.03942	10.6
55.05516	22.7
57.07069	8.2
61.66378	3.0
65.03919	5.0
67.05508	31.1
69.03444	17.7
69.07076	18.6
70.54552	7.7
70.54948	6.8
71.04974	8.0
73.17399	3.4
77.03903	3.7
79.05499	41.0
81.07064	40.4
83.04982	20.2
83.08619	13.4
85.06541	8.6
87.04468	4.6
89.06049	3.9
91.05489	68.5
93.07053	60.4
95.04965	22.1
95.08623	33.4
97.06522	15.5
103.05492	6.4
105.07036	100.0
107.04978	3.8
107.08599	79.6
109.06547	19.4
109.10158	35.6
111.08068	5.1
113.06036	5.4
113.09650	6.8
115.05485	9.2
116.06249	3.8
117.07028	28.6
119.08591	82.0
120.09395	4.8
121.06508	12.7
121.10145	51.7
123.08085	35.3
123.11723	7.2
125.09626	12.3
128.06226	21.8
129.07050	25.2
130.07782	11.2
131.08588	45.0
132.09357	6.2
133.06488	6.6
133.10152	48.3
134.10901	4.4
135.08058	19.1
135.11693	14.5
137.09630	10.2
139.11153	5.1
139.39873	3.2
141.06963	17.8
142.07780	30.8
143.08578	59.8
144.09364	18.7
145.06451	4.2
145.09077	2.6
145.10135	74.8
146.10924	3.7
147.08034	14.6
147.11716	30.9
149.09604	18.5
151.07574	8.3
151.11166	3.6
153.06989	7.6
154.07835	4.7
155.08574	22.1
155.10672	13.7
156.09329	27.6
157.10146	86.8
158.07315	4.1
158.10886	9.7
159.08096	25.0
159.11719	48.7
160.08817	5.4
161.09641	16.2
161.13249	9.5
163.11235	8.2
165.07060	9.5
165.09129	12.7
166.07814	5.1
167.08551	15.0
167.10699	17.6
168.09378	8.2
169.10149	37.7
170.10918	16.7
171.08029	4.4
171.11694	45.2
172.08894	5.1
172.12457	7.6
173.09618	11.0
173.13274	28.3
175.11194	17.6
175.14912	6.5
179.08577	15.4
180.09407	9.1
181.10136	26.1
181.12155	4.7
181.96762	3.5
182.10934	12.8
183.08026	3.9
183.11711	35.9
184.12436	8.2
185.09657	5.9
185.13319	26.3
186.14067	4.0
187.11154	7.7
187.14827	10.8
189.12837	11.8
190.13564	5.6
191.14270	6.7
192.09386	5.0
193.10143	19.5
193.12016	4.6
194.10893	12.1
195.11732	29.8
196.12486	11.7
197.09653	5.4
197.13304	35.1
198.13905	3.9
199.11235	7.6
199.14845	15.4
201.12770	5.5
203.14377	13.4
205.10236	5.3
206.10904	9.7
207.11740	20.8
207.13644	4.8
208.12503	10.0
209.13301	32.5
210.14122	6.5
211.11255	5.0
211.14774	24.0
213.12762	13.9
214.27747	3.4
215.14291	12.5
216.14983	3.9
217.15892	6.3
219.11740	8.2
220.12498	8.3
221.13251	18.8
221.15437	16.6
222.14085	6.2
223.14803	20.8
224.15593	4.2
225.12723	10.3
225.16409	7.4
227.14323	9.3
231.13831	5.8
232.12523	4.5
233.13295	12.7
233.15410	28.5
234.14058	6.5
234.16185	7.0
235.14789	16.0
237.16422	18.7
239.14362	5.3
239.17944	6.6
241.15977	6.6
245.15514	4.2
246.16333	3.9
247.14856	6.5
249.16423	9.9
251.17943	4.5
253.15927	4.4
255.17485	39.5
259.14810	8.8
261.16339	8.2
263.17914	11.6
265.19644	4.5
267.17346	4.0
269.18976	6.0
270.19659	5.7
273.18576	8.3
275.17722	3.8
279.17386	6.5
281.18979	10.6
285.18597	7.3
286.19434	4.3
289.19556	7.7
294.19788	3.5
295.20483	6.6
299.20364	5.3
313.21976	4.9
333.22156	4.3
347.23776	4.1
365.24701	10.3
383.25653	7.5
600.41364	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	600.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78190	3.6
53.03949	6.7
55.05517	19.6
57.07066	9.5
65.03919	5.0
65.17632	5.1
67.05511	33.2
69.03429	23.8
69.07060	23.7
69.54044	24.7
70.06580	9.0
71.04988	4.9
72.28943	3.9
73.93768	3.7
79.05492	34.7
81.07059	37.2
83.04977	17.9
83.08630	8.7
85.06581	8.9
87.04479	4.6
91.05482	61.0
93.07047	73.1
95.04984	25.2
95.08615	39.3
97.06532	8.9
98.21497	6.7
103.05454	7.9
105.07035	100.0
107.08589	64.6
109.06525	27.6
109.10163	31.5
111.08070	5.4
115.05400	9.7
116.07087	10.7
117.07024	26.0
119.08588	93.8
121.06523	17.6
121.10146	50.6
123.08100	34.5
125.09636	10.9
128.06227	17.6
129.07004	28.5
130.07748	8.7
131.08577	49.5
132.09348	6.1
133.06505	9.9
133.10141	45.7
135.08075	27.3
135.11693	15.4
137.05937	4.7
137.09608	13.8
139.11229	5.1
141.06998	12.6
142.07805	21.9
143.08562	62.1
144.09326	13.4
145.06474	6.0
145.10135	70.5
146.07277	4.9
147.08067	35.3
147.11679	15.6
149.09650	19.8
151.07574	20.3
153.06937	7.8
154.07729	7.9
155.08572	26.0
155.10628	8.0
156.09364	21.5
157.10136	81.4
158.10898	5.7
159.08011	20.4
159.11685	45.1
160.08833	5.1
161.09657	23.3
161.13232	8.2
163.11159	18.4
165.06998	8.7
165.09087	42.8
167.08540	7.6
167.10663	25.0
168.09338	15.1
169.10158	36.4
170.10849	13.9
171.08008	5.6
171.11696	44.7
172.12407	6.3
173.09615	15.8
173.13274	18.9
175.11229	20.1
175.14845	6.8
177.12825	5.6
179.08556	10.8
179.10683	4.8
180.09358	8.8
181.10112	22.8
181.12247	11.1
182.10921	13.2
183.11714	29.7
185.09622	11.8
185.13263	31.6
186.14026	5.5
187.11131	13.6
187.14778	8.4
189.12776	15.7
190.13545	13.9
191.14285	6.2
192.09293	5.0
193.10147	17.4
193.12170	8.6
194.10831	11.8
195.11690	33.1
196.12393	10.7
197.09705	5.5
197.13310	28.7
199.11208	12.2
199.14833	10.2
201.12766	16.4
203.14293	26.3
205.10214	7.8
206.10915	6.7
207.11702	17.4
207.13782	14.1
208.12569	8.7
208.14529	10.0
209.13298	26.2
209.15053	5.1
211.11186	8.1
211.14771	23.6
212.15370	4.9
213.12727	8.5
213.16286	4.6
215.14369	9.5
218.10957	4.5
219.11780	5.5
219.13771	5.9
220.12315	7.5
221.13211	13.2
221.15308	87.4
223.14839	18.3
224.15457	4.2
225.12759	8.4
225.16252	8.0
227.14313	7.4
231.11436	5.0
233.13391	6.8
233.15402	28.9
234.16031	16.4
235.14749	13.6
237.12637	8.1
237.14491	25.7
239.14366	5.3
245.13290	5.9
247.14853	6.3
247.17081	9.2
249.16539	6.1
251.14276	5.9
253.15901	6.1
255.17490	32.8
261.16272	8.7
269.18979	5.2
271.17142	7.7
274.19299	15.8
275.17767	5.8
277.19589	5.3
281.18979	8.8
285.18494	10.8
286.19220	12.8
287.20102	6.8
294.19870	6.0
299.20068	16.5
301.61002	4.5
303.19556	41.0
312.20630	7.0
313.21530	16.5
325.21570	11.7
352.23962	82.1
365.24762	18.1
377.24832	7.7
383.25580	9.3
502.34128	5.0
505.32974	6.0
507.34448	13.0
508.34991	14.5
520.35278	33.8
582.40485	6.3
585.39270	5.5
600.41449	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	600.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.3
55.05512	19.2
57.07071	10.4
59.04998	2.9
61.51449	2.2
65.03941	4.8
67.05511	29.7
69.03442	12.6
69.07070	17.3
70.35418	2.1
70.73862	2.8
70.74197	5.2
71.05001	6.8
79.05505	29.7
81.07056	38.0
83.04989	16.6
83.08630	13.7
85.02925	2.4
85.06544	7.1
87.04472	4.1
91.05492	57.1
93.06483	3.8
93.07053	60.9
95.04965	22.9
95.08614	32.3
97.06541	17.9
103.05501	3.2
105.04605	2.8
105.07039	100.0
107.04981	3.3
107.08597	58.8
108.09442	3.1
109.06516	17.3
109.10165	29.1
111.08086	6.3
113.09642	7.0
115.05456	7.1
116.06297	3.1
117.07006	21.1
119.08589	74.4
121.06522	10.5
121.10156	47.0
123.08057	29.1
123.11720	5.9
125.09673	13.3
128.06219	21.2
129.07014	27.8
130.07793	7.5
131.08572	44.0
132.09358	6.1
133.06531	5.6
133.10135	48.3
134.10901	4.1
135.08070	21.4
135.11736	14.5
136.08801	3.2
137.09622	11.1
139.11189	4.4
141.07022	10.9
142.07791	28.9
143.08563	53.0
144.05812	3.4
144.09335	15.1
145.06496	6.1
145.10135	65.7
147.08057	21.0
147.11693	20.7
149.09612	19.0
151.07558	9.0
151.11111	3.0
153.07001	4.0
154.07831	3.1
155.08578	22.2
155.10632	13.5
156.09351	23.5
157.10139	68.2
158.10941	13.4
159.08090	19.8
159.11693	44.2
160.08839	6.9
160.12418	2.4
161.09624	17.9
161.13289	11.4
163.11201	10.3
165.07024	7.0
165.09129	10.9
166.07755	6.1
167.08606	13.7
167.10687	14.2
168.09393	6.6
169.10139	32.7
170.10971	11.8
171.11694	45.7
172.08852	3.0
172.12437	3.1
173.09676	11.2
173.13254	27.4
175.11195	20.5
175.14854	7.4
177.12770	3.7
179.08589	14.3
180.09377	8.7
181.10149	25.1
181.12206	4.7
182.10976	12.7
183.08061	3.4
183.11696	37.3
184.12515	6.3
185.09702	7.7
185.13268	31.5
186.14055	4.8
187.11153	11.8
187.14833	7.6
189.12704	11.2
189.45613	2.5
190.13550	7.3
191.14348	6.5
192.09373	7.3
193.10135	18.4
194.10931	10.3
195.11717	27.9
195.13506	4.1
196.12502	11.4
197.09717	3.0
197.13274	28.8
199.11249	8.2
199.14865	15.0
201.12708	6.9
202.13811	2.7
203.12755	2.8
203.14371	15.0
205.10217	4.3
205.12225	2.8
206.10982	8.9
207.11719	19.4
207.13736	7.0
208.12509	9.6
208.14256	2.4
209.09581	4.3
209.13287	24.7
209.15190	4.2
210.13986	7.5
211.11270	8.0
211.14784	16.4
212.11938	2.5
213.12793	8.8
213.16457	8.6
215.14360	9.9
217.10252	3.8
217.15883	2.8
219.11725	8.0
219.13795	6.0
220.12421	8.3
221.13274	14.3
221.15410	19.5
222.13971	8.1
223.14824	17.5
224.15614	3.9
225.12785	4.8
225.16425	8.0
227.14340	10.4
229.15906	4.8
231.11755	5.6
233.13286	8.8
233.15427	25.1
234.13905	4.4
234.16084	5.9
235.14923	13.7
235.17012	4.0
237.12749	3.5
237.16478	14.9
239.14389	4.1
239.17926	4.4
241.15950	5.1
243.11729	3.3
244.12299	4.1
245.13246	5.2
246.13976	5.2
246.16315	3.6
247.14807	8.4
247.17097	5.1
249.16432	10.3
251.18007	4.6
253.15755	3.2
253.19574	3.4
255.17413	35.8
259.14700	4.4
261.16409	8.5
263.14447	2.6
263.17966	10.2
265.19547	3.6
265.70963	2.7
267.17465	3.4
268.18118	3.7
269.19034	7.7
270.19849	6.6
273.16098	3.3
273.18515	6.3
275.17929	4.1
277.15668	3.4
281.19107	6.4
283.20511	4.3
285.18704	4.6
287.20041	6.4
289.19696	6.5
295.20248	4.5
297.18558	5.7
299.20190	5.4
303.19931	2.5
307.20511	3.0
329.22787	3.6
332.21371	2.6
345.22379	3.9
347.23782	5.7
352.23987	5.5
360.24423	5.9
365.24631	9.0
383.25806	3.1
439.28735	2.9
508.51593	2.6
513.57678	2.7
582.39862	2.8
600.41913	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	600.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.8
55.05516	26.0
57.07081	27.2
59.05000	6.1
59.48829	4.3
64.49827	4.1
67.05514	56.8
69.03424	17.4
69.07074	26.3
69.79315	24.7
71.04991	5.1
71.08631	14.1
76.32388	4.4
78.11783	4.2
79.05499	31.0
81.07060	57.2
83.04980	25.7
83.08625	20.0
85.06544	10.5
85.10189	12.3
87.04452	9.1
89.06042	74.8
91.05486	67.4
93.07051	65.3
93.07583	8.0
95.04982	24.4
95.08616	43.2
97.06523	18.0
98.21639	4.4
103.05476	4.6
105.07037	94.4
107.08601	65.8
109.06536	21.1
109.10165	43.9
111.08089	8.6
113.09633	6.4
115.05516	7.2
117.07047	27.5
119.07815	9.1
119.08593	100.0
120.13342	4.1
121.06487	11.5
121.10138	65.4
123.08070	35.7
123.11728	5.5
125.09637	15.9
128.06221	17.9
129.07007	28.7
130.07811	12.8
131.08578	52.3
132.09396	5.7
133.06462	8.3
133.08632	30.1
133.10120	51.2
135.08054	16.4
135.11679	12.6
137.09610	16.3
141.07002	12.6
142.07770	30.7
143.08585	57.9
144.09294	13.6
145.10130	77.4
147.08049	15.2
147.11722	25.8
149.09578	21.4
151.07616	8.9
153.07024	6.0
154.07785	7.2
155.08546	20.0
155.10645	10.2
156.09328	27.5
157.10147	77.3
158.10898	13.7
159.08041	20.2
159.11681	44.3
160.08861	9.3
161.09583	23.2
161.13255	6.6
163.11244	9.0
165.07011	11.8
166.07803	4.7
167.08577	14.2
167.10663	24.4
167.36591	4.6
168.09293	13.7
169.10135	36.6
170.10950	10.4
171.11681	46.8
172.08781	5.5
173.09613	8.1
173.13303	25.5
175.11212	23.9
175.14839	10.1
177.11232	11.6
179.08582	14.8
180.09315	7.3
181.10091	20.6
181.12254	6.7
182.10933	15.1
183.11726	31.0
184.12444	7.1
185.09494	5.7
185.13344	24.7
187.11125	11.0
187.14809	13.8
189.12750	7.9
191.14314	6.6
192.09511	5.5
193.10118	20.4
193.11937	4.5
194.10968	10.4
195.11722	30.7
196.12431	9.8
197.13333	29.0
199.11160	12.5
199.14842	15.3
201.12712	10.1
201.16310	6.4
201.63307	4.7
203.14293	14.2
207.11711	21.0
207.13670	6.3
208.12469	10.1
209.13335	24.2
209.15088	5.1
211.14828	18.6
212.11992	5.1
212.15437	4.9
213.12799	13.7
213.16452	7.6
215.14328	14.3
217.15990	5.1
219.11658	8.1
219.13789	7.6
220.12575	5.4
221.13290	21.1
221.15399	20.8
222.13913	5.8
223.14781	19.6
225.12761	12.2
225.16415	11.7
227.14449	9.9
229.15947	7.3
233.13412	7.9
233.15352	30.6
234.14030	7.7
234.16190	8.6
235.14865	12.2
237.16377	19.2
239.18007	7.0
241.15822	6.2
245.13306	6.3
247.14876	11.9
249.16339	13.4
251.17874	9.4
253.15797	5.0
255.17418	40.1
261.16370	10.5
263.17996	12.5
265.16104	5.7
269.19028	5.8
270.19711	6.4
275.17798	7.1
281.18985	5.6
285.18497	4.9
301.27347	5.0
359.23523	5.4
365.24762	7.2
383.24893	14.2
387.26822	5.9
411.27283	29.5
540.37421	4.6
541.24445	7.0
600.41687	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	600.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25883	3.2
53.03949	5.5
55.05511	14.3
57.07073	11.6
59.04997	4.0
61.52124	3.3
65.03941	4.5
67.05504	22.2
69.03438	16.7
69.07083	14.8
69.55145	21.4
79.05496	40.4
81.07063	36.9
83.04987	19.9
83.08627	7.6
83.49785	3.2
84.12730	3.1
85.06540	7.1
91.05487	50.6
91.92264	2.8
93.07048	66.9
95.04983	19.7
95.08622	38.4
97.06551	9.9
103.05470	5.7
105.07041	86.4
106.07825	3.5
107.08608	59.0
109.06509	21.6
109.10173	19.2
111.08083	5.3
115.05479	6.5
117.07034	19.0
119.08586	85.2
121.06515	16.7
121.10145	48.3
123.08073	31.9
123.11738	3.2
125.06035	5.5
125.09628	9.1
128.06216	17.0
129.07010	28.4
130.07814	10.5
131.08592	44.7
132.30414	3.5
133.06502	8.1
133.10147	44.8
135.08081	25.8
135.11656	17.3
137.09657	13.1
139.07524	4.0
141.06992	9.4
142.07796	38.3
143.08568	54.3
144.09380	16.7
145.06577	4.5
145.10144	62.4
146.10722	3.4
147.08049	41.1
147.11653	7.9
149.09593	24.2
151.07539	21.1
153.06975	7.0
153.09021	3.5
155.08585	20.0
156.09358	23.4
157.10143	67.1
158.10847	7.6
159.08031	19.5
159.11693	35.6
161.09627	24.8
161.13228	6.1
163.10020	3.7
163.11147	19.3
165.07039	6.4
165.09128	47.0
166.07809	6.6
167.08583	12.9
167.10715	14.0
168.09370	7.5
169.10164	24.5
170.10890	9.6
171.08170	4.2
171.11696	42.2
172.08812	4.6
172.12442	6.5
173.09628	16.0
173.13287	14.8
174.13943	3.3
175.11203	28.0
175.14786	4.5
177.09145	6.7
177.12822	4.2
179.08577	13.3
179.10701	3.6
180.09267	3.8
181.10135	17.7
181.12204	9.6
182.11000	8.2
183.11708	27.5
185.09631	7.9
185.13228	20.9
186.13905	4.1
187.11200	13.6
187.14871	8.5
189.12798	13.8
190.13550	10.9
191.14195	7.4
192.09341	7.8
193.10158	19.0
193.12280	12.4
194.10968	5.2
195.11745	27.6
196.12450	9.6
197.09633	8.9
197.13231	22.6
198.13841	4.3
199.11227	9.8
199.14894	4.5
201.12831	6.7
201.16492	3.8
203.14322	34.9
206.10991	4.5
207.11752	13.3
207.13879	19.3
208.12386	11.3
208.14624	11.4
209.13290	14.7
211.11194	6.7
211.14850	13.1
212.12044	3.7
213.12761	12.7
213.16338	4.2
215.14420	6.2
217.10236	5.0
217.12268	5.1
217.15855	4.2
219.11707	9.4
219.13802	8.8
220.12624	5.1
221.13315	13.3
221.15364	84.2
222.13983	6.0
222.15874	5.3
223.14859	13.2
225.12762	11.3
225.16406	10.7
227.14374	6.0
228.15169	4.1
231.14145	3.7
232.12468	4.9
233.13316	7.8
233.15425	21.6
234.16045	13.0
235.14827	9.5
235.16930	4.2
236.15570	3.6
237.12706	9.5
237.14688	41.4
239.17889	4.8
241.15794	4.5
245.13278	5.4
246.14043	5.1
247.14810	5.1
247.16963	8.8
248.14102	13.5
249.16492	6.6
251.18013	4.1
253.15878	4.6
255.17517	22.6
261.16357	7.3
263.14282	5.1
263.17975	9.3
265.15979	3.7
267.17273	5.3
268.18140	3.9
270.19751	4.3
271.16977	6.8
273.18701	5.6
274.19391	11.4
275.17740	3.4
277.19501	3.8
279.17374	4.7
281.19025	9.5
283.20651	4.3
285.18692	6.1
286.19315	14.1
287.20074	14.3
291.17325	3.9
294.19788	7.2
297.18475	5.9
299.20172	15.7
303.19540	60.6
310.19150	6.9
312.20920	7.9
313.21600	13.2
319.20691	5.6
325.21722	12.0
337.21719	7.7
352.23984	100.0
365.24832	23.3
377.24832	6.6
383.25812	5.9
420.30490	4.9
502.34521	11.1
503.35223	7.8
505.33005	7.8
507.34549	11.9
508.35052	9.8
520.35571	50.2
521.35443	3.2
567.38696	3.7
582.40253	4.6
585.39398	4.2
600.41534	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	600.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.3
55.01875	3.4
55.05520	19.0
55.51107	2.3
57.07070	12.5
57.82257	2.0
59.04994	3.8
61.36193	2.2
65.03933	3.1
67.05505	26.0
67.48116	2.2
69.03417	7.5
69.07063	19.7
70.06590	2.2
79.05489	33.3
81.07062	44.2
83.04972	18.8
83.08619	13.4
85.06555	5.8
89.06049	4.8
91.05489	51.4
93.07053	66.1
95.04955	9.0
95.08613	40.6
97.06525	9.2
103.05463	4.3
105.07039	72.2
107.08605	56.9
109.06522	9.3
109.10171	28.9
111.08074	3.6
111.11722	2.3
115.05453	7.2
116.06229	3.9
117.07034	22.3
119.04922	2.3
119.08586	100.0
120.09399	4.2
121.06499	8.4
121.10154	67.8
122.52718	2.3
123.08064	9.3
123.11712	13.4
125.05983	2.5
125.09707	10.4
128.06241	11.4
129.07019	15.2
130.07796	9.0
131.08574	41.2
133.06485	4.4
133.10139	55.9
135.08064	11.1
135.11708	24.4
137.09642	7.1
139.11177	8.6
141.06987	8.1
141.91066	2.2
142.07784	20.8
143.08580	34.2
144.09357	12.3
145.06456	5.1
145.10136	67.4
147.08089	6.1
147.11696	21.7
149.09625	18.8
149.13258	5.6
151.11127	4.9
153.06999	2.7
154.07758	2.4
155.08614	12.9
155.10652	6.1
156.09364	16.2
157.10138	43.8
158.10849	5.3
159.08012	8.0
159.11711	40.1
160.08942	2.3
161.09625	10.0
161.13226	10.0
163.07405	3.2
163.11160	8.2
165.06987	6.7
165.09193	2.7
166.07779	3.0
167.08517	7.4
167.10690	53.5
168.09369	5.8
169.10126	23.6
170.10863	8.2
171.11702	25.0
172.12341	3.5
173.09703	3.8
173.13281	23.2
175.11226	4.3
175.14848	26.9
177.12755	8.1
179.08559	9.8
180.09323	6.9
181.10104	12.9
181.12280	5.1
182.10909	8.3
183.11699	22.4
184.12422	3.6
185.09601	6.4
185.13254	16.2
187.11197	3.0
187.14809	15.1
189.12717	3.2
191.14340	6.3
193.10130	11.4
194.10863	6.8
195.11702	22.9
195.13559	3.8
196.12410	6.2
197.09708	2.7
197.13272	23.7
198.13982	3.5
199.11148	6.4
199.14853	8.3
201.12738	4.0
201.16403	10.0
203.14226	2.8
206.10941	3.7
207.11714	10.7
207.13684	2.8
208.12448	8.1
209.13239	24.6
210.13977	5.5
211.11279	3.2
211.14804	14.4
213.16367	3.3
215.14323	5.0
217.10182	3.4
217.15779	3.2
219.11761	3.9
219.13792	5.2
219.17433	3.6
221.13257	13.0
221.15294	4.6
222.13974	4.6
223.14830	15.0
224.15318	2.9
225.16379	3.1
227.14293	3.5
229.47702	2.5
233.13234	3.6
233.15292	5.5
234.16057	6.8
235.14781	8.8
237.16319	7.7
239.17935	5.7
241.15842	2.8
241.19466	2.9
245.13126	2.5
247.14743	5.1
249.16318	4.0
251.17918	4.3
253.19522	3.4
255.17421	6.9
259.17099	2.7
259.20413	3.4
261.16412	5.7
263.17993	4.3
265.19504	8.4
273.16290	2.6
275.17715	3.6
277.19543	4.0
283.20419	5.0
299.19965	3.3
326.02664	2.5
349.25449	2.5
363.26929	12.6
465.33810	5.2
469.19095	10.8
513.17493	4.3
525.20880	5.4
539.37878	3.0
557.40161	12.3
582.40649	5.4
600.28558	2.5
600.31311	3.0
600.41479	25.9
601.22900	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	600.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04364	2.9
53.03949	7.1
55.01855	2.7
55.05518	17.4
57.07085	17.4
65.03940	3.3
67.05513	34.9
69.03441	16.1
69.07076	16.6
69.14841	22.2
69.15263	6.6
71.04984	7.9
79.05494	36.7
81.03423	3.7
81.07053	48.7
83.04985	9.6
83.08633	15.4
85.06541	12.0
87.04482	6.1
89.06037	11.2
91.05486	56.8
92.05803	3.9
93.07049	66.1
95.04976	19.1
95.08614	52.3
96.08955	3.3
97.06530	28.7
98.21528	5.8
103.05449	5.9
105.07040	88.7
106.07846	3.9
107.08598	57.1
109.06559	15.8
109.10159	29.7
111.08076	6.3
113.09648	9.8
115.05490	4.7
117.07014	24.6
119.05002	3.6
119.08594	100.0
120.09425	3.9
121.06519	12.2
121.10151	40.0
123.08078	43.0
123.11728	5.0
125.06039	5.5
125.09631	8.0
128.06252	16.3
129.07039	24.7
130.07806	9.8
131.08582	59.5
132.09416	3.3
133.06505	6.9
133.08615	3.8
133.10144	45.0
134.10905	3.0
135.08072	21.9
135.11708	17.1
136.08746	2.7
137.09624	21.0
139.11174	9.6
141.06999	9.7
142.07794	26.5
143.08569	57.8
144.09341	16.4
145.06514	11.7
145.10126	79.0
146.10744	5.7
147.08043	28.5
147.11707	19.9
149.09651	18.0
151.07552	12.6
151.11212	3.7
151.18887	2.8
153.07057	4.8
155.08629	20.2
155.10670	14.8
156.09349	25.7
157.10144	78.5
158.10921	17.5
159.08067	15.3
159.11707	57.6
160.08882	34.5
160.12329	2.6
161.09641	17.4
161.13283	11.6
163.11209	17.5
165.07034	7.3
165.09143	39.2
166.07820	3.8
166.09456	3.6
167.08604	9.4
168.09386	7.4
169.10138	33.3
170.10910	12.5
171.08119	3.1
171.11700	56.4
172.08949	4.7
172.12434	6.0
173.09636	12.4
173.13274	18.0
175.11183	28.2
175.14877	7.9
177.09111	5.7
177.12711	3.1
179.08575	11.7
179.10675	2.7
179.14313	5.7
180.09358	5.7
180.11464	4.0
181.10202	17.2
181.12256	20.0
182.10957	13.2
183.11722	34.2
184.12491	7.2
185.09637	10.7
185.13260	23.0
186.10316	3.4
186.13966	3.5
187.11205	7.4
187.14828	7.9
189.12769	9.5
190.13531	6.8
191.10597	3.8
191.14366	5.0
192.09366	4.2
193.10152	12.6
193.12288	12.5
194.10945	10.4
195.11717	28.3
195.13710	7.3
196.12517	13.8
197.09659	4.0
197.13295	35.0
198.14037	5.0
199.11273	5.8
199.14822	14.2
201.12772	8.4
203.14330	22.2
205.10092	3.7
206.10928	6.1
207.11754	13.4
207.13831	13.6
208.12440	7.8
208.14636	8.8
209.13280	24.1
210.13974	3.8
211.11314	6.6
211.14839	17.8
212.15482	3.2
213.12740	8.5
213.16411	5.2
215.14345	6.1
217.15886	3.8
219.11731	7.8
219.13873	7.5
220.12469	5.7
221.13277	16.0
221.15341	88.1
222.13876	4.9
222.15794	12.2
223.11185	4.2
223.14836	16.6
224.15582	3.9
225.12799	6.4
225.16426	6.9
227.14316	5.4
227.18001	5.1
228.15327	3.0
229.15880	6.4
231.13840	3.9
232.12416	4.1
233.13255	8.8
233.15393	5.0
234.14180	3.3
234.16191	20.5
235.14838	12.7
237.12775	7.2
237.16426	10.4
239.14351	3.8
239.17984	7.3
241.15868	6.8
247.14851	6.8
247.17012	17.4
249.16391	8.3
251.14226	3.5
251.18073	8.0
253.16003	4.2
259.17035	5.4
261.16312	3.9
263.18082	5.0
267.17303	4.3
269.13263	3.4
271.17114	4.6
274.19339	7.2
275.17957	3.8
281.19031	4.0
283.26489	3.9
285.18677	7.6
286.19275	12.0
287.20059	10.7
293.19119	3.2
297.18539	5.9
298.19470	4.0
299.20236	14.9
300.20917	6.2
311.20105	5.9
312.20862	9.1
313.21521	10.0
316.14771	3.5
325.21655	9.2
337.21579	6.6
339.23074	5.4
340.24121	6.3
352.24008	36.3
353.24734	4.4
365.24973	10.3
419.29706	6.9
425.26599	3.5
427.28693	3.8
440.29434	22.5
507.34698	5.2
508.35223	7.2
520.35547	33.8
585.39612	7.0
600.41138	26.6
600.56329	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	600.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	9.8
57.07068	12.6
59.05000	3.7
65.81089	2.9
67.05513	17.1
69.03432	7.1
69.07075	7.1
71.40025	4.6
75.42521	2.8
79.05492	12.5
81.07068	21.7
83.04993	6.0
83.08624	3.1
85.06538	6.2
89.06020	4.2
91.05493	28.0
93.07050	34.7
95.04973	12.3
95.08616	23.4
97.06526	7.8
103.05536	3.6
105.07046	50.1
107.04931	3.5
107.08605	24.7
109.06517	10.8
109.10141	9.2
111.08102	5.0
117.07025	10.2
119.08592	54.1
121.06526	8.4
121.10155	25.1
123.08047	18.1
125.05998	6.9
128.06209	5.1
129.07031	6.7
130.07773	4.8
131.08563	22.4
133.06464	5.9
133.08641	7.0
133.10127	21.3
135.08049	16.8
135.11682	7.4
136.03346	2.8
137.09621	14.5
141.06967	6.6
142.07774	15.4
143.08589	19.2
144.09264	4.7
145.10144	37.4
147.08029	23.4
147.11702	9.0
149.09619	10.5
151.07532	11.8
153.06995	3.2
155.08574	11.1
156.09341	7.0
157.10147	34.5
158.10866	4.5
159.08064	7.7
159.11678	24.0
161.09619	11.8
161.13242	6.4
163.11198	12.7
165.07011	3.6
165.09108	48.4
166.09412	5.8
167.08626	6.6
168.09360	3.9
169.10112	11.9
170.10870	4.0
171.11720	17.3
173.09653	9.3
173.13280	8.7
175.11111	15.0
178.09866	3.9
180.11385	3.7
181.10150	8.2
181.12228	13.7
182.10802	4.1
183.11755	15.8
184.12386	4.1
185.09709	3.2
185.13280	12.3
187.11159	4.3
189.12852	5.6
190.13467	7.1
191.10684	6.0
193.10124	7.1
193.12248	12.8
194.10863	4.5
195.11685	13.2
196.12398	6.0
197.13263	10.1
198.13853	3.8
199.11314	6.9
201.12712	4.0
203.14311	22.3
204.14580	4.6
207.11972	4.9
207.13841	12.9
208.14552	8.4
209.13242	8.6
209.15346	4.5
211.14818	8.5
213.12782	6.1
215.14319	3.1
219.11789	5.7
219.13870	5.7
221.13310	7.3
221.15379	100.0
222.15685	17.8
225.12787	3.6
225.16373	4.7
227.14296	3.4
229.12320	4.6
231.13846	4.9
233.15382	5.1
234.16174	19.3
235.14883	4.2
239.14317	3.9
247.16928	22.5
248.17503	4.5
259.17084	4.6
274.19354	7.0
286.19196	5.6
287.19955	11.9
299.19943	10.9
300.20609	4.4
311.20401	3.6
312.20813	7.2
313.21539	4.9
325.21597	11.7
337.21729	6.0
339.23239	6.7
340.23932	6.4
352.23996	32.4
365.24655	10.5
366.25769	3.6
391.26294	5.7
393.91498	3.5
413.27194	4.2
419.29456	7.4
420.30106	4.1
425.26987	5.7
427.28488	12.7
440.29108	24.3
442.30869	3.4
508.35339	14.9
520.35437	35.1
600.41565	56.5
628.18402	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	600.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.2
55.01865	2.1
55.05510	6.0
57.07088	12.1
59.04994	5.0
62.78224	2.0
64.32864	1.8
65.03919	2.6
67.05511	12.0
69.03434	9.6
69.07069	8.2
79.05505	15.0
81.03390	2.0
81.07063	22.8
83.04981	7.4
85.06549	6.9
89.06030	4.9
91.05488	25.9
92.05782	2.7
93.07050	37.1
95.04983	9.4
95.08610	19.2
97.06558	5.2
103.05459	2.7
105.07044	49.3
106.07929	2.2
107.04936	2.5
107.08601	25.7
109.06544	13.3
109.10157	9.5
117.07014	14.2
119.08595	54.7
120.07797	2.0
120.08775	2.5
121.06496	5.8
121.10165	19.3
123.08095	18.9
125.06006	12.7
128.06198	4.9
129.06975	9.9
130.07820	3.3
131.08589	26.6
132.09332	2.9
133.06465	6.4
133.10132	25.2
134.10925	1.9
135.08078	18.3
135.11703	6.3
137.06064	2.3
137.09636	17.9
139.07491	2.3
141.07022	4.4
142.07817	13.1
143.08572	24.1
144.09323	5.8
145.10136	38.6
145.78720	2.0
147.08046	30.0
147.11691	8.6
148.08444	3.6
149.09624	11.3
151.07538	13.9
155.08585	12.3
156.09373	10.8
157.10144	32.3
158.10829	6.8
159.08119	6.2
159.11694	23.9
160.12437	2.0
161.09709	11.1
161.13219	5.6
162.10349	2.0
163.11197	16.3
165.06972	3.3
165.09135	54.0
166.07663	2.2
166.09451	6.2
167.08583	3.1
168.09280	4.8
169.10100	14.7
170.10825	6.6
171.08109	2.2
171.11714	15.5
172.12315	3.6
173.09633	13.2
173.13261	7.5
175.11206	20.8
177.09137	3.2
177.12793	2.2
178.09734	2.7
179.08601	6.3
179.10551	2.2
180.11435	2.9
181.10127	8.2
181.12254	23.2
182.10928	6.9
183.08011	2.4
183.11670	12.4
184.12416	3.6
185.13255	10.0
186.10405	2.2
187.11067	3.9
187.14748	2.5
189.12766	9.7
190.13503	6.4
191.10687	5.5
193.10295	3.9
193.12227	14.3
194.10864	3.8
195.11674	11.6
196.12305	3.8
197.13277	13.1
199.11153	6.7
199.14946	2.7
201.12761	7.2
203.14333	21.1
204.14719	3.0
207.11848	4.0
207.13809	12.2
208.12523	2.6
208.14568	6.9
209.13205	9.0
209.15141	3.0
210.14040	2.5
211.11205	4.5
211.14827	7.5
212.11670	2.2
213.12747	3.2
215.14328	4.2
219.13820	8.6
221.13368	6.2
221.15375	100.0
222.15706	16.1
223.14848	4.8
225.12685	4.1
225.16278	3.8
227.14322	2.8
229.15904	3.8
231.13893	2.7
233.13182	3.0
233.15288	4.6
234.16156	19.8
235.14726	4.4
237.12772	4.9
237.16319	3.8
239.14204	3.4
239.17917	3.2
241.15886	4.0
247.14713	2.0
247.16980	33.3
248.17532	3.2
251.14301	3.7
253.15747	2.6
259.17026	3.1
264.23651	2.7
265.15939	4.1
267.17380	3.0
269.19034	3.8
271.16922	3.7
274.19315	15.5
279.17603	3.7
281.18985	2.6
286.19354	4.2
287.20221	10.2
297.18576	3.7
298.19046	2.7
299.20105	17.4
300.20737	4.9
311.20135	6.1
312.20789	10.6
313.21552	6.0
325.21661	14.0
337.21585	4.6
339.23129	6.2
340.24026	17.2
352.24011	26.0
365.24615	5.4
366.25586	3.6
377.24677	2.7
379.26068	2.9
386.95355	2.1
387.25089	3.5
388.33972	2.1
391.26324	4.0
392.26892	4.2
413.26855	3.1
419.29147	9.5
420.29999	5.3
425.26846	7.8
426.27634	4.9
427.28522	14.8
428.28687	2.6
440.29230	49.0
442.30704	4.3
454.30133	2.9
508.35312	8.1
520.35535	28.0
521.36273	2.9
529.32581	2.0
600.41498	43.3
601.41992	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	600.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	3.7
53.03952	4.8
55.05505	15.0
57.07094	21.3
59.04998	6.4
67.05517	33.0
69.03432	17.8
69.07058	13.6
69.53491	6.4
69.53821	28.3
79.05497	33.8
81.07068	32.5
83.04971	16.4
83.08615	6.7
85.06551	11.4
87.04462	5.9
89.06029	13.3
91.05473	44.9
93.07049	58.7
95.04958	18.2
95.08617	39.2
95.60732	4.0
97.06523	15.2
105.07038	97.3
107.08608	52.6
109.06536	23.3
109.10194	22.7
111.08101	6.7
117.07042	25.7
119.08589	97.5
121.06535	14.6
121.10143	37.2
123.08086	38.5
123.11767	4.5
125.05966	11.0
125.09653	4.5
128.06219	14.1
129.07053	26.5
130.07710	9.2
131.08594	53.0
132.08997	3.8
133.06490	9.5
133.08604	8.5
133.10129	41.7
135.08017	21.6
135.11684	15.3
137.09605	25.0
139.11154	5.0
141.07004	13.4
142.07793	24.8
142.08669	4.0
143.08578	43.6
144.09344	9.2
145.06430	5.7
145.10144	74.6
146.10600	7.5
147.08054	43.9
147.11667	18.8
149.09636	19.0
151.07552	21.5
152.68155	4.3
153.06940	4.3
154.07819	5.5
155.08568	18.8
155.10703	10.4
156.09341	25.6
157.10153	77.3
158.10864	12.7
159.08080	12.4
159.11710	43.2
160.08871	4.8
161.09599	21.3
161.13275	12.4
162.85152	3.9
163.11209	25.2
165.07028	10.9
165.09128	54.6
166.09334	5.4
167.08594	8.3
167.10675	4.6
167.70081	3.8
168.09326	12.4
169.10146	32.0
170.10823	17.6
171.08066	8.6
171.11674	42.0
172.12398	8.0
173.09636	18.0
173.13307	24.2
175.11209	39.5
177.09140	5.7
177.12773	5.8
178.09906	5.4
179.08505	8.2
180.11438	5.5
181.10117	25.3
181.12247	21.4
182.10854	12.7
183.11717	31.3
184.12297	5.6
185.09624	9.1
185.13220	23.2
187.11157	6.9
188.11850	6.1
189.12726	13.4
190.13503	7.0
192.09264	4.4
193.10147	11.3
193.12241	16.1
194.10974	9.3
195.11684	25.3
195.13670	4.5
196.12402	11.9
197.13219	31.7
198.10403	6.4
198.13628	7.1
199.11201	8.8
199.14854	8.4
201.12770	10.7
203.14279	24.3
206.10936	7.2
207.11646	12.6
207.13843	15.4
208.12354	7.2
208.14470	9.0
209.13358	24.9
209.15083	5.6
210.13742	4.7
211.11134	7.9
211.14821	15.6
213.12798	4.5
219.11777	9.2
219.13835	10.0
221.13326	12.1
221.15372	100.0
222.15701	12.0
223.11179	4.9
223.14804	11.6
225.12743	7.8
225.16376	4.7
227.14404	5.1
233.13226	4.6
233.15393	5.8
234.13927	7.5
234.16093	32.0
235.14854	11.4
236.15553	7.7
237.12823	9.4
237.16449	5.2
239.14337	7.3
241.12343	4.6
247.14734	5.1
247.16988	18.1
248.17650	7.6
249.16342	9.3
251.17899	8.7
255.17320	4.9
259.16907	5.9
261.18600	5.9
262.19159	4.8
269.19009	4.6
274.19339	10.6
277.19403	6.6
281.18942	8.1
287.20065	13.9
297.18524	5.2
299.20123	15.2
300.20688	5.9
312.20877	10.9
313.21677	8.0
325.21634	15.5
326.22461	7.1
337.21606	16.5
345.36880	5.2
352.19955	6.9
352.24008	92.2
365.24829	19.4
391.26245	5.8
417.28430	4.5
427.28223	4.5
440.29276	13.1
481.44006	4.4
505.33710	6.3
507.34805	19.9
508.35217	48.1
520.35516	99.2
585.39728	5.0
600.41248	76.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65382	2.7
53.03948	4.7
55.05507	16.8
57.07082	22.1
58.15042	2.6
59.05000	3.1
67.05506	24.1
69.03432	14.7
69.07070	11.2
69.69706	8.0
69.70116	9.1
71.04991	3.6
79.05493	30.5
81.07056	34.0
82.04156	2.7
82.07399	3.5
83.04987	9.3
83.08622	10.9
83.95647	2.4
85.06561	13.7
89.06039	11.8
91.05488	51.5
93.07047	58.6
95.04974	18.5
95.08611	31.1
97.06534	11.4
99.03787	3.1
103.05414	5.0
105.07039	91.0
106.07855	4.9
107.04945	3.7
107.08591	50.1
109.06525	22.5
109.10173	22.1
111.08093	3.7
115.05460	7.1
116.06295	2.9
117.07021	26.5
119.08585	82.8
120.09418	5.9
121.06529	15.4
121.10154	40.1
122.07294	5.1
123.08084	33.7
123.11669	4.7
125.05988	11.0
125.09645	9.6
128.06230	9.9
129.07034	28.9
131.08577	44.6
133.06471	7.8
133.08621	5.8
133.10138	40.8
134.10521	3.0
135.08066	24.7
135.11702	12.8
135.49356	3.0
137.09642	19.4
139.07532	4.2
139.11269	4.0
141.06992	8.9
142.07819	26.4
143.08560	50.4
144.09338	12.5
145.06459	6.6
145.10126	82.6
146.10483	2.9
147.08049	41.8
147.11688	16.3
149.09607	21.4
151.07565	17.0
151.11197	5.0
155.08597	21.1
155.10669	8.4
156.09337	23.6
157.10143	80.4
158.10907	16.5
159.08067	11.5
159.11690	47.5
160.08842	6.1
160.12239	3.7
161.09628	16.9
161.13268	9.0
163.11186	24.4
165.07034	5.1
165.09113	54.9
167.08566	8.3
168.09338	8.1
169.10097	29.3
170.11021	13.9
171.11694	46.7
172.12494	8.9
173.09608	14.2
173.13266	19.9
175.11198	35.3
175.14775	4.3
177.09096	5.7
177.12750	4.3
179.08542	8.1
179.10513	3.4
179.14285	2.8
180.09331	7.5
181.10127	18.4
181.12187	19.3
182.10893	10.4
183.11681	25.7
184.12354	9.6
185.09624	7.2
185.13258	24.0
187.11217	10.6
187.14795	9.0
189.12721	15.6
190.13564	11.9
191.10641	4.3
193.10150	8.9
193.12268	18.1
194.10921	11.6
195.11708	29.3
195.13593	5.6
196.12424	8.3
197.09636	4.9
197.13234	23.7
198.10445	3.3
198.13853	3.3
199.11237	8.1
199.14743	5.0
201.12784	10.0
203.14326	23.3
205.10178	3.7
206.10986	4.6
207.11720	15.1
207.13852	14.9
208.12526	5.3
208.14531	13.6
209.09645	3.1
209.13278	22.7
210.13841	5.5
211.11267	5.8
211.14854	13.5
213.12759	10.1
213.16432	4.4
214.86525	2.9
215.14261	5.4
216.14960	2.9
217.12318	2.9
219.11795	6.6
219.13838	14.3
220.03793	3.1
220.12437	5.5
221.13322	11.8
221.15361	100.0
222.15738	8.0
223.11177	3.1
223.14804	14.4
225.12764	8.9
225.16396	6.5
227.14322	6.7
229.15868	3.6
231.11705	3.6
232.12411	4.3
233.13368	7.0
233.15343	6.6
234.14035	4.1
234.16153	26.1
235.14850	15.0
237.12692	8.7
237.16409	11.3
239.14308	4.7
239.17874	3.8
241.15887	8.2
243.11516	3.0
245.13130	4.7
247.14778	5.1
247.16951	22.2
248.15419	3.5
248.17648	3.4
249.16550	6.2
251.14293	6.7
253.15869	7.7
255.17448	5.7
259.16998	6.4
261.16312	4.8
262.19391	4.8
263.14395	3.6
263.18008	5.9
265.15747	3.7
267.17471	4.7
269.15341	3.5
269.19220	3.8
271.16895	6.4
273.18536	4.3
274.19308	13.4
274.50259	3.3
277.16107	3.3
277.19525	5.3
279.17609	2.9
281.18994	6.4
285.18661	6.8
286.19342	10.5
287.20081	12.9
291.17627	3.6
291.21072	3.2
295.17410	4.0
299.20212	14.5
300.20856	6.2
310.19489	4.5
311.19949	7.2
312.20825	7.3
313.21838	6.6
319.20566	4.7
325.21753	21.3
326.22458	6.0
337.21606	9.1
340.23987	6.8
351.22946	3.1
352.23993	93.6
353.24387	6.8
365.24698	22.6
377.24991	4.1
378.25107	3.3
391.26224	5.3
420.30203	4.9
425.27158	2.9
427.28452	3.6
440.29202	8.2
492.36102	3.3
505.33408	5.0
507.34698	25.7
508.35141	34.0
520.27667	5.1
520.35504	94.9
521.35828	4.2
582.40021	3.5
585.39923	4.1
600.41431	65.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.8
53.03955	2.3
55.05513	20.6
57.03448	4.7
57.07057	4.2
65.03920	3.4
67.05508	62.4
69.06741	1.3
69.07072	19.4
71.05002	1.2
71.08553	2.0
73.30042	1.1
79.05499	35.5
79.99519	1.0
81.07062	72.4
83.04978	2.9
83.08626	10.6
85.06512	3.1
91.05483	25.5
93.07051	43.9
94.25499	1.0
95.04958	3.3
95.08612	58.8
96.08874	1.1
97.06524	3.3
97.10192	5.7
99.08070	2.3
105.07037	29.3
107.07899	1.3
107.08601	26.7
109.06557	1.7
109.10160	28.6
111.08057	1.7
111.11709	2.0
117.07019	11.0
119.08589	28.4
121.09355	1.6
121.10156	23.6
123.11716	13.8
125.09601	2.0
128.06175	1.4
129.06992	4.2
131.08574	18.6
131.83430	1.1
133.10135	20.4
135.11682	14.4
137.13254	3.6
139.11159	1.1
142.07715	1.0
143.08607	4.9
145.10129	19.1
147.11691	18.7
149.13258	9.3
151.14821	2.5
155.08578	2.4
157.10167	6.7
159.11702	18.2
161.13249	10.1
162.77521	1.0
163.11211	1.2
163.14825	5.0
169.10057	1.4
171.11736	7.1
173.13251	10.7
175.14845	6.9
177.16351	1.8
181.10046	1.3
183.11700	2.3
185.13290	5.0
187.14835	7.9
188.91394	1.1
189.16312	3.4
195.11784	1.2
197.13217	2.3
199.14777	3.9
201.16388	3.8
202.84735	1.0
203.17981	2.4
211.14857	1.6
213.16429	2.5
215.17995	2.1
217.19510	1.6
225.16438	1.1
227.17905	2.6
228.48077	1.0
229.19469	2.2
231.21045	1.4
241.19598	1.8
243.21130	1.5
245.18965	3.4
247.20598	5.0
259.20557	6.4
261.22168	8.5
263.23666	2.9
273.22141	2.3
281.20984	1.3
285.22168	1.3
287.23633	2.0
299.23688	1.4
303.23282	1.4
309.24380	1.4
311.23392	1.7
319.22659	2.3
321.24228	8.9
323.25754	5.2
327.26813	1.5
329.28436	1.3
333.24213	4.2
335.25879	7.2
337.27353	3.9
369.31613	1.2
381.31696	1.4
475.33725	1.4
489.35184	1.6
499.62845	1.1
503.37085	2.2
504.32370	1.1
507.41867	7.3
525.42914	4.5
529.38977	1.9
581.45679	13.0
599.46552	100.0
600.46655	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.7
55.01865	2.1
55.05513	4.3
57.98792	0.9
58.99593	18.2
62.01564	0.5
65.03930	0.8
67.05180	0.8
67.05509	8.0
67.64600	0.5
69.03415	1.8
69.07078	5.4
70.06583	1.5
71.48817	1.2
72.08160	0.9
76.02232	79.5
76.03987	2.5
79.05501	5.7
80.05016	1.0
81.03365	0.7
81.07063	12.4
83.04983	1.5
83.06094	1.6
83.08612	2.0
84.04506	13.4
85.06544	1.0
86.99046	3.5
88.02215	1.8
91.05486	7.5
93.07048	8.7
95.04980	2.6
95.08605	9.0
97.06500	0.8
97.10172	2.8
99.05560	1.2
99.08086	0.7
102.05505	1.0
105.07034	10.3
107.04957	2.3
107.08585	7.6
109.06527	3.6
109.10150	3.3
111.08059	0.9
114.03760	1.0
116.01682	24.3
117.07029	2.6
119.08577	6.2
120.08097	0.6
121.06514	4.9
121.10139	2.7
123.08064	1.8
123.11761	0.7
125.09615	3.2
127.03834	0.7
129.06613	1.9
130.05014	7.0
131.08565	5.5
133.06494	1.1
133.10124	7.1
135.08034	2.1
135.11702	1.8
142.03236	5.7
143.08537	1.3
144.01152	12.3
145.06174	1.4
145.10138	4.8
147.08022	1.6
147.11688	4.9
149.09596	2.0
151.11131	1.2
153.09167	0.7
155.08554	1.1
155.63892	0.7
157.10106	1.2
159.11649	3.7
161.09619	2.0
161.13217	1.5
162.02216	42.0
163.11180	2.4
170.02750	2.7
171.11682	1.2
173.09677	0.8
173.13277	2.6
175.11189	1.5
179.04863	100.0
183.11673	1.0
187.05405	2.1
187.11206	0.7
189.11217	1.4
191.14354	0.7
201.12819	1.2
207.13812	2.5
215.04947	1.4
215.17958	0.7
219.13817	1.5
227.04860	0.7
229.19569	1.0
231.17358	0.7
233.05922	13.8
233.08107	1.2
237.06657	0.7
245.05914	3.5
247.20653	0.9
257.18985	3.3
273.18542	4.5
275.20081	32.7
291.06631	2.1
291.19571	2.7
293.17844	1.0
293.21133	19.3
308.09113	27.3
368.22522	9.4
394.13733	0.8
412.95404	0.7
453.24219	5.5
471.25278	1.6
525.26270	3.7
582.28113	2.0
600.29559	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	599.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	4.1
69.07037	3.6
70.60887	5.1
79.05472	2.7
81.03453	1.8
81.07041	2.8
91.05481	4.9
93.07037	5.2
95.08610	3.1
105.07007	4.3
107.08600	3.4
109.10159	2.1
119.08602	4.9
121.10162	4.7
122.03646	4.1
127.11288	2.1
131.08559	2.4
133.10164	2.5
137.05977	100.0
143.08495	2.7
144.44890	2.0
147.11697	2.3
151.91469	1.6
156.34491	1.8
157.10127	2.0
159.08044	2.5
159.11694	3.2
167.10686	6.4
182.15352	2.6
183.11694	1.8
185.13065	2.1
209.13210	1.8
221.15366	3.1
233.15396	4.1
269.00305	1.8
306.20541	2.4
349.03363	2.5
525.11621	11.3
543.12915	4.4
581.39294	3.8
599.40710	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	599.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.0
55.01861	1.5
55.05512	27.1
55.37434	1.2
57.03445	8.6
57.07055	6.3
57.64628	1.4
60.57562	1.3
62.21988	1.3
65.03925	4.6
67.05508	80.2
69.06743	2.2
69.07070	29.7
69.67420	1.3
71.04971	2.5
71.08592	1.4
71.20027	2.7
77.03929	1.7
79.05495	42.0
81.07056	89.8
83.04973	2.1
83.08620	16.7
85.06507	3.2
88.70628	1.5
91.05483	37.4
93.07047	55.9
93.07637	2.9
95.04953	4.1
95.08609	74.1
97.06512	5.3
97.10165	8.1
99.08087	1.7
103.05479	1.6
103.26955	1.6
105.07036	38.4
107.08602	36.8
109.06522	2.3
109.09499	2.5
109.10161	34.8
111.08044	3.4
113.09631	1.7
117.07012	11.7
119.08582	35.2
121.10145	27.1
123.11710	13.9
125.09591	1.7
129.06966	4.0
131.08560	23.5
133.10126	25.9
135.11694	20.9
135.35318	1.3
137.13200	5.8
139.11189	1.9
141.06940	1.8
143.08563	12.2
144.09293	1.5
145.09053	2.3
145.10120	27.8
147.10634	2.2
147.11687	19.2
149.09538	2.2
149.13251	11.2
151.11174	2.4
151.14851	1.5
155.08530	2.6
157.10115	8.7
159.11725	16.4
161.13213	11.5
163.11208	1.4
163.14806	5.9
169.10165	1.9
171.10329	1.6
171.11659	10.1
173.13275	12.9
175.14853	8.1
177.16260	1.9
183.11690	3.5
185.13248	7.5
187.14781	5.7
189.16357	4.0
191.17952	2.3
197.13249	2.5
199.14771	5.3
201.16347	4.3
203.17924	2.4
213.16426	2.1
215.17793	2.8
217.15855	1.5
217.19608	1.7
227.17957	2.6
229.19513	2.0
241.19633	2.1
243.21103	1.9
245.18922	4.6
245.22510	1.7
247.20444	4.1
255.81439	1.3
259.20486	6.0
261.22089	6.4
263.23550	4.7
273.22186	1.5
285.22058	2.4
287.23520	1.7
299.23511	1.9
313.25217	2.4
317.24609	2.3
319.22580	2.9
321.24139	7.9
323.25659	5.8
333.24197	3.0
335.25888	6.6
337.27390	3.6
341.28351	1.6
489.35706	2.4
503.37048	2.3
507.41666	5.7
525.42621	4.3
543.39490	1.7
581.37994	2.1
581.45679	17.3
599.46515	100.0
600.46667	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2503
Annotation	Mg-Protoporphyrin IX 13-monomethyl ester
Peak:m/z	Relative Intensity
69.07053	0.9
69.28146	4.6
73.25270	0.6
79.05501	1.6
81.07069	1.2
91.05497	2.3
93.07049	2.5
95.04993	0.8
95.08616	1.6
105.07047	2.0
107.08614	2.0
117.07031	0.8
119.08609	2.3
121.06577	0.6
121.10178	4.2
123.08075	1.1
131.08603	1.3
133.10156	1.5
135.07967	0.8
137.09576	0.7
143.08614	0.8
145.10155	1.9
146.06050	0.6
146.09612	0.6
147.08086	0.8
147.11671	0.6
149.09735	1.1
155.08514	0.6
157.10196	1.1
159.08073	0.8
159.11723	0.9
165.09143	1.6
167.10672	3.9
169.10114	0.6
171.11705	1.1
173.13342	0.7
181.10181	0.7
185.13324	0.7
203.89243	0.5
209.10858	0.7
209.13341	0.7
221.10915	0.7
221.15355	2.9
222.11514	0.6
223.12341	1.6
224.13055	0.8
225.13931	1.3
233.15381	2.7
234.98541	0.5
235.12361	0.8
237.13972	1.4
238.14693	0.7
239.15546	0.9
261.14087	0.9
262.13898	0.7
275.15588	0.6
304.14572	0.7
324.15231	0.6
326.16602	0.7
338.16290	0.7
351.16577	0.9
352.17188	0.7
363.16193	1.0
364.17371	1.2
365.17676	0.8
366.19333	1.1
367.19250	0.7
372.17099	0.6
375.16498	0.6
377.17734	1.6
378.18823	1.2
379.19452	1.7
380.20834	0.8
383.22818	0.6
391.15240	0.9
393.20840	2.4
394.18109	0.8
395.18674	0.9
405.16858	0.9
406.18314	0.9
407.18488	1.8
407.23029	4.1
409.20517	3.3
410.17422	0.8
419.18469	0.8
420.19550	1.2
421.19897	5.2
422.21182	1.0
423.22360	3.4
424.18817	1.0
425.19485	2.8
427.21384	0.7
432.19336	0.7
433.20651	1.4
434.21762	1.1
435.22937	3.8
436.22961	3.1
437.24161	3.6
439.21222	5.6
440.22107	1.0
445.20084	0.8
447.21899	2.4
449.19797	3.5
449.24304	1.8
450.18246	2.3
450.24350	2.2
451.21762	1.4
452.22046	1.1
453.22855	1.5
454.23505	1.2
455.20697	1.0
459.21765	0.8
460.22430	1.7
463.21161	3.8
463.25729	2.8
464.21747	1.2
465.22928	2.0
466.23853	1.6
467.21198	1.2
470.23010	0.9
473.23404	1.3
475.20728	5.5
477.23151	1.7
479.21140	0.8
480.21179	0.8
481.26135	2.2
491.24301	4.0
493.26624	1.3
494.23315	1.2
495.24280	1.1
497.21915	1.6
498.22754	1.6
507.35446	0.8
509.25632	10.6
510.26169	1.2
511.27161	1.1
512.24176	3.4
519.24030	1.7
525.21069	0.8
527.26624	26.2
528.26752	1.2
536.24194	1.2
537.24994	17.2
538.22638	8.1
539.23145	2.3
540.23468	0.7
553.24500	1.7
555.26080	19.1
563.23035	1.9
581.24091	6.4
581.39880	1.1
599.25067	100.0
599.40845	3.3
600.25549	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	599.2503
Annotation	Mg-Protoporphyrin IX 13-monomethyl ester
Peak:m/z	Relative Intensity
57.07043	0.7
79.75491	0.8
81.79843	1.0
91.05490	1.0
93.07047	1.5
98.21526	1.6
159.11786	0.7
221.10713	1.5
221.15407	1.0
222.11565	1.2
223.12419	1.8
225.14128	0.7
233.10666	0.9
237.13939	2.3
238.14746	1.4
249.10457	1.0
249.13829	2.2
251.11803	1.8
251.15573	2.6
261.14014	1.3
263.11902	1.3
264.12665	1.0
279.14990	3.2
297.06650	0.8
314.16602	1.5
323.06577	0.8
324.15060	1.8
325.14542	1.1
326.16293	1.2
328.18100	1.4
329.18979	1.4
330.19763	1.5
337.15491	1.6
338.15726	1.0
339.16116	5.8
340.17429	3.5
349.14810	0.9
350.16638	2.1
351.16327	1.6
352.17725	2.6
353.17819	5.6
354.18536	7.4
355.19412	0.8
358.19113	2.1
363.16113	2.3
364.17169	2.6
365.17590	2.8
366.18732	2.4
367.15402	1.5
367.19467	2.9
368.20114	2.0
369.20813	22.7
377.17764	1.7
378.19241	1.3
379.15076	1.3
379.19293	10.7
380.20081	2.0
381.17053	2.7
381.21481	1.5
382.17932	3.0
385.18048	0.9
386.19049	0.9
389.17950	1.0
391.19345	2.3
393.21213	1.7
395.18533	1.6
395.22958	1.3
397.20245	9.6
400.20456	1.3
407.18625	1.3
408.19135	1.3
409.20261	2.8
410.18256	1.7
412.20465	1.0
419.18600	2.4
423.21777	3.2
424.22873	0.9
425.19708	24.9
426.21042	1.1
433.20462	1.5
437.19958	3.7
438.21060	0.9
439.21451	1.3
440.22595	1.6
441.22949	3.7
444.23083	1.5
448.18802	0.9
451.21414	17.6
452.22366	3.9
453.19019	4.7
455.24927	3.6
456.25787	5.4
461.19785	2.2
462.20486	4.4
464.18835	0.8
465.23306	1.5
467.24442	2.7
468.22031	2.3
469.22192	2.1
479.20740	1.1
480.21341	1.4
483.24014	3.3
484.24768	7.5
489.19473	1.8
493.22449	1.7
495.23685	2.4
497.22025	2.8
510.22552	1.2
511.23553	7.4
512.24219	52.8
513.24365	1.2
521.21899	5.1
539.22919	52.1
540.23260	2.4
555.25262	1.0
567.22516	0.9
571.25470	1.0
582.22314	4.1
599.25043	100.0
600.25262	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	599.2501
Annotation	Mg-Protoporphyrin IX 13-monomethyl ester
Peak:m/z	Relative Intensity
52.44282	0.9
55.05516	2.0
63.99995	0.9
67.05509	2.2
69.03440	1.2
69.07069	2.1
72.56205	0.8
74.32497	0.9
79.05492	3.0
81.07056	3.1
91.05477	2.8
92.61337	0.9
93.07057	6.0
95.04998	1.8
95.08618	2.7
98.21526	2.2
105.07019	5.1
107.08603	3.0
109.10138	1.0
117.06970	1.0
119.08591	4.1
121.06498	1.1
121.10149	6.9
121.22543	1.0
123.08057	2.7
131.08592	2.0
133.10136	2.3
142.07843	1.2
143.08527	2.6
145.10161	3.8
147.08057	1.7
149.09656	2.2
151.07608	2.0
155.08635	1.1
157.10164	3.4
159.11729	1.0
163.11201	1.1
165.09116	1.6
167.10695	10.7
169.10143	1.4
171.11760	1.7
181.12357	1.1
183.11732	1.7
193.10222	1.2
195.11771	1.6
203.14313	1.1
208.11748	1.0
221.15434	4.1
223.12486	1.4
223.14822	1.1
224.13197	1.1
225.13942	2.0
233.15388	2.0
235.12427	1.5
235.14685	0.9
237.13910	2.1
238.14742	1.9
239.15588	1.4
251.04616	1.0
251.15630	1.4
253.16943	1.2
261.13898	2.2
263.15427	1.0
293.19583	1.0
299.20056	1.1
352.18048	1.0
363.16431	1.2
365.17969	1.4
366.19287	1.2
367.19504	1.4
376.17685	1.2
377.17783	3.0
379.19601	1.5
381.20929	1.2
392.20016	1.3
393.21051	2.4
394.17856	1.5
395.18753	2.2
395.94299	1.0
405.21121	1.1
406.17990	1.6
407.18661	2.8
407.23099	1.7
408.19946	1.8
409.20392	2.5
421.19818	4.6
422.20923	1.1
423.22098	2.3
424.18820	1.9
424.47708	1.2
425.20084	3.2
433.16470	1.3
435.17786	3.4
435.22385	3.1
436.22641	2.8
437.19095	1.3
437.24139	1.8
438.20676	1.8
439.21277	5.6
447.21729	4.2
448.18649	1.7
449.19827	5.3
450.18454	1.2
450.24429	1.7
451.21622	2.3
453.22913	1.7
462.20279	1.4
463.20377	7.0
464.22076	1.5
465.23264	2.5
467.20557	1.6
468.21378	1.4
475.20972	13.0
477.22885	1.2
479.20767	1.4
480.21600	1.8
483.24191	1.5
491.24536	3.3
493.26648	1.6
496.21039	1.3
498.22919	1.9
500.24265	2.0
508.20761	1.4
509.25699	11.4
511.23190	2.6
512.24188	2.4
515.26636	3.3
519.23883	1.6
526.21674	1.6
527.26660	16.4
535.22968	1.4
536.23615	1.7
537.25049	28.3
538.23358	1.7
539.23175	3.1
553.24408	7.5
555.26294	6.6
563.23358	2.1
571.25403	11.0
581.23883	15.7
581.38892	1.7
599.25012	100.0
599.40826	7.1
600.25214	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	599.2504
Annotation	Mg-Protoporphyrin IX 13-monomethyl ester
Peak:m/z	Relative Intensity
52.91638	0.7
53.51638	0.7
55.01872	0.8
55.05505	3.0
57.07059	1.0
62.20877	0.6
67.05502	3.2
69.03436	1.9
69.07059	2.4
71.49280	1.3
79.05495	3.3
81.07065	4.7
83.04982	0.9
83.08617	1.8
85.06555	1.0
85.55898	0.7
89.50141	0.8
91.05494	4.9
93.07051	6.7
93.83852	0.7
95.04972	2.1
95.08610	3.5
97.06526	1.9
105.07031	6.0
107.08614	3.1
109.06496	0.9
109.10177	2.5
116.29361	0.7
117.07026	1.9
118.50100	0.7
118.88015	0.7
119.08575	5.4
120.08124	0.7
121.10138	7.2
123.08092	2.0
123.11729	1.2
125.06020	0.8
125.09705	0.8
130.06540	0.8
131.08583	2.4
132.08095	1.5
133.10155	3.3
135.08070	1.5
135.11703	1.7
137.09637	1.6
139.11220	1.1
141.07050	0.9
142.07784	1.6
143.08566	2.4
145.09129	0.9
145.10170	3.6
147.08098	2.0
149.09680	2.3
151.07629	2.1
155.08559	1.0
156.09419	2.0
157.10133	4.1
159.11755	2.8
161.13287	0.8
163.11134	1.0
165.09106	3.8
167.08601	1.2
167.10690	9.1
169.10170	1.7
171.11752	2.2
173.10870	1.0
180.09534	0.8
181.10182	1.1
181.12245	2.2
183.11778	2.7
185.13231	0.8
187.14899	1.6
193.10141	1.1
195.09296	0.9
195.13861	0.9
197.10844	1.5
197.13307	1.6
203.14348	1.5
207.13808	1.0
209.11113	0.8
209.13374	1.3
211.12424	0.8
211.14854	0.9
221.10881	1.3
221.13342	1.4
221.15361	7.2
223.12541	1.1
223.14925	1.2
233.15421	3.5
234.11299	0.9
235.12384	1.5
235.14771	1.0
236.13153	1.2
237.13921	1.7
243.11588	0.7
247.12315	0.8
249.14079	2.2
251.15463	1.0
274.13428	1.2
286.13553	1.4
290.16296	1.2
299.20117	1.4
302.16830	0.9
311.19904	1.0
313.21515	1.0
316.18387	0.9
318.16324	1.0
324.14780	1.2
333.13470	0.8
338.16064	1.5
339.16562	1.4
340.17972	1.2
342.19519	0.9
351.16385	2.8
352.17862	2.0
353.17862	3.6
354.19150	1.6
355.19373	0.9
363.16537	0.9
364.17401	0.9
365.17758	3.2
366.19089	2.8
367.19519	4.9
368.20486	1.2
369.21133	1.0
378.18994	1.6
379.19702	2.8
380.21136	1.2
381.16910	1.8
381.20941	5.9
382.17825	1.4
383.18500	1.9
383.22736	1.7
395.18445	1.6
395.22980	1.3
396.23840	1.4
397.20386	2.2
407.18353	0.9
409.20343	2.3
410.21292	1.6
411.17261	1.2
411.22440	5.3
421.20367	1.6
422.21393	1.9
423.21988	4.3
424.22864	2.3
425.19659	5.0
436.23013	1.0
437.18628	1.2
437.23465	3.7
438.20584	1.3
439.20493	4.2
440.22427	2.9
441.23459	1.1
453.22952	1.6
454.23761	2.2
455.20697	1.8
467.24976	2.6
469.18796	2.5
469.26065	2.9
481.22562	1.8
482.23322	1.0
483.20200	2.7
483.23907	8.4
485.25534	1.5
495.24155	1.5
497.22214	1.1
509.25751	1.0
511.23721	3.3
513.25018	12.9
527.26752	1.0
537.25330	0.9
538.22034	1.6
555.26093	15.6
556.23199	11.6
557.23987	100.0
558.24103	2.2
581.23816	1.2
581.40039	1.6
595.04205	1.0
599.25055	89.5
599.39636	11.2
600.25348	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	599.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.0
53.40544	0.7
55.01871	1.0
55.05509	2.1
58.72492	0.7
65.03940	1.0
67.05492	1.6
69.03081	1.0
69.03431	10.6
69.07060	1.5
70.06590	2.6
71.04984	0.8
72.08133	0.9
73.36588	0.6
77.03930	1.5
77.16365	0.7
79.05498	12.1
81.03420	5.4
81.07053	2.2
83.04995	4.2
85.02911	6.0
85.06528	0.7
86.09702	1.5
87.00847	3.2
87.93751	0.6
91.05478	4.0
93.07054	3.2
95.04967	2.3
95.08628	1.2
97.02904	5.1
97.06532	1.1
99.04448	2.7
103.05479	5.1
105.01868	2.4
105.04501	1.1
105.07030	8.9
107.04942	0.7
107.08598	6.4
109.02888	9.2
109.06494	1.8
109.10225	0.9
119.08598	5.1
120.08099	0.9
121.06499	4.4
121.10134	4.3
123.04391	0.9
123.08080	2.4
125.09621	1.6
127.03917	12.0
129.06990	1.1
131.08574	2.6
133.06499	100.0
133.10107	3.6
134.34410	0.6
135.08093	3.4
137.05978	2.0
143.08583	1.9
145.04980	2.7
145.06511	0.8
145.10129	1.5
147.02853	0.7
147.08029	3.2
147.11679	1.7
149.09648	1.6
149.13237	0.7
151.03949	1.0
151.07603	2.2
153.05368	0.7
156.09305	1.3
158.10907	1.8
159.02911	1.1
159.08038	1.5
159.11749	0.8
161.05994	1.0
161.09613	1.7
161.13327	1.3
163.11163	3.6
167.07095	0.7
168.91623	0.7
171.07979	0.7
171.11690	1.0
173.09738	0.7
173.13281	4.0
177.97981	0.7
189.12756	26.9
191.14313	28.5
207.13789	16.8
213.03989	1.7
229.12144	0.7
231.05011	4.0
241.13304	0.9
249.06079	1.5
267.11423	1.2
291.07257	1.0
297.15009	1.9
351.08759	1.5
351.21512	1.6
388.34821	0.8
395.78168	0.7
513.27002	1.4
555.28229	3.3
599.26422	7.3
599.36169	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.4531
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16504	4.4
54.07924	4.6
55.05507	18.2
56.20298	4.6
57.03429	4.5
57.07089	5.6
67.05511	71.9
69.07059	14.1
71.04993	14.5
74.36000	5.1
79.05498	40.4
81.07067	100.0
83.08623	8.4
85.06522	5.2
91.05490	27.5
93.07051	40.6
95.08600	24.0
98.21564	9.0
105.07014	14.1
107.08610	22.5
109.10167	7.8
117.07066	5.7
119.08608	14.1
121.10140	20.6
123.11689	8.4
131.08597	10.9
133.10124	10.9
135.11661	7.4
147.11627	8.0
149.13240	7.8
151.11168	5.1
164.42444	5.0
187.13301	6.4
211.83691	5.0
269.17563	6.2
269.80338	5.0
301.19998	9.7
311.29626	8.9
335.25735	19.8
503.37344	97.1
517.39142	6.4
561.41742	44.5
596.28717	9.4
596.47162	18.2
596.59369	16.9
621.21948	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	595.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82188	0.3
51.46846	0.3
52.48112	0.2
60.73938	0.2
67.05499	0.4
79.05500	0.7
81.07043	0.4
83.42785	0.2
87.64192	0.2
91.05479	0.2
92.37061	0.2
93.07042	0.5
93.14738	0.2
95.08600	0.4
95.56374	0.3
105.04437	0.2
105.07043	0.3
107.08683	0.3
121.10159	0.5
186.05569	0.5
221.10872	0.3
335.14188	0.3
349.14420	0.3
350.16107	0.4
351.16211	0.5
363.16241	1.1
364.17407	0.5
365.17767	0.6
366.18765	0.6
375.16122	1.0
376.17328	0.3
377.13370	0.4
377.17709	1.5
378.18713	0.9
379.15182	0.4
379.19467	1.9
381.20975	0.5
389.17926	0.5
390.14996	0.4
391.15387	0.7
391.19717	1.8
392.16013	0.3
392.20441	0.6
393.16415	0.4
393.21149	1.9
394.18002	0.4
403.19324	0.4
404.16306	0.4
405.16550	2.2
405.21045	0.8
406.17862	0.9
406.22391	0.4
407.18228	2.2
407.22659	1.0
408.20041	0.4
409.20193	0.7
419.18582	2.1
420.19681	1.9
421.20285	1.9
422.21628	1.5
431.19119	0.3
433.16455	1.4
433.20605	1.3
434.21042	1.1
435.18109	2.4
435.22424	1.3
437.19751	1.5
447.17471	1.3
448.18640	2.3
449.19632	3.9
450.21231	1.8
461.20169	0.5
462.20477	2.0
463.21298	1.8
465.18994	5.9
475.21072	0.8
476.18567	1.8
477.19098	0.5
479.20245	0.7
480.21375	1.5
481.22388	0.6
493.17831	0.2
493.22488	1.1
494.23260	0.3
496.24365	0.4
507.24423	3.1
508.20160	1.6
520.20703	0.3
521.21643	0.6
535.23450	8.3
536.24091	0.5
537.21692	0.4
539.26807	0.3
551.23334	0.3
552.23724	1.3
563.22552	1.4
567.26068	3.1
580.23053	0.4
595.25519	100.0
596.25867	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1661
Annotation	Isosaponarin
Peak:m/z	Relative Intensity
55.01867	3.0
57.03440	2.8
61.02906	3.3
69.03445	4.2
70.06590	18.3
71.15585	3.4
72.08157	7.6
75.74874	1.9
83.04985	2.4
84.04493	2.4
84.08147	4.8
85.02908	11.1
86.09698	4.9
89.02379	2.6
91.05472	4.5
97.02831	2.3
101.32481	1.9
107.04981	3.0
109.02889	4.4
110.07201	4.1
115.05430	6.5
119.04936	10.5
120.08136	5.0
121.02864	39.5
122.88924	2.0
127.03930	4.3
131.04930	8.7
132.08238	2.4
133.06340	2.0
133.08563	2.3
135.04378	4.5
136.07603	4.5
137.02341	2.8
143.04988	2.6
145.02858	5.7
147.04428	17.5
148.04779	7.2
149.66515	2.3
159.04440	6.6
160.03314	2.3
161.02359	2.7
161.06084	2.0
163.03900	11.2
164.04196	5.9
165.01836	5.4
167.07088	2.0
177.01888	4.5
179.03381	3.5
187.03938	23.1
187.12897	2.1
189.01845	7.1
191.03445	3.9
195.02902	4.5
203.03427	9.1
205.05031	5.1
207.02895	6.8
217.05009	8.3
219.02887	3.9
229.05061	4.1
233.04254	2.9
237.02849	2.2
243.02885	3.1
243.06485	2.4
247.06035	2.4
254.05872	3.0
255.02832	3.4
255.06610	2.9
256.07300	5.1
259.06152	2.9
268.07498	2.6
271.06042	8.5
279.06686	4.8
281.08038	6.0
282.08331	2.9
283.06030	72.7
284.06741	35.3
287.05576	10.1
293.08023	2.8
294.05209	14.5
295.06021	76.6
296.06735	7.7
297.07571	20.7
299.05545	3.8
305.07632	2.6
307.05981	34.4
307.09494	2.7
308.06787	14.1
309.07477	14.4
310.08310	2.8
311.05508	5.3
313.07062	100.0
316.05319	4.9
319.05978	4.5
321.07532	28.3
322.08511	10.1
323.05655	3.9
323.09119	25.3
325.07068	85.5
329.06802	4.1
333.07660	9.6
335.09109	14.8
337.07068	69.6
343.08203	9.1
345.07501	6.4
347.09122	10.8
349.07007	20.1
351.08603	26.5
353.06635	4.4
355.08038	12.9
361.07074	16.6
363.08679	7.2
365.10217	9.6
367.08160	13.8
373.06903	6.2
375.08600	8.1
379.08142	48.8
391.08249	31.0
393.09793	3.1
397.09201	27.5
401.10052	3.3
403.08118	18.1
409.09296	34.7
415.10269	38.7
417.09271	2.6
421.09256	14.4
427.10269	32.9
433.11353	86.8
439.10349	19.7
445.10361	4.7
449.11459	3.0
457.11325	65.0
463.10437	4.2
475.12445	15.3
481.11389	32.3
487.10678	2.7
499.12488	20.8
505.11295	3.5
511.12299	13.1
523.12231	12.8
529.13361	9.2
541.13495	14.8
559.14355	11.2
577.15649	13.0
595.16632	61.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1665
Annotation	Isosaponarin
Peak:m/z	Relative Intensity
57.03434	2.9
65.03954	1.8
69.03427	2.5
70.06599	13.9
72.08159	5.3
81.03423	2.6
83.95988	1.9
84.04494	2.4
84.08182	2.0
85.02918	10.2
86.09714	5.8
89.02420	1.8
91.05486	4.7
93.03407	1.5
103.03955	2.3
107.04975	2.4
109.02928	4.1
110.07163	5.4
115.05463	6.1
119.04945	7.0
120.08104	5.3
121.02873	36.7
127.03938	4.0
131.04890	8.6
135.04375	2.1
137.02365	2.2
143.04904	4.0
145.02859	6.3
147.04425	15.2
148.04771	3.9
159.04431	5.8
161.02365	3.1
163.03908	12.0
164.04234	2.6
165.01826	2.5
171.04335	2.9
175.03944	1.8
177.01915	4.2
181.05054	2.0
187.03899	24.3
189.01866	5.9
189.05472	2.5
191.03423	3.1
195.02979	4.1
197.05948	1.6
199.03995	2.5
203.03319	8.2
205.04991	5.6
207.02895	5.7
213.05466	3.4
215.03419	3.6
217.04904	8.8
219.02975	3.4
221.04541	2.3
229.04961	3.9
231.11349	2.6
233.04486	3.4
239.06934	1.6
243.02974	3.6
243.06645	3.8
256.07364	4.9
259.05972	2.7
261.03894	3.5
266.05252	1.6
267.06552	2.6
268.07474	3.9
271.06149	6.2
280.07285	2.6
281.08099	3.1
283.06015	69.4
284.06744	34.3
285.04172	2.2
285.07556	3.9
286.04538	2.9
287.05554	2.8
291.06683	2.3
293.08109	3.4
294.05301	11.0
295.06033	60.9
295.23047	1.5
296.06815	6.3
297.07559	22.8
299.05304	4.1
305.08194	1.8
307.06015	32.8
307.09567	2.2
308.06766	14.0
309.07477	14.3
311.05569	2.8
313.07059	100.0
315.05194	2.2
316.05267	2.9
319.05978	2.0
320.06558	2.9
321.07578	19.7
322.08508	7.7
323.05597	2.9
323.09131	22.8
325.07083	67.4
329.06900	2.1
331.06076	2.1
333.07602	5.6
335.09158	10.1
336.06219	3.7
337.07074	55.5
339.08655	3.5
343.08264	5.8
345.07739	4.6
347.09341	8.4
349.07010	25.9
351.08664	24.8
352.30438	1.8
355.07904	8.9
357.07779	2.2
361.07013	12.3
361.10858	3.0
363.08823	5.5
365.10590	7.9
367.08209	16.1
371.09253	2.0
373.07108	3.9
375.08652	9.1
379.08154	43.8
387.08743	2.7
389.10394	2.6
391.08200	24.3
397.09210	22.6
403.08151	13.7
409.09219	30.2
415.10300	35.8
421.09296	14.0
427.10385	24.4
431.10843	1.7
433.11334	81.6
439.10168	15.7
445.10434	4.9
457.11319	53.9
463.09949	3.9
475.12524	13.0
481.11185	20.6
499.12582	17.6
505.11981	2.5
511.12408	13.8
523.12335	9.3
529.13568	8.0
541.13477	12.8
559.14520	10.0
577.15594	12.0
595.16577	58.7
595.79663	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	595.166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08297	0.1
50.70192	0.1
51.98194	0.1
53.03942	0.2
55.01868	0.3
55.05511	0.2
57.03441	1.9
61.02927	0.4
61.82887	0.1
68.99796	0.4
69.03430	1.1
70.06590	0.2
70.26022	0.1
71.01366	0.2
71.04996	11.3
71.49123	0.1
73.02916	0.4
74.67928	0.1
75.04482	0.5
79.05495	0.2
81.03426	0.6
81.07068	0.1
83.04984	0.6
84.08163	0.1
85.02910	14.8
85.06586	0.1
86.09716	0.1
87.04491	0.4
91.03979	0.1
95.04982	0.1
97.02895	1.3
99.04464	0.3
100.83083	0.1
103.03954	0.1
105.03413	0.2
107.04969	0.3
109.02883	0.6
111.00811	0.5
111.04464	0.4
120.08140	0.1
121.02869	2.1
125.09642	0.2
127.03930	0.8
129.05490	3.4
131.03011	0.1
133.02869	0.3
135.04437	0.1
135.88847	0.1
137.02351	0.7
145.04950	0.7
145.06532	0.2
147.04436	0.5
147.06523	0.8
153.00592	0.2
153.01833	3.1
157.06505	0.3
161.05989	0.2
163.06081	0.1
165.01851	1.6
169.06616	0.1
171.04416	0.2
183.02904	0.7
185.05956	0.4
189.05472	0.1
197.06017	0.2
201.05545	0.1
203.07167	0.1
211.80409	0.1
213.05479	1.1
229.04932	0.1
229.09772	0.1
231.06577	0.6
241.04962	0.8
243.06479	0.1
258.05237	0.8
259.06018	0.4
269.04413	0.1
287.05508	100.0
288.05798	1.1
299.05508	0.3
329.06619	0.3
353.06778	0.1
383.07620	0.2
431.09610	0.1
449.11383	0.4
533.81726	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	595.1659
Annotation	Datiscin
Peak:m/z	Relative Intensity
55.01866	0.3
57.03443	2.3
61.02917	0.6
68.99804	0.5
69.03436	1.1
70.03892	0.9
71.01372	0.2
71.04996	11.8
73.02931	0.4
75.04483	0.5
79.05472	0.2
81.03394	0.6
81.81519	0.2
83.04970	0.6
84.60700	0.2
85.02911	15.3
87.04456	0.3
95.70858	0.2
97.02888	1.2
99.04463	0.3
107.04903	0.4
109.02839	0.5
111.00803	0.5
111.04440	0.5
121.02863	2.3
127.03907	0.8
129.05476	3.6
133.02856	0.3
137.02356	0.7
145.04951	0.7
147.04428	0.5
147.06558	1.0
153.01848	3.2
157.06534	0.3
165.01854	1.6
177.88992	0.2
183.02892	0.9
185.05966	0.4
213.05467	0.9
224.18590	0.3
231.06563	0.5
241.04858	1.0
258.05212	0.7
259.05969	0.5
287.05511	100.0
288.05823	1.6
291.27817	0.2
611.48914	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1661
Annotation	Orientin 7-O-rhamnoside
Peak:m/z	Relative Intensity
57.03441	6.0
57.77795	1.5
70.06599	6.2
70.73599	3.2
70.73939	3.7
71.04998	32.8
72.08153	3.3
78.72567	1.5
79.01856	1.7
81.03416	3.0
83.04974	1.8
84.08157	3.4
85.02916	37.7
86.09707	4.0
95.08619	2.0
98.09691	3.6
100.11273	1.7
111.04432	2.4
113.09820	1.7
120.08135	3.7
121.02895	4.5
122.02753	8.3
129.05476	5.5
135.04446	3.5
137.02367	4.7
161.02333	2.8
163.03864	3.0
165.01823	12.7
167.03319	2.0
177.01839	2.6
182.15489	2.8
187.03906	2.0
195.02861	2.3
203.03494	2.1
208.14053	1.9
211.07420	2.0
213.05200	2.3
243.02948	2.4
254.35815	1.8
255.06483	2.1
283.05994	24.1
284.06735	7.1
285.03464	1.8
286.04797	3.2
287.05487	7.5
295.06039	5.4
297.07526	11.1
299.05505	100.0
300.06296	11.8
309.07562	2.8
311.05536	11.4
313.07068	23.8
321.07526	2.9
323.05582	2.7
323.09094	2.7
325.07059	26.0
329.06589	97.8
330.06961	2.8
337.07138	7.6
339.08694	16.6
345.07678	2.5
346.16968	2.9
347.17056	3.4
349.07364	3.1
353.06567	43.0
354.23666	2.3
365.06473	14.4
367.08160	4.1
377.06689	10.2
383.07626	33.0
395.07626	24.2
397.09192	5.3
413.08734	25.3
415.10297	8.1
431.09793	43.1
433.11316	29.6
449.04553	3.1
449.10809	50.8
495.94479	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2759
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
55.05512	0.7
56.99070	0.3
57.07057	0.5
60.72078	0.3
67.05508	1.7
67.98441	0.3
69.28430	2.6
79.05490	1.1
81.07059	1.8
93.07041	1.0
95.08615	0.6
98.20736	0.6
105.07032	0.4
107.08578	0.5
109.10159	0.7
131.08595	0.4
135.11737	0.4
202.54300	0.4
219.65324	0.3
313.27380	0.6
335.26163	0.4
386.54300	0.4
389.17679	0.7
390.18298	0.4
402.18619	0.7
403.19153	2.7
404.20303	0.7
405.20895	1.5
416.20230	0.6
417.16370	1.0
417.21582	3.1
418.21732	1.2
419.22321	3.2
430.18021	1.0
431.18256	7.4
431.23535	0.6
432.18677	2.0
433.24109	5.9
434.24588	1.1
445.19937	8.3
446.20798	3.7
447.21921	5.4
448.22214	0.5
449.23203	0.4
459.21472	2.9
460.22580	10.3
461.23273	8.2
463.21368	0.4
473.23825	2.1
474.24014	0.7
476.26273	0.8
477.22528	0.8
487.25183	0.9
489.26547	0.4
491.24271	1.2
492.25162	1.1
505.21835	5.9
518.23602	0.7
519.24066	0.9
533.25513	24.9
534.26324	0.6
549.24316	0.4
565.28217	0.7
578.25549	0.4
593.27606	100.0
594.27930	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
70.61548	1.3
87.74246	0.4
98.21228	0.5
100.28262	0.5
182.49525	0.5
262.03653	0.4
263.88354	0.5
388.17349	0.6
389.17703	1.2
401.18011	0.8
402.18472	1.1
403.19165	3.6
404.20132	1.2
405.20898	2.7
416.20343	0.8
417.21350	4.7
418.22147	2.3
419.22357	3.8
430.18011	1.5
431.18207	10.1
432.19366	2.0
432.24042	0.9
433.19177	0.7
433.24127	9.6
434.24710	1.3
444.19232	0.9
445.20026	12.8
446.20706	6.4
447.21841	5.6
449.24023	0.5
459.21384	4.5
460.22565	17.7
461.23383	14.3
462.21115	0.4
464.63513	0.5
473.23596	3.2
474.24258	1.1
476.25916	2.0
477.22357	0.8
477.26462	0.6
487.25018	1.7
489.27142	0.6
491.24689	0.8
492.25195	1.1
504.21518	0.5
505.21869	6.1
518.23102	1.2
519.23853	1.4
533.25519	51.5
534.26196	1.3
547.26178	0.6
565.28412	1.3
593.27606	100.0
594.27795	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2754
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
57.51604	0.3
62.54918	0.4
69.80312	0.7
69.80722	1.3
77.22795	0.3
131.28833	0.4
135.28348	0.4
150.27135	0.4
209.10654	0.5
322.46564	0.4
374.15240	0.5
375.15601	0.4
387.94168	0.4
389.17682	0.7
402.18338	1.1
403.19189	3.3
404.19879	1.1
405.20895	1.8
416.20724	0.6
417.15976	0.7
417.21204	3.8
418.22012	1.8
419.22430	4.1
429.21265	0.5
430.17822	1.2
431.18195	7.4
432.18787	2.4
433.24268	5.8
434.24808	1.3
445.19974	9.6
446.20844	4.2
447.21832	5.4
459.21469	4.0
460.22574	13.6
461.23264	10.2
473.23944	2.8
474.24496	0.7
476.25983	1.2
477.22769	1.0
487.24951	1.1
489.26752	0.4
491.24393	1.2
492.25284	1.9
504.21469	0.5
505.22083	6.2
518.23132	0.6
519.24347	0.8
533.25531	28.5
534.25873	0.8
564.23914	0.6
565.28168	0.7
578.24286	0.4
593.27588	100.0
594.27588	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	591.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45292	1.3
53.03938	3.6
55.05512	16.0
57.03444	12.6
57.07079	38.6
60.12567	1.2
65.03924	2.1
67.05506	64.2
69.07073	16.4
70.98175	3.4
71.05014	1.8
71.08635	28.7
78.69046	1.2
79.05495	31.1
81.07059	67.3
83.08620	15.6
85.06537	2.7
85.10185	16.0
89.06025	1.3
91.05492	19.6
93.07047	49.6
95.04953	1.8
95.08613	62.2
97.06516	3.0
97.10168	6.6
99.65231	1.2
105.07032	13.9
107.08601	27.9
109.10157	31.6
111.11735	1.9
117.07046	7.9
119.08585	13.9
121.10139	21.1
123.11691	14.5
129.05544	1.5
131.08585	13.4
133.10156	9.3
135.11700	18.4
137.13252	6.1
145.10132	10.2
147.11681	7.4
149.13246	11.9
151.14783	2.3
159.11688	10.5
161.13249	5.7
163.14830	8.5
173.13271	11.2
175.14815	3.3
177.16429	3.5
187.14809	5.0
233.22722	4.1
239.23721	5.2
243.21115	14.3
257.24753	2.2
261.22137	66.2
277.21863	1.8
279.23218	3.7
295.54932	1.2
299.23752	3.3
306.41565	1.8
313.27368	100.0
314.27722	3.2
317.24683	13.7
335.25800	72.5
336.26086	1.7
410.35147	1.5
414.31497	1.7
499.44864	2.2
503.02634	1.4
573.48712	21.8
591.49963	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	591.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24466	2.2
53.03939	3.8
55.05516	17.2
57.00665	2.5
57.03444	11.7
57.07082	47.0
67.05512	62.4
67.68008	2.7
69.07072	24.9
71.08636	28.7
71.49361	3.3
74.72904	2.8
78.72569	2.1
79.05502	37.7
81.07067	72.7
83.08624	15.7
84.06225	2.5
85.06537	2.6
85.10186	18.8
89.52748	2.2
91.05482	16.4
93.07050	39.9
95.08619	62.8
97.06558	3.6
97.10186	5.1
105.07050	15.6
107.08591	30.6
109.10169	31.0
117.07023	5.4
119.08611	11.1
121.10159	24.4
123.11710	13.7
131.08589	11.9
133.10114	8.2
134.78252	2.4
134.90558	2.3
135.11713	14.8
135.12584	2.1
137.13281	4.8
145.10121	9.7
147.11690	7.5
147.12799	2.4
149.13271	10.9
153.12840	3.2
159.11696	10.9
161.13228	5.2
163.14879	9.4
173.13292	9.4
187.14795	6.5
201.16344	3.0
239.23662	4.4
243.21082	12.9
261.22156	64.4
313.27399	100.0
314.27618	3.5
317.24908	11.6
335.25815	67.0
573.48682	19.9
591.26019	3.1
591.39447	3.6
591.49310	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	591.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68283	4.1
55.05511	20.5
57.07067	4.9
59.91343	3.9
67.05517	26.3
69.03414	16.5
69.07076	36.3
69.32162	37.1
70.06580	8.2
71.04989	3.9
74.91047	3.7
79.05482	15.2
81.03407	13.3
81.07062	84.5
83.08614	15.8
85.02888	17.6
87.00819	13.3
87.56295	4.1
91.05493	8.1
93.07050	21.1
95.08617	100.0
97.02895	5.9
97.06519	7.3
97.10169	17.6
99.08096	8.3
105.01855	8.4
105.07022	15.3
107.08617	21.4
109.02880	7.6
109.06516	4.8
109.10168	56.0
111.08054	9.9
111.11714	15.9
119.08576	12.0
121.10164	15.5
123.08078	7.3
123.11731	29.7
125.09650	7.6
127.03925	18.0
131.08614	5.1
133.10136	7.6
135.11690	16.9
137.13277	9.3
139.11189	5.9
145.10144	11.1
147.11627	9.3
149.13240	7.2
151.14822	14.3
159.11734	6.3
161.13263	11.2
163.14861	5.9
165.09111	6.8
165.12811	7.7
175.14824	8.4
201.16286	5.6
209.15265	4.6
225.18513	4.8
229.08681	7.2
247.09547	5.0
271.24228	6.8
271.51312	4.5
289.25229	16.6
307.26382	28.8
325.27374	10.2
397.27460	5.9
400.96088	4.5
591.18842	4.5
591.27124	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	591.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85389	0.6
51.02381	0.9
53.03946	2.1
54.70953	0.7
55.01868	1.9
55.05518	5.7
57.03433	1.8
57.07076	2.7
65.03933	1.3
65.21837	0.7
67.05173	1.2
67.05506	12.2
69.03427	4.5
69.07078	3.6
71.05001	0.8
71.08611	1.0
79.05491	11.9
81.03424	6.3
81.07064	10.7
83.04972	2.0
83.08618	2.1
85.02905	2.4
91.05489	14.7
93.06487	0.9
93.07055	12.1
95.04977	2.7
95.08044	1.1
95.08611	10.7
97.02908	3.2
98.20681	1.0
103.05434	1.1
105.07034	8.8
107.04968	1.1
107.08572	6.0
109.02872	3.0
109.06554	1.1
109.10165	3.7
111.04490	1.6
111.49652	0.7
115.05458	11.6
117.07021	5.8
119.04984	1.4
119.08594	7.0
121.10123	4.1
121.57471	0.7
123.04457	0.7
123.11729	1.1
125.02359	2.7
127.03915	2.8
128.06247	2.9
129.07008	4.8
130.07806	2.7
131.04926	7.7
131.08589	5.5
133.02898	0.8
133.06563	0.8
133.10123	3.5
134.03664	2.1
135.08069	1.1
135.11688	2.9
141.06990	2.3
143.04907	3.6
143.08517	3.5
145.06520	2.5
145.10127	4.0
146.03650	1.0
147.03232	1.5
147.04419	32.6
147.11702	2.6
151.03903	1.4
152.06239	1.6
153.07071	1.1
154.07750	0.7
155.04909	0.9
155.08575	1.9
157.06465	0.9
157.10182	1.8
158.03642	1.9
159.04431	2.8
159.11729	2.2
161.02412	1.2
161.06013	2.2
161.13287	1.6
165.07022	2.3
166.07846	1.9
167.08582	9.6
169.06538	1.6
169.10091	1.4
171.04422	57.0
171.11714	1.2
173.06059	2.5
173.13280	1.8
178.07784	3.4
179.08588	3.3
181.06493	6.9
181.10051	1.0
183.08148	1.0
183.11784	1.2
184.05223	23.2
185.05965	5.0
185.13330	1.1
186.06773	0.6
187.03926	21.5
187.05562	1.4
187.11252	0.8
187.14696	0.8
189.05484	2.1
189.07053	0.7
191.08578	1.0
193.10196	1.7
194.07256	1.4
195.04437	0.9
195.08057	13.4
197.05989	35.1
198.06763	3.4
199.03943	3.1
199.07590	2.8
201.05536	1.2
201.09097	1.1
203.08621	1.4
205.06555	1.3
206.07275	1.5
207.08058	5.3
209.06000	13.0
209.09535	0.9
210.06764	9.8
211.03734	0.6
211.07559	6.5
213.05536	1.9
213.09166	1.2
218.07237	0.7
219.08083	2.4
221.06021	5.8
221.09651	2.5
222.06688	1.2
223.07558	42.1
224.08331	26.3
224.10548	0.9
225.05664	1.4
225.09114	13.6
227.03452	0.9
227.07123	1.2
229.05040	1.4
231.08145	1.7
233.09784	1.6
234.06822	1.9
235.07556	37.8
236.08353	4.4
237.05576	1.1
237.09050	3.2
238.10022	2.2
239.07072	1.4
239.10625	1.6
241.19705	0.7
243.20834	1.0
247.07555	5.6
247.11258	1.2
248.08392	2.0
249.06485	1.3
249.09119	24.9
250.09859	1.5
251.07069	1.5
251.10695	3.9
253.04854	1.2
259.07562	1.1
259.20660	2.0
260.08487	1.1
261.09146	5.4
261.22052	3.8
262.09900	2.0
263.10641	3.5
264.11475	23.1
265.12195	1.7
269.08032	0.7
273.09113	1.2
275.10638	3.4
277.12283	2.5
277.21817	1.4
287.10791	1.2
289.12354	1.5
295.06110	1.3
297.07758	1.5
303.13663	1.0
305.15271	1.0
313.27362	4.1
319.17007	1.1
335.25977	2.2
339.15863	1.2
340.61365	0.8
360.17285	1.1
369.24194	0.8
379.19458	1.0
423.18280	1.6
429.24344	2.6
447.25211	6.4
471.25372	1.0
482.19348	6.1
483.20200	1.1
513.26367	1.2
522.22485	17.4
523.22845	0.9
527.28357	1.1
531.27264	0.9
537.26563	1.2
545.29041	0.9
548.64624	0.8
555.27637	4.2
573.28339	7.6
591.29572	100.0
592.30145	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	591.2603
Annotation	Trigonosin A
Peak:m/z	Relative Intensity
52.80209	0.3
58.63231	0.2
67.05509	0.3
69.13560	2.5
79.05492	0.3
81.07065	0.3
91.05495	0.3
93.07044	0.4
95.08613	0.3
98.21487	0.4
107.08595	0.3
113.32206	0.2
120.96581	0.2
128.40669	0.2
237.16267	0.2
300.76593	0.3
313.27255	0.4
335.25436	0.3
389.18353	0.3
399.15869	0.3
400.17120	0.3
401.17685	1.4
402.19125	0.3
403.19336	0.4
404.20834	0.5
413.17630	0.6
414.18411	0.9
415.19162	4.3
416.20059	2.0
417.20721	0.8
418.22006	0.4
427.19513	0.3
428.20248	0.8
429.15869	0.4
429.20923	6.7
430.21689	4.1
431.22626	1.4
433.23816	0.7
442.21671	0.6
443.22943	2.5
444.23431	7.1
445.24261	3.6
446.24622	0.5
448.26266	1.0
455.18149	0.4
456.19193	0.3
457.19916	0.9
457.24802	0.6
458.25775	1.3
459.21390	2.6
459.25836	2.5
470.21335	0.4
471.21783	0.7
472.22629	3.2
473.23499	5.3
474.24353	2.7
475.24893	0.9
476.22067	0.7
485.23428	1.5
486.24234	0.7
487.24948	22.6
488.25525	0.7
489.22940	2.1
490.23871	0.5
499.21967	0.3
500.21805	0.4
501.22974	0.5
502.24548	0.3
503.25146	1.8
504.25497	0.4
515.24481	1.4
517.22302	0.7
518.23260	0.7
531.23914	13.6
532.24677	5.2
563.26764	0.4
591.26001	100.0
592.26288	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.0
54.19888	0.9
55.01859	1.3
55.05517	8.4
57.03440	2.0
57.07069	1.7
61.02925	1.6
67.05515	7.1
68.70157	1.2
69.03427	8.0
69.07072	97.9
70.06599	8.6
70.07400	1.8
70.55551	0.9
71.05006	1.9
71.49045	1.0
72.08145	3.0
73.06556	3.0
74.06069	1.0
79.05515	2.3
81.03416	3.0
81.07061	12.8
83.08635	2.4
83.31367	1.0
84.08168	1.6
85.02908	16.9
86.09702	5.1
87.00835	2.5
87.04471	4.2
89.06036	100.0
90.06397	1.3
91.05484	3.2
93.07054	2.5
95.04963	2.9
95.08616	10.9
97.02895	4.8
99.04459	2.3
103.05443	1.7
105.01774	1.3
105.07033	2.8
107.08591	4.0
109.02869	3.3
109.10150	3.8
111.08079	2.0
111.11723	33.5
113.66888	1.0
115.05523	1.2
117.09090	1.1
119.08567	2.6
120.08125	2.4
121.10141	2.1
123.11684	1.5
125.09605	2.5
127.03944	4.7
129.10257	2.5
131.04921	1.5
133.08606	53.5
136.06223	1.4
136.07568	1.9
137.06004	8.3
137.13284	2.5
138.06316	3.8
141.35223	1.0
145.04987	1.9
145.10136	1.5
147.07980	1.1
147.11716	1.7
163.03873	1.1
163.07639	1.2
163.11192	1.6
173.09622	1.4
175.07536	3.7
176.07928	1.9
176.10732	2.5
177.11230	22.1
178.05045	1.9
189.97704	1.1
190.12277	2.5
195.12268	4.6
199.07492	1.4
199.16966	3.7
200.03462	1.3
220.09747	1.6
221.13919	3.2
225.06912	1.2
229.04996	1.2
231.08054	1.0
239.14873	2.1
240.10274	1.4
243.19569	7.6
252.12407	2.2
256.07312	2.3
258.53900	1.2
265.16727	1.3
266.08167	2.9
267.08817	2.9
280.10245	1.2
283.17538	33.4
292.10464	1.1
305.23126	3.0
306.23596	1.7
307.23849	3.4
323.12439	1.1
324.13034	2.0
349.25894	1.1
393.28497	98.1
394.28656	1.4
411.29596	11.4
475.09570	1.4
572.20996	1.6
590.17877	11.6
590.26544	1.5
591.10474	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
60.04529	10.9
68.05032	0.4
69.03419	0.7
69.07059	0.5
69.12466	2.9
69.12894	1.5
70.02949	1.4
70.06600	2.5
72.08165	0.7
79.05476	1.1
81.03424	0.5
81.07039	0.5
84.08169	0.7
85.02902	1.1
85.04021	0.7
86.09692	0.7
89.03905	0.5
91.05486	2.0
93.07022	0.5
95.08632	0.4
99.04473	0.4
105.07032	0.5
106.06556	0.4
107.04953	2.0
107.08608	1.1
109.10195	0.5
112.50486	0.4
116.05037	0.5
118.06584	2.5
119.04993	0.9
119.07330	14.9
120.05768	0.5
120.08118	1.0
121.10146	1.0
123.04420	1.2
125.09696	0.5
127.03888	0.5
130.06529	1.4
131.07330	0.7
132.04489	0.6
132.08081	0.5
133.05209	0.8
133.10147	0.5
134.06013	4.8
135.04416	3.8
135.06813	1.7
137.05972	0.7
140.07034	2.3
143.07324	1.4
144.04437	0.7
145.05215	0.5
146.06020	1.9
147.04428	1.4
148.03947	0.6
150.05469	2.0
158.06062	0.5
159.04408	0.5
159.06795	0.8
160.07623	0.5
162.05502	5.5
163.03902	2.9
164.07094	1.2
172.03935	0.6
174.05556	1.5
178.05008	16.2
179.08563	0.5
181.06586	0.5
190.04974	7.1
190.12210	0.5
192.06615	0.6
195.08093	1.0
199.07678	0.6
200.03429	9.3
202.05019	1.7
203.03296	0.5
207.08113	0.6
208.13387	1.7
210.06781	1.6
211.07576	1.7
213.09161	0.9
218.04535	1.8
220.05971	2.9
221.06009	1.2
221.08217	0.5
222.06874	0.9
223.07518	5.1
225.09161	2.2
227.07054	1.5
234.06915	0.7
234.09155	0.5
235.07507	1.0
236.08412	0.8
237.05574	0.4
237.09052	0.9
238.08492	2.1
239.07111	1.6
240.07744	1.1
240.10168	10.8
241.08618	0.9
247.07466	0.5
248.07269	0.9
249.05457	1.3
249.08008	1.7
250.06258	3.4
250.08737	4.7
251.07074	2.0
252.10080	2.9
253.08737	0.6
254.08168	0.7
254.11823	1.6
259.07043	0.6
263.06934	0.5
264.06769	0.8
264.10309	0.8
265.04822	0.7
265.07376	0.4
266.08157	14.7
266.11368	0.8
267.06503	0.9
267.08893	11.5
267.11359	1.5
269.08182	1.6
269.12970	1.1
269.26477	0.5
270.11346	1.0
276.10480	0.5
277.07983	1.4
278.05597	0.9
278.08234	1.5
278.11713	0.5
280.09686	5.8
281.08160	0.6
281.13083	0.5
282.07745	0.9
282.11264	0.6
286.10739	2.8
292.06107	0.5
293.12814	1.0
294.07755	3.7
294.10907	0.6
295.08298	3.6
295.11301	0.6
295.14304	0.5
296.09366	0.6
296.13116	0.4
298.10797	1.5
309.07654	0.5
309.12189	0.6
310.07172	0.6
311.14169	0.6
313.11841	0.8
313.15469	0.5
317.97836	0.5
319.10913	0.6
321.12329	1.1
322.10855	1.0
336.13565	0.6
337.11935	0.5
339.13806	2.3
341.11435	1.2
349.12015	1.5
355.13034	0.7
357.11154	0.5
367.12918	2.0
368.11993	0.6
372.12180	0.4
373.13846	1.3
374.14252	0.7
382.14069	0.6
383.12222	0.8
384.12399	3.6
385.14178	4.5
395.12354	2.1
401.15131	1.2
402.13422	1.8
410.15814	1.7
411.12744	0.8
412.11594	2.1
413.13617	3.0
414.13522	0.9
416.11572	0.5
428.14709	1.2
429.14435	3.9
430.12872	3.3
441.03067	0.4
447.15558	1.2
457.14236	0.7
458.12497	1.2
475.15109	5.0
500.18118	0.6
514.65088	0.4
518.19165	1.0
544.16882	2.0
545.15527	1.5
562.18298	7.1
572.16797	2.8
587.03564	0.5
590.17719	100.0
591.18018	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4831
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76551	2.4
53.03937	3.9
53.53897	2.5
55.01860	4.0
55.05518	37.8
57.03440	10.1
57.07075	15.9
64.08361	2.7
65.03942	3.7
67.05510	86.0
69.07076	48.2
71.08633	9.8
79.05498	43.1
81.07063	95.2
83.08620	27.6
85.06565	5.5
85.10197	5.8
91.05485	24.0
93.07047	55.6
95.04966	5.7
95.08614	78.8
97.06538	5.6
97.10159	15.5
105.07040	20.9
106.99158	2.3
107.08603	36.2
109.10157	38.2
111.08103	3.3
111.11772	4.0
117.07024	6.7
119.08604	14.7
121.10149	32.7
123.11723	18.9
131.08578	13.5
133.10104	17.4
133.54201	2.3
135.11697	26.9
137.06021	4.4
137.13281	9.0
145.10107	16.9
147.11696	12.9
149.13248	13.1
151.11148	3.0
157.10266	3.2
159.11742	9.7
161.13303	9.1
163.14825	4.6
171.11739	2.5
173.13248	12.4
175.14861	3.9
177.90794	2.3
185.13344	3.1
187.14880	5.3
237.22293	3.8
241.19432	3.2
243.21118	4.8
247.20818	2.8
261.22156	41.7
269.72366	2.8
277.18390	2.9
277.21558	4.1
279.23386	6.5
299.97513	2.8
308.29617	10.5
311.25784	37.0
317.24844	8.2
325.27216	5.0
335.25781	27.6
405.19449	2.9
460.67905	2.5
493.30185	2.8
497.43933	6.8
515.44916	4.7
571.47205	27.2
589.48401	100.0
590.48749	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	589.4833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.8
55.01886	2.3
55.05518	31.5
57.03443	8.9
57.07079	15.1
65.03934	3.7
67.05511	89.5
69.07073	38.9
69.79736	9.6
71.04990	2.4
71.08639	8.8
79.05500	46.0
81.07066	100.0
83.05003	3.2
83.08630	21.8
85.06557	3.3
85.10215	2.5
91.05495	24.9
93.07051	52.8
95.04990	4.3
95.08618	71.1
97.06537	5.7
97.10183	15.7
98.20871	2.9
99.08109	4.5
105.07033	22.2
105.07603	2.0
107.08610	35.6
109.06567	2.4
109.10164	36.4
109.10844	2.9
111.08140	3.6
111.11761	4.0
117.07034	6.6
119.08592	19.5
121.10155	34.7
123.11750	17.9
124.20226	1.7
125.09697	1.8
129.06999	3.4
131.08585	14.2
133.10158	17.8
135.11713	24.1
137.06010	4.7
137.13309	7.9
139.11179	1.7
143.08606	2.4
143.75859	2.0
145.10135	12.0
147.11702	17.1
149.13289	14.4
151.08722	1.8
157.10121	2.2
159.11716	8.9
161.13260	10.4
163.14880	6.1
171.11742	2.4
173.13268	10.4
175.14917	4.0
185.13284	2.1
187.14911	5.7
189.16415	3.0
201.16556	2.7
219.21056	3.0
231.21207	2.5
233.22876	2.6
237.22240	3.8
241.19505	2.7
243.21146	7.1
259.20609	6.3
261.22156	38.4
277.18204	3.3
277.21475	2.2
279.23294	2.7
309.24570	2.1
311.25867	39.4
313.27420	5.6
317.24820	6.9
325.27655	2.7
335.25864	24.9
337.27286	2.0
365.43240	1.9
377.31015	2.6
497.43640	8.1
515.44727	6.5
571.47369	22.5
589.48407	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	589.4829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.3
55.01867	2.0
55.05282	1.4
55.05513	17.8
57.03440	11.0
57.07078	44.4
65.03928	2.3
67.05508	43.7
69.07071	20.9
69.97514	3.3
71.05006	2.4
71.08251	1.8
71.08635	29.7
79.05495	35.2
81.07056	50.2
83.04984	1.5
83.08621	14.7
84.77203	0.8
85.06526	3.3
85.10188	16.6
89.06007	2.0
91.05482	48.8
93.07045	39.4
95.04955	2.9
95.08610	41.4
97.06527	3.3
97.10174	7.2
98.21484	1.8
99.08102	3.4
103.03915	1.1
103.05430	1.1
105.04491	1.1
105.07034	52.1
107.08592	21.2
107.09750	0.9
109.06475	1.3
109.09476	1.7
109.10155	16.6
111.11733	1.4
113.09621	1.4
117.07021	11.1
119.08584	44.9
121.10141	18.0
123.11716	6.5
125.09609	1.9
128.06165	1.5
129.05475	2.0
129.06990	8.8
130.07764	1.3
131.07608	1.3
131.08568	19.9
133.10130	37.1
135.08151	0.9
135.11699	16.0
137.13255	1.7
139.90695	1.0
142.07770	1.2
143.08591	8.2
145.10124	17.3
147.08089	1.3
147.10518	2.1
147.11694	42.4
149.09656	1.7
149.13274	13.0
151.11156	0.9
152.47906	0.9
157.10130	9.2
159.11678	19.3
161.13261	36.3
163.11162	2.2
163.14812	4.2
169.10210	1.5
171.11708	13.7
173.13249	10.1
175.11185	1.5
175.14825	16.0
177.12827	1.2
179.14244	1.0
185.13254	12.7
187.14835	4.3
189.16391	1.8
191.14105	0.9
199.14786	6.3
200.03030	1.0
203.14400	1.5
213.16350	3.7
215.17926	1.8
217.16029	1.4
217.19479	2.8
228.95618	0.9
231.17450	1.7
231.21068	9.0
239.17873	1.1
239.23676	4.4
241.19518	42.4
243.21101	1.8
257.24713	2.6
259.20584	93.5
275.19977	1.8
277.21625	2.9
313.27371	100.0
314.27649	1.5
315.23141	7.5
333.24237	50.9
349.23868	1.4
351.25311	2.2
359.97867	0.9
420.61533	1.1
457.46832	1.1
497.43472	0.9
571.47272	10.2
574.62439	1.1
589.41412	0.9
589.48474	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	589.4831
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14136	1.2
53.03944	2.9
53.32393	1.2
55.05515	19.1
57.03440	10.4
57.07081	43.9
65.03937	2.3
67.05509	38.6
69.07072	15.3
71.05001	2.6
71.08636	33.6
77.03951	1.8
79.05500	28.7
81.07057	46.2
81.07533	2.6
83.04969	1.8
83.08627	13.5
85.06541	2.9
85.10185	15.8
89.06059	2.1
91.05484	41.5
91.06025	2.9
93.06486	2.5
93.07048	39.3
95.04967	2.1
95.08613	42.3
97.06523	2.5
97.10172	8.8
99.08101	2.4
102.97232	1.3
103.03889	1.2
105.07037	44.3
107.08595	18.3
109.06522	2.0
109.10151	18.6
111.08098	2.1
111.11730	1.4
113.09624	1.6
115.05470	1.4
117.07007	9.9
119.08586	42.8
121.10136	16.9
121.81779	1.2
123.11676	7.9
127.27161	1.4
128.06229	2.2
129.07011	5.4
131.08586	19.9
133.10136	33.4
135.11700	16.6
137.13266	2.4
143.08575	7.1
145.10133	14.6
147.11699	38.7
149.13258	11.4
151.11209	1.5
157.10150	8.3
159.11688	13.8
161.13275	24.6
163.11128	2.8
163.14839	2.3
171.11658	10.3
173.13266	11.9
175.14838	16.2
175.96159	1.5
184.44934	1.3
185.13232	9.1
187.14833	2.7
189.12668	1.8
199.14893	4.8
203.14375	1.3
213.16365	1.4
215.18005	1.7
217.19479	2.6
231.17490	2.0
231.21045	6.6
239.18234	1.4
239.23611	6.9
241.19524	33.9
257.24802	3.5
259.20593	87.5
260.20941	1.6
277.21515	1.5
313.27380	100.0
314.27829	1.6
315.23093	6.2
333.24231	46.4
351.25256	2.5
365.76013	1.3
475.88965	1.5
497.43646	2.8
571.47498	8.6
589.48584	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	589.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81900	1.2
53.03950	5.9
55.01870	3.4
55.05272	1.9
55.05516	23.9
57.03445	2.4
57.07085	7.3
58.50470	1.4
59.04988	2.3
61.02931	2.5
62.66772	1.3
66.29233	1.2
67.05507	29.4
67.68832	1.3
68.99793	3.3
69.03436	14.8
69.07073	35.9
69.12517	5.6
69.12940	10.8
70.06592	2.8
71.04985	4.2
72.08140	3.2
79.05497	24.1
81.03427	16.2
81.07063	100.0
82.07420	2.1
83.04972	3.6
83.08622	11.4
84.08172	2.6
85.02911	11.7
85.06530	9.9
86.09703	2.3
87.00831	3.3
91.05484	11.1
93.06490	2.5
93.07051	45.5
93.69715	1.6
95.04961	5.1
95.08614	81.2
95.62623	1.5
97.02902	7.7
97.06546	11.8
97.10163	19.0
97.44476	1.3
99.04449	4.6
99.08099	4.5
100.11339	1.4
105.01758	2.0
105.07030	21.4
107.08603	47.4
109.02888	15.9
109.06535	4.6
109.10161	33.2
111.04456	3.5
111.08086	15.2
111.11724	6.5
119.08568	15.2
120.08144	1.7
121.06503	2.4
121.10145	26.8
123.08067	3.8
123.11712	41.3
125.09605	5.0
127.03925	18.8
127.07473	1.4
129.01825	4.6
129.07025	1.9
131.08568	5.3
133.10152	12.0
135.11690	16.5
135.12418	1.4
137.09647	3.6
137.13275	17.3
139.11163	14.4
140.63945	1.5
141.12729	4.3
143.08545	1.9
145.10118	6.1
147.11717	13.0
147.50998	1.4
148.11223	15.1
149.09663	2.1
149.13261	43.6
151.11148	4.7
151.14833	3.0
153.12784	6.9
155.08510	2.6
155.14357	2.5
157.10167	2.6
157.12234	10.2
159.11702	6.8
161.13286	7.4
163.11174	3.3
163.14809	9.8
165.12735	2.9
169.10150	1.5
169.12207	1.9
171.13823	2.3
173.09807	1.5
173.13309	3.6
175.14815	5.4
177.12851	1.8
181.10048	1.6
185.09621	1.9
185.13290	2.5
187.11153	2.5
187.13286	4.0
187.14799	3.0
189.16402	2.5
191.14270	2.1
193.15881	2.8
201.16318	1.7
203.14418	1.9
203.17903	1.7
207.17567	2.0
209.15297	3.2
213.03951	4.7
213.16473	1.8
231.05090	2.2
231.17448	1.8
249.18561	5.4
269.22629	3.3
275.23773	1.8
277.25266	3.1
287.23700	6.0
293.24759	5.5
305.24753	33.6
311.25571	1.7
323.25858	15.7
413.26706	3.2
505.27716	2.3
526.57623	1.7
535.28943	2.2
553.30359	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51877	1.1
53.03945	5.3
53.20586	1.2
55.01860	3.1
55.05270	1.6
55.05513	21.7
56.05460	1.0
57.03425	2.3
57.07084	5.2
59.04994	1.6
65.03944	1.9
67.05506	31.5
68.99793	1.2
69.03438	16.9
69.07072	34.7
69.32191	3.6
69.32624	5.9
70.06577	4.7
71.04984	4.4
71.08603	1.9
71.39121	1.0
71.47481	1.1
73.02959	1.2
79.05493	18.5
81.03423	17.6
81.07059	100.0
82.07379	2.1
83.04977	3.1
83.08620	10.3
84.04473	1.0
84.08145	1.2
85.02911	11.2
85.06557	11.1
86.09707	2.9
87.00842	5.2
91.05484	13.4
93.07045	47.3
95.04964	4.8
95.08610	84.9
96.08928	1.8
97.02886	6.6
97.06522	11.1
97.10173	17.6
98.54415	1.2
99.04453	5.4
99.08089	3.6
105.07037	21.1
107.04922	1.8
107.08599	46.5
108.01598	1.3
109.02882	14.5
109.06510	4.7
109.10162	33.0
111.04435	2.6
111.08095	16.5
111.11716	6.9
117.07002	2.3
119.08585	15.2
120.08080	3.2
121.06484	2.3
121.10155	28.2
123.04366	1.3
123.08063	3.3
123.11709	48.9
124.12048	1.6
125.09616	5.3
127.03931	13.5
127.07462	1.3
130.07797	1.3
131.08548	4.4
133.10126	10.5
135.08073	1.9
135.11708	16.9
137.06007	1.5
137.09601	3.0
137.13263	18.9
139.07610	1.1
139.11195	12.6
141.12750	2.5
143.08542	2.3
144.08170	1.1
145.04909	1.6
145.10136	5.7
147.08067	1.4
147.11682	11.5
148.11159	6.5
149.09625	2.8
149.13268	40.7
151.11159	3.0
151.14813	3.6
153.12740	6.6
155.08611	1.6
155.10641	1.4
155.14267	3.8
157.10114	3.5
157.12230	9.1
159.02884	1.3
159.11668	5.8
161.09666	1.6
161.13281	7.7
163.11238	2.5
163.14807	8.7
165.09154	2.8
165.12756	2.2
167.14282	2.5
169.10094	1.4
169.12199	3.7
171.11690	2.3
171.13777	2.5
173.09686	2.3
173.13269	3.8
175.14812	4.8
177.16344	3.7
179.14296	1.3
185.09592	1.4
185.13289	2.1
187.05980	1.8
187.13292	3.6
187.14812	1.6
189.16402	3.6
191.17992	2.3
195.13834	1.5
197.13176	2.4
203.12685	1.8
207.17427	1.7
209.15359	1.8
213.03909	4.4
213.16434	2.1
215.17950	1.3
217.16060	1.8
219.17494	1.7
223.16963	2.6
231.04987	4.8
231.17427	2.0
237.18413	3.1
249.18428	4.8
253.17723	1.2
269.22662	3.5
275.23709	2.4
277.25241	3.5
287.23767	5.3
293.24738	10.7
303.23547	1.7
305.24741	34.0
307.26581	1.6
321.24097	1.3
323.22473	1.6
323.25879	14.8
341.26712	1.5
344.56107	1.4
399.16278	1.4
413.26794	2.6
431.27866	3.3
523.29272	2.3
535.28931	1.7
553.30060	1.4
589.26672	1.6
615.26294	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.4
55.05519	17.4
57.03435	3.7
57.07069	4.9
57.57617	2.7
58.09665	2.9
67.05503	17.7
69.03423	11.5
69.07068	30.9
69.83964	10.2
70.06599	5.3
72.08166	2.7
79.05508	12.3
81.03419	7.6
81.07058	76.6
83.04971	3.3
83.08639	5.5
84.08141	5.4
85.02905	9.7
85.06541	11.9
86.09691	2.6
87.00831	5.8
91.05483	5.3
93.07046	23.3
95.05003	5.1
95.08614	39.7
95.44544	2.3
97.02888	7.5
97.06508	3.5
97.10166	24.4
98.20910	3.8
99.04471	3.1
105.01859	3.3
105.07012	13.8
107.08600	37.0
109.02865	7.4
109.06533	3.9
109.10170	25.2
111.11739	10.8
119.08559	10.8
121.10160	24.3
123.11710	100.0
125.09616	6.4
127.03903	10.9
133.10173	12.1
135.11703	9.4
137.09637	2.4
137.13243	11.2
139.11183	23.6
140.08725	2.1
143.08540	2.9
145.10097	6.3
146.10460	2.6
147.11690	9.2
149.13240	25.5
151.11227	4.7
157.10178	2.8
157.12234	16.4
159.11703	5.3
161.09688	2.3
161.13251	4.6
163.14787	5.4
173.09547	2.2
173.13303	3.9
189.16441	4.6
203.12814	9.8
203.18008	3.8
213.12755	2.8
213.16513	2.6
221.19035	5.3
232.09477	2.9
237.18764	3.0
239.19954	3.1
287.23694	3.2
293.24814	12.9
305.24777	47.9
311.25812	3.6
315.13266	5.0
316.13876	7.6
317.14444	4.9
323.25943	23.6
343.09161	2.5
413.27026	3.2
431.27771	3.6
553.23956	3.6
589.15564	2.8
589.31970	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	589.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	7.6
55.01875	3.2
55.05510	29.6
57.03439	3.5
57.07080	6.8
58.75208	1.7
65.03954	2.3
67.05506	30.2
69.03433	20.6
69.07065	40.9
69.07415	3.3
70.06602	8.2
70.64734	5.2
70.65114	1.7
71.04993	4.9
71.08649	2.6
79.05492	22.1
81.03425	16.8
81.07059	100.0
83.05003	4.5
83.08622	12.8
85.02913	16.5
85.06539	20.8
86.09711	4.5
87.00845	6.0
91.05472	12.5
93.07047	46.2
95.04972	5.0
95.08608	73.8
97.02928	6.8
97.06508	10.6
97.10176	41.8
99.04453	4.8
99.08099	9.6
101.06020	2.2
105.01883	4.1
105.07034	21.2
107.08604	56.2
107.09312	4.1
109.02887	13.9
109.06542	4.7
109.10156	45.8
109.10839	3.7
111.08083	19.3
111.11733	4.5
117.07030	3.3
119.08569	15.8
120.08129	5.3
120.14310	2.2
121.06557	2.4
121.10153	38.3
123.04475	1.9
123.08112	4.8
123.11722	34.0
125.09628	15.7
127.03914	14.5
129.07045	2.2
131.08560	6.2
133.10132	12.8
135.08128	2.7
135.11708	22.3
137.09647	4.2
137.13280	17.6
137.72595	2.1
139.11153	9.3
141.09158	2.0
143.10654	10.8
145.04961	3.7
145.06445	1.8
145.10156	8.7
147.08109	2.9
147.11694	12.9
148.11250	7.3
149.09673	4.2
149.13271	49.0
149.14401	3.9
151.11229	6.8
151.14856	5.8
153.12706	5.1
157.10138	3.8
157.12270	5.5
159.11737	7.7
161.09677	3.2
161.13295	10.1
163.11201	5.5
163.14833	12.3
165.09137	3.0
165.12843	2.9
167.10696	3.3
167.14348	6.5
169.09985	2.1
169.12311	3.0
171.11671	2.5
173.13338	5.6
175.14868	7.9
177.12830	3.4
177.16446	5.9
179.14383	2.8
189.12787	2.3
189.16492	5.5
191.14403	3.8
191.17981	2.3
193.15958	2.3
195.13722	2.9
197.13319	3.7
199.14830	2.4
201.16504	2.1
203.17928	3.6
209.15434	3.1
213.04008	3.5
223.17036	4.5
227.14432	2.5
231.05032	4.1
231.17609	2.2
235.16911	4.0
249.18579	4.2
269.22736	3.7
275.23666	5.2
277.25146	2.9
287.23804	7.9
293.24847	10.2
305.24707	33.3
311.25858	3.5
323.25821	29.4
341.26950	3.9
413.26730	3.4
431.27777	4.7
499.80881	2.0
523.29010	3.1
553.30487	3.4
571.31415	2.6
619.00061	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.5
55.01860	5.2
55.05512	6.3
57.03423	4.0
61.02919	2.6
64.53517	1.3
67.05502	6.0
69.03085	2.0
69.03433	25.4
69.07074	43.1
70.06591	16.4
70.07401	7.6
70.84144	2.3
71.04981	2.9
72.08141	5.3
73.02910	2.9
79.05505	6.5
79.05868	1.1
81.03420	20.1
81.07068	6.8
82.03715	1.4
83.04973	1.5
84.04506	1.5
84.08137	3.6
85.02908	33.6
85.06530	3.5
86.09721	6.9
87.00844	12.4
87.04438	1.9
89.05494	2.6
89.06033	43.4
90.06355	4.8
91.05497	8.0
93.07037	7.3
94.04181	4.3
95.04953	4.1
95.08609	8.0
97.02892	11.5
97.06502	2.2
99.04484	9.0
103.05445	4.3
105.01901	7.3
105.03351	1.5
105.07040	10.3
107.04908	3.5
107.07053	1.7
107.08575	5.1
109.02882	15.1
109.06511	3.9
109.10144	4.0
111.08105	6.3
111.11736	6.8
112.12032	2.4
115.05450	3.7
117.01859	3.2
117.07033	2.3
119.08600	6.4
120.08087	4.4
121.06507	2.5
121.10167	5.2
122.03669	7.0
123.04395	1.7
123.08033	2.1
123.11741	2.0
125.09640	7.1
127.03932	23.7
128.06207	1.6
129.01834	1.2
129.07002	4.2
129.10219	2.9
131.04922	9.0
131.08511	2.2
132.05698	2.8
133.06488	2.7
133.08623	13.1
133.10141	4.9
134.08911	3.0
135.08047	2.4
135.11723	3.1
136.07553	1.6
137.05983	100.0
137.09752	1.9
141.06973	3.3
142.62823	1.2
143.08589	1.3
144.28711	1.5
145.05037	5.8
145.06392	1.3
145.10127	3.3
146.03668	1.5
147.04436	1.4
147.08035	5.1
147.11693	1.6
149.05939	1.5
149.13246	2.5
151.03992	1.6
151.07558	3.0
151.09602	1.9
151.11227	1.4
155.08563	4.6
158.07259	2.0
159.02888	7.3
159.08011	1.7
160.05177	1.9
161.05986	13.6
161.09639	1.8
163.07556	13.0
163.11157	1.5
167.07133	2.1
171.08176	1.3
171.30788	1.3
173.09624	10.7
175.07559	49.7
177.11194	7.1
178.11559	2.6
178.25775	1.4
179.10744	1.7
184.05197	1.5
186.06743	1.3
187.07492	7.1
189.09109	1.4
191.08565	2.1
195.12289	20.5
196.12643	9.2
197.11729	3.9
199.07541	17.1
201.09105	3.3
202.07764	5.5
203.08571	13.0
213.03889	1.5
215.08827	1.4
215.10661	2.3
217.08598	1.3
219.08026	5.2
220.08829	4.7
231.05066	3.3
231.08054	12.0
247.07553	5.0
248.08324	7.0
249.09090	3.3
251.10652	4.5
257.12924	2.1
259.07510	7.4
260.08328	4.1
261.09061	2.5
263.10709	7.1
271.09708	1.8
276.07843	6.4
277.08606	4.3
279.10086	3.2
285.12247	1.5
291.07004	2.4
291.10141	19.9
291.13184	2.4
292.10904	4.2
293.08273	3.3
295.13260	2.3
305.23190	27.9
306.20193	2.5
306.23587	44.8
308.10516	3.1
309.11185	1.5
311.12698	8.9
323.12796	38.9
323.24347	7.6
324.24557	12.5
325.14359	5.2
337.76770	1.4
341.13895	6.0
393.28696	1.9
545.29028	1.7
571.25098	1.4
589.26886	8.4
590.17639	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	588.3664
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38319	0.4
56.05036	0.7
58.06606	0.5
60.08170	6.8
69.18287	0.5
69.18609	4.6
69.91415	0.4
70.06573	0.5
70.21182	0.4
71.07385	2.6
71.64249	0.4
81.07044	0.5
84.08148	0.7
86.09711	28.9
96.92317	0.4
98.20679	0.8
98.98476	3.1
103.03989	0.4
104.10756	4.1
125.00014	21.4
158.90649	0.4
184.07356	100.0
258.11334	0.6
570.35333	1.1
588.36548	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	589.192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.1
54.49816	0.8
55.01863	1.9
57.03429	0.9
61.02919	1.2
64.43000	0.8
68.99775	1.5
69.03437	7.7
69.51128	4.3
70.06594	1.3
71.04996	1.0
73.02921	1.7
79.05497	1.9
81.03424	7.7
81.07047	1.7
85.02915	15.0
87.00845	6.6
91.05491	4.4
94.04180	3.6
95.04983	1.1
97.02898	5.4
99.04433	2.4
103.05489	1.2
105.01853	2.5
105.07045	5.0
107.04980	1.1
109.02901	5.9
109.06519	1.5
111.88143	0.8
115.05450	3.7
117.07028	1.2
119.08577	1.5
121.06518	0.8
122.03643	6.1
127.03925	11.7
128.06209	1.2
129.07007	1.7
131.04942	1.5
132.05733	2.0
133.06503	4.4
137.05989	100.0
145.04970	3.5
146.03635	0.8
147.04391	2.0
147.08067	3.6
149.06033	1.9
159.02882	4.1
159.08011	2.2
160.05173	1.5
161.06006	15.5
167.07051	1.1
167.28145	0.9
169.06473	0.9
171.08028	0.9
172.05243	1.0
175.07558	28.4
187.07579	9.0
189.07031	1.0
190.07744	2.4
191.08565	7.4
199.07558	7.2
202.07765	3.8
203.08629	7.5
205.06523	0.9
205.10272	1.1
217.08467	1.6
218.07283	2.2
219.08063	11.9
220.08806	3.0
221.09465	1.1
231.04964	1.7
231.08044	9.4
232.08830	1.5
235.07578	1.0
236.08350	2.8
237.09119	1.0
247.07518	3.4
248.08395	4.2
249.08975	1.2
251.10693	12.3
259.07578	4.7
260.08405	2.3
261.08923	1.5
263.08270	0.9
263.10687	4.8
264.07828	1.3
265.08578	1.5
276.07837	2.8
277.08627	2.7
279.10168	9.5
280.10837	1.3
291.10190	13.0
292.10907	2.2
293.08066	2.1
295.00916	0.9
296.10397	1.0
296.60809	0.9
308.10349	2.2
309.11221	0.9
311.12778	30.4
321.11169	1.1
323.12845	22.6
335.12708	1.9
341.13718	1.0
353.14072	1.6
390.18610	0.8
401.13818	2.0
589.27734	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.2
55.01871	2.6
55.05520	5.8
57.03425	1.8
57.07078	1.3
61.02895	1.1
65.59715	0.7
67.05499	3.2
68.99792	1.0
69.03138	0.7
69.03433	8.0
69.07072	68.0
70.06600	6.4
70.50542	2.5
71.04996	1.4
72.08144	2.7
73.02901	1.1
79.05498	1.4
81.03423	6.6
81.07092	6.5
81.07504	1.4
83.04980	1.4
83.08636	1.3
84.08134	2.6
85.02912	15.2
85.06530	1.3
86.09698	4.0
87.00838	5.1
87.04462	2.2
89.06037	69.5
91.05487	1.4
93.07043	1.5
95.04927	1.0
95.08598	4.1
97.02906	4.9
99.04462	2.6
105.01865	3.4
105.07034	1.0
106.07430	0.9
107.07082	3.6
107.08572	1.1
109.02872	4.5
109.10158	1.7
111.08083	1.1
111.11729	10.6
119.08580	1.0
120.08090	2.0
121.10103	0.9
122.03696	0.9
125.09631	2.4
127.03915	8.3
129.10201	0.9
131.04881	0.9
131.07159	0.8
133.08618	24.2
135.11635	1.2
137.06015	8.9
145.04915	1.3
147.02899	0.8
151.09694	2.7
157.10037	0.7
159.02917	2.3
159.09131	0.7
159.11499	0.9
163.07579	1.1
175.07596	2.5
177.11226	11.8
181.47124	0.7
187.07549	0.8
195.12292	42.4
199.07623	1.3
231.05093	1.1
231.08063	1.2
257.12897	0.8
303.05197	1.4
305.23245	100.0
306.23599	1.7
323.12811	1.8
323.24295	23.8
385.10812	0.8
426.11176	0.9
588.26324	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	587.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82783	0.6
53.03949	2.9
55.01874	1.7
55.05512	34.4
56.56563	0.6
57.03448	1.1
57.07054	0.8
57.38292	0.6
61.02919	1.3
64.78705	0.5
67.05507	4.2
68.99804	0.6
69.03426	5.8
69.07069	12.1
70.06584	1.3
71.04997	1.4
72.08147	0.5
73.02916	1.1
79.05485	2.6
81.03415	6.4
81.07061	11.8
83.08618	2.5
85.02905	8.8
85.06550	0.8
87.00832	4.3
87.04485	0.6
87.08108	1.0
89.99464	0.6
91.05483	2.0
93.07047	6.0
95.04974	0.9
95.08607	21.1
97.02878	2.7
97.06542	0.7
97.10172	100.0
99.04449	1.4
105.01869	1.8
105.07030	7.4
106.98613	0.7
107.08598	6.3
109.02892	4.1
109.10154	7.3
111.08085	0.8
119.08569	7.9
121.10178	3.0
123.11723	2.4
123.22748	0.5
125.08774	1.1
125.09633	17.6
127.03929	5.3
129.07047	0.7
131.08546	1.7
133.10146	3.6
135.11693	5.1
137.09631	1.0
139.11148	1.0
141.09137	0.6
143.10677	43.0
145.04974	1.9
145.10112	2.9
147.11650	3.2
149.09653	0.8
149.13232	3.9
151.11169	0.5
151.14815	4.3
153.09142	0.5
153.12750	0.6
157.10138	0.6
159.02879	2.5
159.11722	2.8
161.09665	0.6
161.13261	3.5
163.11227	1.2
163.14847	0.9
165.12793	1.6
169.10226	0.6
171.10181	10.4
173.13301	1.9
174.75023	0.6
175.14842	0.9
177.12758	1.5
179.14348	0.6
187.14789	2.5
189.11209	12.0
189.12660	0.8
189.16292	0.7
195.13850	0.8
213.03925	0.9
231.04991	0.6
231.17397	0.6
260.40997	0.5
267.21152	0.9
277.21710	1.6
285.22220	2.6
303.23154	11.1
309.24298	3.0
321.24252	34.3
339.25320	15.5
357.02759	1.1
411.25586	0.6
429.26474	0.9
524.62976	0.5
543.08844	0.7
551.27197	0.6
569.29431	0.8
587.07892	1.4
587.31335	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26533	0.4
53.05509	0.4
55.01875	0.8
55.05510	0.7
57.03411	0.6
60.71258	0.4
67.05491	0.9
69.03411	1.3
69.07054	1.5
70.06581	1.1
71.48280	0.6
72.01524	0.4
79.05489	0.6
81.03432	0.9
81.07055	1.4
83.08621	0.4
84.08124	0.8
85.02898	0.8
86.09686	0.5
91.05469	0.6
93.07033	0.9
95.04987	0.6
95.08595	0.7
97.02884	0.5
105.07014	1.0
107.08589	1.0
109.10140	0.6
119.04993	0.6
119.08604	0.8
121.02846	1.1
121.10107	0.8
122.06036	0.5
125.09631	1.8
133.10245	0.4
135.11716	0.6
137.02374	0.5
141.01837	0.7
145.10107	0.7
148.07619	0.6
159.11682	0.6
163.11243	0.4
165.01872	2.8
168.06526	1.0
183.02885	1.2
210.03239	0.4
225.10245	0.8
227.11917	0.7
243.11249	0.5
255.06509	1.3
255.11269	2.0
269.12848	1.1
271.05957	0.5
283.06030	100.0
284.06369	1.1
287.13684	0.6
297.12280	1.2
299.13574	0.5
315.13394	19.0
316.14304	1.0
339.12286	29.5
340.12708	0.5
416.36462	0.4
468.41608	0.5
587.17163	1.2
587.28888	1.9
589.35260	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.5
65.49009	0.5
67.05495	1.3
68.76167	0.5
68.99776	0.6
69.07072	33.1
69.45351	0.5
70.06580	0.7
71.24094	1.0
72.08164	0.6
77.03975	0.4
79.05479	0.8
81.03394	0.6
81.07037	1.8
85.02886	1.4
86.09663	0.5
91.05479	1.3
93.07049	0.9
95.08603	1.4
97.02899	0.5
103.05447	0.7
105.07019	1.3
107.08570	1.3
109.02851	0.6
113.39684	0.5
119.08560	1.0
121.02795	0.7
125.09663	0.6
127.03909	1.0
131.04918	1.8
147.04369	0.5
147.11572	0.6
149.02336	2.0
153.01842	4.3
159.04398	0.7
170.12596	0.5
187.07509	0.7
197.05998	0.7
199.07550	1.9
213.05507	0.7
215.07034	2.8
227.07037	2.1
237.05325	0.5
243.06569	2.0
253.04903	1.0
255.06508	10.2
271.06024	54.4
283.06015	62.7
339.12277	100.0
340.12616	1.2
422.20773	0.8
434.20410	0.9
501.17300	0.8
587.17511	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	0.2
53.00290	0.2
54.29151	0.2
55.01870	0.2
55.05502	0.4
57.03400	0.2
67.05476	0.4
69.03419	0.4
69.07034	0.3
70.06574	0.7
71.48669	0.4
72.08147	0.3
79.01858	10.5
79.05470	0.3
81.03413	0.5
81.07038	0.7
83.04990	0.2
83.81927	0.2
85.02891	0.5
85.06560	0.3
86.09682	0.3
91.05476	0.5
93.07015	0.6
95.04994	0.2
95.08575	0.6
97.02890	0.3
105.07024	0.5
107.04922	0.3
107.08597	0.4
109.02857	0.4
109.10166	0.4
119.08572	0.5
121.02878	0.3
121.10164	0.4
125.09631	0.5
127.03889	0.5
133.10101	0.3
145.06427	0.5
145.10144	0.3
157.06512	1.1
165.01857	0.7
181.06477	0.4
183.02902	0.2
185.06049	1.7
188.44408	0.2
199.07556	0.8
211.03856	0.5
213.05447	2.5
221.72691	0.2
227.06993	0.2
241.04979	2.9
255.06537	1.1
255.11243	0.2
259.06052	7.9
271.06128	1.1
283.06024	100.0
284.06372	1.6
297.07532	0.3
315.13321	2.2
339.12289	70.7
340.12555	1.1
351.12317	0.2
475.18259	0.2
501.17673	0.6
587.17468	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96301	0.8
56.96566	11.4
66.77613	0.4
69.78073	2.4
70.06589	0.6
71.95263	1.1
84.08111	0.6
84.96044	3.6
85.02885	1.3
89.03917	1.0
94.79545	0.4
97.02885	0.6
98.97588	100.0
100.00211	0.4
101.00893	1.7
110.97570	8.0
112.99121	1.6
113.00850	0.9
115.02485	0.6
115.33670	0.5
116.98626	33.1
117.03296	0.5
119.01926	2.0
124.99126	1.1
127.00670	1.2
128.98607	6.8
129.02242	1.0
131.00200	1.4
131.01923	1.6
131.05551	0.5
133.03496	0.5
134.99651	4.7
135.04382	1.0
140.00221	0.7
140.98598	1.0
143.00195	2.5
143.01892	3.7
144.98074	0.7
145.01704	2.3
145.03581	0.7
146.99677	2.3
147.03279	3.4
147.05113	2.1
149.01257	0.5
152.98630	1.4
155.01926	2.5
155.05571	0.5
158.99663	45.5
159.05048	0.7
161.01271	1.5
161.02957	2.7
163.02725	1.5
163.03902	6.5
165.04362	1.4
165.06226	0.5
170.99686	3.5
171.03319	5.6
171.04926	0.9
173.02971	1.6
173.06624	1.5
175.02806	0.7
177.00726	26.9
181.08958	0.4
182.99605	0.6
183.05072	0.5
185.03024	0.5
185.06587	1.5
187.02750	0.7
189.00720	1.5
189.04388	12.0
189.06067	2.2
193.03871	0.6
195.01910	0.7
197.02988	0.5
200.02466	0.7
201.00645	2.3
201.04495	0.5
201.06070	2.4
203.04079	0.7
203.07692	0.9
203.26228	0.5
205.03833	0.8
207.05408	1.9
219.01781	15.1
221.05136	1.5
225.06148	0.5
231.05370	2.9
237.00682	0.5
237.02829	14.7
243.01778	0.5
245.05066	1.2
249.06596	0.8
255.01729	0.7
261.02881	1.4
273.02872	0.8
275.09851	1.0
289.05756	0.7
291.07199	18.1
293.10837	3.3
305.07651	0.7
307.06879	0.8
309.08548	51.4
332.10251	1.5
335.06506	0.8
335.10294	0.6
353.07669	1.2
361.08072	2.7
363.09613	19.7
365.09772	0.5
389.07687	1.5
407.08453	3.7
453.12039	1.1
471.11804	63.8
472.12051	0.8
569.12866	0.9
587.14038	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.0
53.06749	0.6
54.66500	0.6
55.01867	1.7
55.05517	18.6
57.03433	1.5
57.07077	8.1
57.60369	0.7
59.04999	10.5
61.02909	1.3
64.46142	0.7
67.05511	4.2
69.03436	7.8
69.06732	1.2
69.07072	12.2
70.06584	3.0
71.04975	1.7
71.08622	1.6
71.48431	0.8
72.08154	1.1
73.02917	1.0
79.05483	1.6
81.03421	7.6
81.07063	10.9
81.50292	0.8
83.08625	43.9
84.08146	1.3
85.02914	17.3
86.09708	2.7
87.00831	7.6
87.04476	36.0
89.06039	19.1
89.81887	0.8
91.05490	1.1
93.07043	2.5
95.04988	1.1
95.08611	7.1
97.02893	7.4
97.10171	15.2
97.61643	0.6
99.04458	3.0
103.03948	60.1
103.07586	8.7
105.01862	3.3
105.07024	2.2
107.07066	12.2
107.08576	1.5
109.02879	6.3
109.06525	0.7
109.10162	2.1
111.08073	0.8
117.01875	1.0
119.07064	35.1
120.08117	0.9
121.06484	1.1
121.10124	1.1
127.03917	9.5
131.08502	0.8
133.10158	0.8
133.45581	0.7
137.09610	0.8
137.13206	1.3
139.14809	1.2
145.04956	2.8
147.06532	21.2
151.14890	1.1
153.01859	1.0
155.14262	4.0
157.10043	0.9
157.15866	1.4
159.02948	3.5
165.07603	41.5
183.79269	0.7
187.16925	0.9
201.18507	2.5
212.99109	0.7
219.19521	5.7
224.37950	0.8
231.05141	1.7
275.22263	3.1
285.54807	0.7
303.21680	17.7
321.22723	100.0
337.10535	0.9
338.11136	2.1
559.93896	0.7
586.31433	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4518
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91055	3.2
53.03933	9.1
55.05518	33.7
57.03447	6.9
57.07074	9.0
61.56079	3.4
62.82369	2.9
67.05510	55.7
69.07083	27.7
70.37282	3.0
71.49078	3.1
72.13432	3.2
78.89557	3.0
79.05494	38.9
81.07058	63.6
83.08619	15.5
85.06554	4.0
89.06055	4.8
90.53844	3.3
91.05482	35.5
93.06572	4.7
93.07053	51.1
95.04987	3.4
95.08065	5.9
95.08618	64.3
97.06522	6.8
97.10164	9.7
105.07025	33.7
107.08583	30.6
109.06565	3.7
109.10152	26.1
117.07018	16.8
119.08587	29.3
121.10151	26.8
123.11707	6.9
124.10047	3.9
131.08589	31.2
133.10141	17.6
135.11679	13.8
137.13266	6.6
143.08571	9.3
145.10158	24.5
147.11711	17.1
149.13269	6.2
157.10095	7.3
159.11700	19.2
161.13249	9.0
171.11674	5.8
173.13263	13.6
175.14833	6.4
185.13327	8.7
187.14787	6.1
199.14951	4.3
201.16397	3.6
213.16365	3.9
215.17957	6.5
259.20474	4.3
261.22095	8.9
307.22675	7.7
309.24030	3.8
312.29471	3.7
335.25858	8.3
354.33334	3.4
377.24921	3.6
442.57193	3.2
493.40259	7.5
511.41339	5.8
567.43860	13.7
585.45166	100.0
585.55206	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	585.2713
Annotation	kirkinine D
Peak:m/z	Relative Intensity
55.05501	2.2
57.07076	2.2
59.70614	1.0
67.05500	4.6
69.07066	2.3
71.08630	2.0
71.49177	2.0
73.02984	0.9
79.05502	3.9
79.74103	0.9
81.07061	5.9
83.08615	1.9
87.56357	1.0
88.07628	1.1
89.06034	5.5
91.05490	4.6
93.07049	2.8
95.08595	4.4
97.10179	1.5
105.07028	4.9
107.08592	3.9
109.10178	2.6
119.08581	5.9
121.10138	2.8
123.11665	1.3
131.08582	3.3
133.08623	3.6
133.10135	3.7
135.11755	2.1
145.10109	2.9
147.11673	2.4
151.07602	1.2
161.13248	1.8
173.13387	1.5
175.14871	1.3
177.11281	1.7
223.12462	1.5
261.13977	2.7
275.19974	1.4
279.15137	1.6
300.29034	2.7
309.24329	2.0
311.29532	4.5
340.17661	1.5
353.17740	4.2
354.18604	2.0
363.16187	1.5
367.19189	2.7
368.20087	2.9
369.20984	2.1
377.17474	2.0
379.19263	3.2
381.20984	1.9
383.22244	1.8
393.20865	2.5
424.19058	1.2
425.19879	5.0
437.19666	3.1
438.20493	4.5
439.21378	11.3
441.23166	2.1
451.21619	2.7
452.22171	3.1
497.25766	2.2
512.24219	1.5
514.26471	2.4
525.25031	31.7
557.27875	1.5
584.56134	6.2
585.27124	100.0
585.45538	5.0
585.56647	3.1
586.27496	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	585.2361
Annotation	Magnesium protoporphyrin
Peak:m/z	Relative Intensity
55.05506	2.3
57.07065	3.1
67.05502	3.3
68.05796	0.8
69.03427	1.3
69.07066	1.0
70.06589	2.3
70.88850	1.5
71.08625	1.0
79.05489	3.3
81.07076	4.2
83.95799	0.7
91.05495	4.8
92.05792	0.8
93.07056	6.0
95.04967	1.5
95.08630	4.8
96.08916	1.7
105.07046	7.5
106.07329	1.2
107.08603	4.8
109.06515	1.2
109.10197	1.6
117.07063	1.9
118.95575	0.7
119.08585	8.4
120.08911	1.2
121.10140	3.4
122.10503	1.0
123.08056	3.0
128.06192	1.0
128.29736	0.7
129.07027	1.3
130.86543	0.8
131.08591	3.6
133.10156	3.5
134.10507	1.0
135.08011	1.6
137.09570	1.6
142.07774	1.6
143.08499	2.8
144.08990	1.0
145.10153	4.2
146.10466	1.7
147.08069	1.8
147.11699	2.1
148.12259	0.9
151.07573	1.7
155.08560	1.3
156.09236	1.0
157.10146	5.1
158.10605	1.5
159.08127	1.0
159.11708	2.0
161.13309	1.2
165.09148	2.7
166.09450	1.6
169.10057	1.6
170.10756	1.2
171.11696	1.9
172.12000	1.2
173.13275	2.4
175.11237	1.4
175.14827	1.1
177.12819	1.1
179.08638	0.8
181.10115	1.9
182.10625	1.0
183.11694	2.6
184.12140	1.1
185.13274	2.1
186.13605	1.4
187.14908	1.8
194.10738	1.0
195.11737	2.2
196.12265	0.9
197.13309	1.8
198.13643	1.6
204.14740	1.3
207.11749	1.2
207.13773	0.9
209.10800	0.8
209.13252	2.2
211.14700	1.6
219.09348	0.9
221.10948	1.0
221.13348	1.4
221.15410	3.9
222.11406	1.2
222.13850	0.8
222.15804	3.2
223.12344	1.8
223.14598	0.9
224.15080	1.3
233.10776	1.0
233.12993	0.9
235.12321	2.4
235.14619	1.0
237.13852	2.6
249.13986	1.4
251.11818	1.9
251.15657	1.8
255.17465	1.1
256.26370	1.3
261.13922	2.6
262.14758	1.5
263.11880	0.9
267.15094	0.9
277.13129	0.8
279.14957	2.1
283.26273	1.2
288.15323	0.8
300.28931	3.0
311.29654	2.8
314.16522	1.1
324.14767	0.8
325.14801	1.2
326.16592	1.3
328.17896	1.0
336.14789	1.0
337.15244	1.3
338.16138	1.2
339.16275	2.0
340.17435	1.6
342.19659	1.0
348.14743	0.7
350.16623	1.2
351.16290	1.3
352.17587	2.1
353.14090	0.8
353.17609	4.7
354.18655	3.7
355.19180	1.1
358.19171	1.0
363.16235	1.0
364.17456	1.2
365.17804	2.5
366.19040	1.1
367.15356	1.4
367.19434	2.5
368.20398	1.5
369.20837	9.7
375.16040	1.1
377.18018	1.0
378.19330	0.9
379.19528	5.5
381.17169	2.5
381.21100	2.0
382.18018	1.5
386.19183	0.7
391.19315	2.1
394.18167	1.6
395.18423	3.6
395.23059	1.1
396.19308	2.2
397.20264	7.1
398.22125	2.7
405.16757	1.0
407.18616	1.3
408.20587	3.1
409.20490	5.3
410.21426	8.4
411.17789	1.4
411.22415	1.4
412.20349	1.6
419.18677	2.2
420.19672	1.6
421.20322	2.1
423.21844	2.5
424.23087	1.3
425.19644	7.6
425.23642	7.4
430.21436	1.1
435.22064	10.3
437.19812	3.0
438.20856	3.5
439.21521	1.4
441.23270	1.3
442.23590	2.6
448.18640	1.0
451.21509	6.3
452.22064	3.6
453.23346	20.4
454.19672	1.1
455.20682	2.0
462.20251	0.9
463.21674	3.5
465.19351	1.1
469.22507	1.9
470.23416	4.7
479.20789	2.0
481.22461	30.8
483.20627	1.2
497.21713	4.8
498.22675	46.2
499.23328	1.0
507.20166	1.5
525.21326	26.4
526.21625	1.3
539.22833	1.1
548.40509	0.8
566.40900	2.3
567.21881	1.6
567.40808	3.0
568.20844	1.9
584.42096	6.6
584.56073	11.7
585.23450	100.0
585.42975	7.3
585.56201	4.2
586.23688	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.1
55.01877	4.1
55.73778	1.0
65.34032	1.0
67.05496	1.7
67.67091	0.8
68.99783	2.3
69.03431	1.8
70.06597	10.7
71.48283	1.0
72.08153	2.2
77.03928	1.0
84.04501	1.2
84.08150	7.8
86.06076	1.9
86.09695	2.8
91.05457	4.1
95.04977	1.6
100.11247	1.0
105.03379	2.5
107.04900	1.0
110.07179	1.3
111.04388	1.0
112.21256	0.9
115.05472	1.7
116.07093	1.2
119.04949	8.8
121.02872	1.2
123.04434	90.8
129.07051	1.1
129.10239	4.7
131.04945	1.1
131.08565	1.2
133.02910	1.2
135.04439	2.6
137.02341	10.1
139.03909	8.7
141.06995	5.5
145.02884	1.0
145.06572	1.3
147.04416	28.5
149.02299	1.3
150.03114	3.5
151.03915	1.0
155.04924	3.6
157.02837	0.9
157.06546	1.1
159.04344	1.3
159.08038	1.2
161.06003	11.7
163.03940	3.9
165.05487	9.8
169.05244	0.9
169.06502	6.2
171.04433	1.1
171.07666	0.8
173.06038	5.1
175.03902	14.3
177.05424	1.8
181.06476	2.1
183.04462	4.7
185.05991	2.8
187.03860	2.3
187.07587	1.9
189.05476	14.3
193.05003	6.0
197.06003	9.8
197.15292	1.0
199.03979	2.6
201.05489	22.0
203.01477	1.6
203.03401	25.6
203.06938	0.8
209.06041	0.9
211.03917	6.2
213.05453	3.8
215.03357	1.7
215.07054	4.8
217.04964	3.6
223.03876	1.0
225.05463	6.7
226.06084	1.3
226.15393	1.1
227.03346	2.5
227.07182	1.0
229.04947	11.2
231.06540	2.3
233.04465	1.6
235.04161	1.0
237.05443	2.5
239.03395	2.8
239.06976	0.9
241.05104	4.6
243.06581	11.5
245.04391	5.4
247.05890	1.3
253.04988	11.7
255.06516	5.9
257.04477	15.8
259.05966	1.6
265.05075	2.4
267.06644	1.1
269.04459	4.7
271.06021	46.8
273.07559	3.0
275.05606	1.3
281.04456	17.0
283.05945	6.8
295.05838	1.0
299.05508	100.0
300.05823	1.8
303.26709	1.0
311.05515	31.2
323.05457	2.7
329.06369	2.0
341.06396	1.0
377.10254	1.1
381.09586	3.0
391.08060	3.2
405.09708	6.9
409.09149	5.5
415.07541	1.5
423.10709	16.5
433.08090	20.5
451.10297	4.0
520.98358	1.1
585.34106	1.7
586.14972	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.0
55.05505	9.9
57.07078	17.4
59.05000	4.1
63.16557	2.2
67.05515	16.8
69.03439	5.4
69.07072	10.8
70.06604	3.3
70.16096	2.1
71.08640	4.4
71.49285	2.8
79.05497	19.8
81.07056	26.0
83.04974	4.4
83.08652	6.7
85.06564	3.4
85.10217	2.5
89.06042	20.7
91.05482	43.5
93.07050	38.6
95.04994	7.0
95.08614	26.6
97.06548	4.7
103.05533	2.7
105.07035	60.3
105.07691	4.0
106.07883	2.5
107.08604	31.0
109.06539	7.7
109.10169	11.5
115.05466	3.1
116.06264	2.3
117.07018	17.8
119.04955	2.0
119.08586	77.5
120.09386	3.9
121.06522	4.6
121.10161	24.3
123.08060	11.1
123.11696	5.6
125.06023	4.4
125.09641	3.7
128.06261	5.7
129.07004	17.3
130.07791	6.4
131.08585	37.8
133.06528	4.3
133.08624	11.1
133.10144	34.9
135.08093	11.1
135.11681	12.8
137.09665	9.3
139.07625	2.9
141.06998	7.1
142.07791	17.5
143.08574	33.8
144.09332	13.0
145.10127	50.0
145.11165	3.9
147.08041	19.0
147.08943	1.9
147.11722	14.3
149.09659	7.6
149.13254	3.1
151.07584	7.1
151.11214	2.9
153.07021	3.4
155.08556	15.2
156.09357	16.4
157.10138	48.5
158.10925	7.7
159.08076	6.0
159.11691	24.8
160.08841	5.2
161.09639	6.0
161.13261	7.0
163.09952	2.5
163.11119	9.9
165.06979	4.8
165.09146	24.1
167.08534	6.8
168.09377	4.4
169.10109	17.2
170.10928	9.4
171.11696	28.4
172.12482	8.8
173.09650	3.1
173.13261	20.7
175.11186	12.0
175.14856	9.6
177.11325	4.2
177.12732	3.9
179.08575	6.3
181.10129	13.4
181.12241	9.9
182.10951	7.9
183.11745	23.8
184.12355	3.5
185.13281	17.2
187.11218	3.4
187.14835	7.5
187.57365	2.3
189.12807	7.5
190.13525	6.7
191.10675	3.2
191.14317	3.1
192.09341	2.6
193.10181	5.9
193.12245	7.4
194.10954	6.7
195.11728	15.4
195.13507	2.4
196.12459	4.1
197.13234	16.4
198.13945	3.0
199.11209	4.3
199.14897	7.2
201.12785	2.8
201.16313	3.2
203.14276	15.2
207.11707	6.2
207.13858	7.7
208.12709	4.8
208.14622	9.3
209.13286	16.9
210.14084	3.9
211.11157	4.2
211.14882	8.7
212.15707	3.2
213.12956	2.6
217.15984	3.7
219.11885	4.2
219.13832	4.6
221.13319	8.1
221.15356	59.7
223.11295	2.9
223.14810	10.0
225.16486	6.8
227.14320	3.8
233.13194	6.1
233.15402	4.0
234.14136	3.0
234.16216	9.3
235.14857	5.9
236.15562	2.8
237.12790	5.3
237.16327	6.8
238.17044	2.8
239.17844	2.4
241.15776	3.0
247.14757	3.7
247.16913	10.6
249.16425	5.1
251.14253	2.8
253.15782	3.2
255.17430	2.4
256.26077	2.1
259.14688	3.3
263.18210	3.4
265.16010	2.3
271.16968	2.5
271.20569	2.9
277.19409	3.0
281.19055	4.6
283.26437	3.0
286.19318	2.7
296.21262	2.7
297.22333	2.7
299.20178	13.6
300.29010	2.8
309.18442	2.3
311.19897	2.8
311.29462	6.5
312.20877	4.2
312.24466	4.7
319.20575	3.1
325.21640	10.6
337.21786	7.0
352.23984	72.8
353.24506	3.9
365.24731	11.8
371.22687	5.0
383.25842	4.2
398.28174	7.9
399.29102	2.7
404.30875	5.6
412.29672	18.9
425.30737	7.7
438.31183	13.4
489.33694	7.4
491.35391	9.8
492.35608	6.7
500.02997	2.2
504.36008	100.0
584.42285	22.1
584.55933	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	584.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	6.0
55.01894	5.2
55.05505	16.5
57.07081	19.6
59.04976	4.4
64.65229	4.4
67.05503	21.1
69.03429	9.8
69.07070	15.7
70.06689	20.5
71.05005	6.7
71.08627	5.5
71.43885	3.7
79.05499	31.9
79.05898	4.8
79.17406	3.8
80.06284	10.0
81.07068	47.4
83.04999	5.8
83.08604	7.6
85.06535	6.7
88.07634	3.8
89.06034	38.7
91.05487	60.1
93.07054	54.6
95.04975	25.5
95.08621	33.1
96.05705	4.2
97.06557	6.4
105.07040	100.0
107.08598	54.2
108.08926	4.8
109.06532	9.3
109.10169	24.6
115.05479	7.0
117.07021	26.0
119.07804	8.2
119.08591	94.4
119.09380	7.9
120.08961	6.5
121.06503	7.0
121.10152	31.6
123.08076	38.0
123.11693	4.8
125.09658	5.1
128.06216	10.2
129.07021	13.1
130.07806	13.3
131.08568	45.1
132.09360	6.0
133.08620	29.6
133.10143	52.2
135.08046	9.8
135.11702	14.3
137.09612	5.6
138.10381	6.0
139.11246	5.0
141.06969	9.3
142.07787	23.0
143.08586	54.9
144.09378	12.7
145.09047	3.8
145.10132	93.9
147.08023	9.0
147.11661	24.1
153.07007	4.5
155.08553	21.1
155.10703	6.5
156.08224	4.1
156.09308	24.3
157.10146	57.7
158.10866	15.9
159.11684	40.3
160.08821	6.8
161.09621	12.4
165.06970	7.1
165.09140	11.9
167.08585	9.9
169.10106	26.2
170.10829	8.1
171.11726	42.9
172.12306	4.5
173.13335	24.3
175.11174	6.3
175.14848	13.5
177.11259	6.8
179.08609	9.4
181.10139	17.1
182.10907	9.3
183.11673	24.0
185.13274	19.7
187.14774	7.7
191.14273	5.4
193.10217	9.4
194.10986	9.8
195.11723	27.4
196.12430	8.4
197.13329	28.4
198.13748	6.9
199.14896	14.4
206.11003	7.4
207.11711	12.2
208.12387	6.2
209.13264	23.2
210.13716	6.1
211.14816	13.3
213.16457	8.3
219.11807	5.9
221.13254	12.6
221.15486	12.3
222.15764	8.8
223.14853	15.8
225.16444	9.7
231.11882	5.2
233.13254	7.0
236.15471	5.1
237.16394	5.8
239.17937	5.7
245.12979	5.6
251.18117	6.2
283.26419	4.3
300.28989	6.6
311.29419	9.9
350.26154	5.2
371.22964	10.2
393.32007	4.2
446.31717	6.9
492.35605	20.9
508.59219	4.5
584.26007	5.0
584.41870	42.4
584.56165	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	584.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	2.1
53.03949	5.3
55.05514	12.3
57.06832	2.1
57.07078	13.7
65.03955	2.6
67.05513	24.3
69.03429	5.6
69.07066	13.1
69.13767	2.0
69.14111	21.8
70.06590	2.6
71.08630	3.0
78.34277	1.7
79.05498	23.9
81.07060	34.7
83.04988	6.1
83.08651	5.1
85.06545	5.1
87.42392	1.6
88.07603	1.9
89.06052	3.7
91.05487	38.0
92.05824	2.9
93.07048	49.8
94.07374	4.6
95.04973	9.3
95.08616	37.8
96.08934	2.9
97.06535	5.0
98.20800	4.2
103.05466	3.8
105.07037	60.0
106.07378	6.4
107.05016	3.0
107.08602	40.2
108.08943	2.6
109.06538	5.5
109.10159	18.3
110.10548	2.7
115.05450	3.9
117.07032	17.7
119.08584	71.6
119.25635	2.0
120.08916	3.9
121.06522	5.8
121.10147	34.1
122.10493	3.7
123.08073	13.2
123.11713	5.9
124.08416	3.4
125.09632	4.1
128.06250	9.1
129.07031	15.1
130.07779	5.8
131.08578	33.0
133.06500	3.2
133.08646	2.1
133.10135	38.1
134.10474	3.0
135.08073	12.9
135.11685	10.1
137.09633	8.7
138.10109	1.8
139.11156	2.7
141.07016	7.8
142.07788	16.6
143.08582	34.2
144.09325	9.6
145.06506	2.0
145.10146	46.2
146.10503	5.1
147.08069	14.8
147.11726	16.8
148.08405	2.2
149.09631	12.8
149.13330	3.6
151.07556	12.6
151.11234	2.6
152.07892	4.8
153.07004	2.8
154.07758	3.0
155.08554	12.0
156.09348	16.6
157.10161	43.7
158.10654	10.1
159.08061	11.0
159.11723	31.6
160.12282	3.8
161.09634	10.9
161.13257	10.4
163.11232	8.2
165.07005	5.2
165.09154	18.8
166.08041	2.6
166.09398	9.2
167.08638	7.3
167.10735	3.4
168.09325	3.9
169.10133	20.0
170.10818	7.4
171.11671	25.9
172.12184	7.0
173.09663	4.2
173.13245	19.1
175.11211	6.1
175.14825	14.7
177.12799	3.4
179.08539	9.9
180.09360	4.1
181.10156	10.8
181.12102	1.8
182.10941	6.6
183.11746	19.2
184.12361	6.3
185.09727	2.1
185.13266	18.7
186.13814	6.3
187.11209	4.7
187.14850	10.3
189.12766	7.1
191.14317	2.1
192.09299	3.8
193.10144	9.2
194.10835	9.7
195.11693	18.1
196.12378	7.5
197.13283	16.4
198.13806	3.5
199.11198	5.5
199.14854	8.3
200.15416	2.2
201.12762	4.9
201.16414	3.6
203.14294	10.2
204.14636	5.0
205.10201	3.0
206.10936	4.9
207.11723	11.9
207.13643	3.8
208.12379	4.9
208.14259	2.6
209.13248	17.4
210.13916	6.9
211.14749	10.7
212.15359	2.4
213.12759	4.3
213.16399	4.9
219.11681	3.5
219.17485	5.1
220.12454	3.5
220.17862	2.4
221.13309	9.3
221.15456	29.1
222.13812	3.8
222.15785	14.9
223.14757	11.9
224.15416	2.4
225.12891	4.4
225.16425	6.0
231.11809	3.2
233.13232	5.5
233.15466	9.1
234.13840	2.8
235.14822	7.1
236.15565	4.9
237.16490	7.3
238.17104	2.7
239.18004	7.1
245.13287	4.8
246.13916	2.3
247.14890	3.7
248.15227	3.0
249.16422	5.5
251.18095	3.1
252.18578	2.2
253.15799	4.1
255.17436	15.3
256.26398	2.4
257.19113	4.9
259.14896	2.8
260.15463	2.7
261.16437	4.1
263.14154	2.2
263.17996	4.4
265.19516	5.3
266.20181	3.1
269.19119	6.4
270.19714	3.6
271.20575	2.7
272.21307	2.4
273.16287	2.8
275.17691	2.1
277.19519	3.4
279.21109	3.3
281.19028	4.0
283.20303	3.1
284.21445	2.2
285.22253	2.6
287.20197	2.7
291.21109	3.8
295.20529	3.3
296.21143	3.3
297.22174	4.5
300.28961	6.4
303.21097	2.3
311.29520	7.8
315.20807	2.7
321.22070	2.4
327.21231	2.1
347.23627	5.5
349.25131	3.4
360.24411	2.5
365.24991	3.3
375.26752	2.9
376.27231	3.8
403.30258	5.0
404.30508	6.1
446.31467	2.3
453.22995	2.3
481.03012	2.0
481.22659	4.0
492.35889	6.7
496.20862	2.5
498.22958	4.0
525.21808	2.9
566.40808	27.9
584.41895	100.0
584.55743	22.8
585.23694	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	583.415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	16.8
57.07059	6.1
65.03938	7.0
67.05509	25.0
69.03421	7.5
69.07072	23.1
69.53392	20.8
79.05492	26.3
81.07063	35.3
83.04982	3.7
83.08595	14.6
84.08936	3.1
85.06548	3.9
87.63670	3.5
91.05478	41.8
93.07045	67.7
95.04985	7.6
95.08601	38.7
97.06538	9.8
105.07030	59.5
107.08598	43.3
109.06517	7.0
109.10155	30.4
111.11741	5.3
113.09608	5.0
115.05435	5.4
115.17920	3.2
117.06979	14.9
117.07786	3.3
119.04979	6.2
119.08582	82.0
121.09328	6.1
121.10142	77.2
123.08090	9.3
123.11697	11.4
125.09603	4.6
128.06233	16.1
129.06966	14.1
130.07774	5.1
131.08604	26.1
133.10127	45.3
135.08047	4.6
135.11665	17.8
137.09578	7.3
139.11186	4.5
141.07014	4.6
142.07803	17.5
143.08563	35.5
144.09296	7.4
145.10133	51.3
147.08005	8.2
147.11668	12.6
149.09592	12.7
154.07779	4.1
155.08514	10.5
156.09351	10.7
157.10124	46.5
158.10892	4.3
159.08060	4.4
159.11664	25.8
161.09668	5.0
161.13200	4.9
165.07037	6.5
165.09131	9.4
167.08539	7.7
167.10681	100.0
168.09361	8.3
168.10898	3.4
168.89322	4.0
169.10127	22.2
170.10776	6.4
171.11694	21.7
173.13252	13.8
175.14804	14.7
176.13885	3.4
176.15237	3.6
179.08557	12.5
180.09241	4.3
181.10081	9.4
181.12207	5.1
182.10928	5.3
183.11671	23.9
184.12361	4.8
185.13211	9.7
187.11198	3.7
187.14839	8.8
191.14319	4.2
192.09254	3.6
193.10008	7.2
194.10818	7.7
195.11685	16.4
196.12350	4.5
197.13242	19.6
199.14856	5.9
201.16289	5.3
203.14192	4.6
206.10812	5.7
207.11682	9.5
207.13658	4.0
208.12346	6.6
209.13264	20.2
210.13882	5.4
211.14868	8.4
213.16327	4.9
215.14377	5.0
219.11665	11.1
219.13705	3.5
219.17453	4.2
220.12495	4.6
221.13120	10.1
221.15378	15.6
222.14005	5.0
223.14810	9.3
225.16437	3.6
231.11702	4.6
233.13417	5.8
233.15366	14.3
235.14847	9.7
237.12633	3.6
237.16277	6.4
239.17888	5.1
240.53052	3.4
245.13203	8.9
247.14821	7.7
247.17076	4.4
251.17999	4.1
261.16440	4.3
263.17822	3.4
265.19443	5.7
275.17773	4.3
283.20535	3.6
289.19324	3.8
311.20117	16.6
342.66089	3.6
349.25021	4.1
351.23129	5.1
361.24969	4.6
377.24728	7.9
463.21039	3.7
464.09222	3.4
475.24326	4.2
491.34885	13.0
523.23328	3.7
525.21252	5.1
565.40045	11.9
583.25287	11.0
583.41522	61.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.2
55.05507	5.5
57.07072	5.7
59.04998	2.0
59.65141	1.1
65.03971	1.4
67.05522	12.3
69.03440	4.3
69.07073	5.8
79.05496	11.0
81.07064	14.3
83.08622	4.3
85.06538	3.1
91.05482	16.6
93.07049	23.9
95.04979	3.2
95.08614	24.6
97.06532	2.9
98.36051	1.2
103.05447	2.5
105.07040	31.7
107.04949	3.8
107.08604	17.0
109.06527	5.1
109.10170	8.7
111.08105	1.4
113.09660	1.9
115.05471	2.9
117.07015	6.2
119.08585	29.7
121.06525	4.5
121.10159	19.4
123.08089	13.4
123.11742	3.4
125.09715	1.6
128.06256	3.3
129.07039	6.4
130.07797	2.1
131.08583	12.2
133.10144	16.3
135.08073	7.1
135.11705	5.8
137.09622	7.8
141.06993	2.5
142.07802	7.0
143.08583	14.7
144.09373	2.2
145.10139	18.1
147.08061	16.1
147.11731	6.0
151.07536	16.7
153.09143	1.5
155.08586	5.8
156.09431	6.3
157.10135	20.7
158.10896	2.6
159.08192	1.7
159.11713	10.2
161.09673	3.6
161.13281	4.4
163.11215	3.6
165.09122	25.9
166.07913	1.8
167.08598	4.2
168.09410	3.7
169.10162	11.5
170.10913	4.5
171.11691	15.6
173.13258	10.4
175.11208	1.9
175.14822	3.2
179.08586	3.9
180.09396	2.8
181.10138	7.3
181.12244	3.0
182.10985	4.4
183.11699	9.8
185.13272	10.3
187.11351	1.7
187.14862	3.6
189.12799	4.9
191.08798	1.5
191.14336	2.7
193.10152	5.3
194.10942	4.4
195.11673	7.8
196.12445	3.1
197.13258	9.5
199.11212	2.4
199.14876	3.5
201.12688	1.8
201.16522	1.6
203.14328	15.0
205.10312	1.7
206.11102	1.7
207.11719	5.7
207.13821	5.1
208.12592	2.2
209.13243	10.1
210.14044	2.6
211.14793	7.7
213.12764	1.4
213.16434	3.4
214.40570	1.3
215.14372	1.3
219.11670	2.1
219.17494	1.5
220.12459	2.5
221.13284	6.8
221.15350	57.6
222.14037	2.9
223.14902	7.1
224.15643	1.6
225.16391	2.4
231.11777	1.6
231.17480	3.1
233.13301	4.2
233.15463	2.8
235.14790	6.9
237.16310	2.2
239.18002	2.9
245.13235	2.0
246.14099	1.8
247.14851	2.8
249.16400	4.5
251.17934	3.0
257.19168	2.0
259.14658	1.6
260.15552	1.4
261.16257	2.7
263.18076	2.1
265.19513	3.2
269.18994	1.7
271.20532	2.2
273.16345	2.3
275.17719	2.5
277.19687	2.7
279.21219	3.7
281.19199	1.8
283.20673	3.5
287.20236	3.2
295.20697	4.2
297.22189	3.8
299.20169	2.3
301.77377	1.7
305.17673	1.5
309.22507	1.5
333.22128	1.4
347.23831	2.2
349.25476	2.4
352.23837	2.0
357.25925	2.6
365.24704	2.7
366.23608	1.8
375.26935	5.7
403.29980	12.1
491.34940	3.7
496.21268	1.7
503.35385	5.4
509.34674	2.4
547.39178	3.5
565.40381	28.2
583.41492	100.0
584.41589	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.9
54.86516	1.6
55.05517	12.2
56.76648	1.7
57.07066	6.9
59.04969	2.8
63.54288	1.6
67.05508	17.6
69.03424	5.8
69.07074	16.2
70.35951	2.1
70.54188	4.1
70.54520	2.8
77.03915	2.4
79.05497	22.2
81.07064	26.3
83.04996	6.0
83.08606	7.1
85.06553	5.4
87.58670	1.7
91.05485	29.5
93.07047	45.5
95.04983	6.8
95.08607	32.1
96.15092	1.7
97.06509	4.6
98.20833	2.3
103.05460	2.7
105.07034	49.8
107.07451	1.8
107.08596	39.8
109.06521	6.6
109.10159	18.0
111.08056	3.7
115.05449	4.9
117.07022	12.3
119.08585	61.6
121.06510	4.7
121.10157	42.2
123.08097	12.8
123.11717	5.4
128.06294	8.3
129.07014	15.4
130.07851	4.6
131.08586	22.4
133.10149	28.1
135.08038	6.7
135.11678	11.3
137.09622	7.0
139.11176	3.9
141.06995	6.2
142.07777	15.4
143.08571	26.6
144.09315	5.0
145.10127	41.6
147.08066	5.8
147.11719	12.6
149.09633	8.5
149.13156	2.0
151.07516	9.1
151.11183	2.1
153.06921	2.3
154.07777	3.9
155.08607	13.6
156.09335	13.0
157.10141	36.6
158.10831	3.5
159.08072	3.4
159.11716	20.3
161.09622	6.5
161.13269	5.1
163.11186	9.0
165.07028	4.4
165.09129	13.1
166.07863	3.3
167.08582	7.7
167.10693	32.1
168.09372	6.0
169.10118	19.9
170.10944	6.2
171.11708	22.8
173.09702	3.9
173.13252	18.1
175.11243	3.6
175.14828	7.1
179.08536	9.6
180.09373	4.8
181.10138	13.1
181.12149	4.2
182.10942	5.4
183.11711	21.3
184.12517	3.4
185.13235	12.5
187.14801	5.9
189.12740	5.4
191.08490	2.6
191.14346	6.2
192.09366	2.9
193.10191	8.8
194.10938	5.9
195.11696	17.0
196.12511	5.7
197.13251	16.1
199.14812	15.1
201.12758	3.1
201.16457	3.9
203.14325	8.6
205.10037	2.2
205.15901	2.4
206.10960	5.6
207.11726	10.1
207.13866	7.1
208.12529	6.5
209.13274	20.1
210.14037	4.5
211.14772	9.4
213.12624	2.0
213.16512	5.1
215.14378	5.0
217.10197	2.3
217.15944	6.9
218.10934	3.7
219.11751	6.0
220.12489	3.9
221.13280	10.6
221.15419	28.5
222.14063	2.7
223.14754	12.7
225.16405	4.0
227.14230	2.6
231.11711	4.8
233.13283	6.5
233.15457	10.7
234.14072	4.2
235.14758	9.2
236.15617	3.1
237.16455	5.9
239.18045	2.3
245.13292	5.1
246.13948	3.4
247.14906	6.6
247.17087	3.0
248.15639	3.1
249.16469	6.4
250.17303	2.3
251.17998	6.6
257.13394	1.9
257.19052	5.5
259.14832	4.8
260.15689	3.6
261.16339	6.2
262.17313	2.9
263.18018	4.5
265.19653	4.6
269.18964	3.9
271.14761	2.5
273.16312	2.7
275.17938	5.9
277.19458	3.9
281.19098	2.7
283.20560	8.6
285.16318	2.6
289.19553	4.1
291.21097	2.6
295.20578	4.9
299.20398	3.3
300.21173	2.7
301.19205	2.5
307.20401	2.0
331.24124	2.2
333.22174	2.7
335.23932	2.5
347.23676	3.0
349.25223	3.9
357.25980	1.9
359.23563	1.9
361.25305	3.3
375.27014	3.9
403.30032	7.3
509.34113	3.8
547.39569	3.6
565.40424	23.8
583.41449	100.0
584.42041	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	583.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.6
55.05516	13.9
57.07078	11.3
58.43693	1.8
59.04996	1.7
65.03941	5.4
67.05510	22.1
69.03436	6.4
69.07076	15.1
70.18539	6.8
79.05508	20.4
81.07064	31.6
83.04969	4.9
83.08617	7.0
85.06562	6.8
87.32172	1.8
88.36979	2.3
91.05486	44.8
91.06019	2.9
93.07053	45.3
95.04987	8.3
95.08620	34.4
95.09197	3.8
97.06542	4.9
103.05495	3.8
105.04536	2.2
105.07047	68.0
107.08601	41.3
109.06539	6.3
109.10168	19.0
109.44689	1.9
111.08101	2.7
114.29003	1.9
115.05501	4.2
116.06287	3.0
117.07029	17.1
119.08591	75.5
121.06538	4.0
121.10157	36.8
123.08106	14.9
123.11732	6.2
125.09683	4.0
128.06227	10.8
129.07014	17.8
130.07793	5.1
131.08595	30.2
133.06491	3.6
133.10149	37.4
135.08096	11.3
135.11725	9.5
137.09630	12.4
139.07559	2.1
141.07022	6.9
142.07785	21.8
143.08577	34.8
144.09381	8.0
145.10139	46.2
147.08057	16.1
147.11702	14.0
149.09674	4.8
151.07571	15.6
153.07016	4.7
154.07808	4.2
155.08591	18.7
156.09360	18.9
157.10152	51.5
158.10925	8.5
159.08081	4.0
159.11708	21.1
161.09656	6.8
161.13342	5.1
163.11191	6.2
165.07071	6.4
165.09138	29.8
166.07826	5.2
166.16042	2.0
167.08626	12.2
167.10751	9.8
168.09396	8.4
169.10136	23.6
170.10970	7.9
171.11711	23.0
173.09662	4.1
173.13268	23.6
175.11319	3.1
175.14874	6.4
177.09169	2.0
178.07780	2.7
179.08545	11.6
180.09312	9.8
181.10149	14.7
181.12274	6.5
182.11011	7.3
183.11713	24.8
184.12482	5.0
185.13278	19.8
187.11198	2.6
187.14859	7.6
189.12747	7.3
191.08588	2.6
191.14357	6.4
192.09401	3.7
193.10175	14.9
194.10953	10.9
195.11699	21.5
196.12515	8.3
197.13286	19.8
198.14148	4.7
199.11151	3.7
199.14775	13.3
201.12721	3.5
201.16428	2.5
203.14336	15.0
206.10991	6.9
207.11766	17.5
207.13911	6.6
208.12563	7.3
209.13295	24.2
209.15182	3.0
210.14073	3.6
211.14751	9.9
213.16481	4.3
217.10187	3.3
217.15903	9.2
218.10794	2.5
219.11766	7.0
220.12579	6.4
221.13297	13.8
221.15448	56.2
222.13904	2.8
223.14807	15.0
225.16373	5.1
231.11732	5.3
231.17468	2.5
232.12506	5.3
233.13286	9.2
233.15436	6.1
234.14124	4.6
235.14870	12.2
237.16443	8.3
239.18002	4.2
245.13338	6.5
246.14105	7.0
247.14909	9.4
247.17088	2.5
248.15712	2.6
249.16441	10.6
250.17204	3.1
251.17969	5.2
253.19588	2.7
257.13281	3.5
257.19144	6.0
258.14133	2.3
259.14850	6.7
260.15613	4.9
261.16458	9.6
263.18069	5.9
265.19589	7.2
269.19125	4.2
271.14786	4.2
271.20743	2.7
273.16367	5.4
275.18011	12.4
277.19547	4.2
281.19113	2.1
283.20581	10.9
287.17590	3.2
287.20456	3.0
289.19501	5.1
291.21039	2.7
293.19052	2.2
295.20523	2.9
297.22098	3.9
299.20474	2.3
301.19412	4.1
331.24243	7.0
347.23975	2.7
349.25424	5.7
352.23770	2.4
357.25864	3.1
375.26917	6.3
397.96997	2.1
403.30066	5.5
469.12946	2.0
481.47046	2.4
491.35333	5.7
503.35403	5.7
547.39270	3.2
565.40350	19.9
583.41492	100.0
584.41919	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	583.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94623	1.0
52.86239	0.9
53.03948	3.5
55.05509	11.1
55.92899	1.0
57.07084	7.7
58.90015	1.0
59.04984	2.9
59.57462	1.1
62.11820	0.9
65.03925	2.6
67.05505	19.3
69.03428	5.8
69.07068	14.5
71.08934	2.2
77.03922	1.9
79.05497	19.1
81.07056	24.1
83.04987	6.8
83.08623	4.6
85.06539	5.0
91.05477	34.2
91.06023	2.3
93.07043	43.3
95.04958	8.3
95.08604	33.4
95.09080	0.8
97.06533	3.6
97.10125	1.6
103.05455	3.6
105.04526	2.1
105.07030	58.9
107.08592	33.2
109.06519	7.1
109.10160	15.0
111.08109	2.0
113.09608	1.1
115.05473	4.6
116.06226	3.0
117.07014	13.0
119.08580	57.8
121.06516	4.3
121.10141	36.8
122.07263	1.4
123.08071	16.4
123.11710	4.7
125.05994	2.7
125.09573	1.8
128.06241	9.5
128.42421	1.0
129.07016	12.9
130.07774	5.1
131.08562	27.0
133.06497	3.0
133.10130	30.4
134.10858	1.6
135.08069	11.8
135.11681	9.7
137.09624	11.8
139.11174	2.2
141.06995	8.6
142.07779	20.3
143.08559	28.9
144.09381	5.3
145.10123	37.4
147.08044	17.5
147.11687	12.1
149.09602	5.8
149.13286	1.6
151.07559	16.9
151.11201	1.6
153.07014	2.8
153.09131	1.3
154.07822	2.6
155.08565	16.6
156.09319	13.4
157.10126	44.2
158.10933	6.5
158.31628	1.1
159.08047	3.3
159.11673	22.8
160.08887	1.4
160.12158	1.1
161.09589	6.5
161.13249	5.8
162.52110	1.0
163.11174	6.5
165.07031	6.2
165.09105	33.8
166.07800	2.0
167.08551	8.8
167.10638	8.0
168.09332	6.5
169.02269	1.2
169.10120	22.7
169.50464	1.2
170.10919	8.3
171.11670	23.1
172.12483	2.0
173.09657	3.7
173.13260	18.9
175.11250	2.6
175.14822	6.1
177.12770	1.6
178.07831	2.3
179.08549	12.3
180.09355	5.8
181.10115	12.5
181.12250	3.4
182.10924	8.5
183.11707	23.4
184.12486	4.1
185.04866	1.2
185.09726	1.9
185.13249	14.4
187.11165	3.0
187.14821	5.0
189.04407	1.3
189.12686	5.9
191.08560	2.5
191.10638	1.3
191.14316	5.4
192.09328	3.0
193.10130	10.8
194.10880	10.3
195.11662	19.3
196.12486	5.7
197.13290	17.7
198.14000	3.0
199.11189	2.0
199.14812	12.2
201.12798	1.9
201.16360	2.2
203.08670	1.6
203.14316	14.2
204.09364	1.4
205.10133	4.3
206.10907	5.6
207.11710	14.2
207.13831	8.3
208.12460	8.0
209.13269	25.6
209.15175	2.0
210.14035	3.8
211.11298	2.3
211.14854	11.1
212.15381	1.4
213.12834	2.3
213.16403	5.3
215.14359	1.7
217.10071	2.3
217.15901	6.7
218.10974	3.9
219.11707	6.8
220.12521	5.8
221.13271	13.4
221.15303	61.8
222.14079	3.4
223.14798	12.0
224.15509	2.2
225.12711	2.2
225.16422	4.9
227.14244	1.5
227.17947	1.2
229.10167	2.7
230.11057	1.6
231.11757	4.5
231.17534	3.4
232.12543	3.6
233.13272	8.4
233.15439	3.6
234.14052	3.4
235.14850	10.5
236.15561	3.4
237.16362	6.9
238.17015	1.2
239.17995	3.5
243.11754	2.1
243.17552	1.3
244.12468	2.5
245.13319	4.3
246.14149	4.3
247.14827	5.7
247.17018	2.7
248.15642	2.5
249.16472	8.0
250.17105	1.7
251.17899	5.4
253.15758	1.7
253.19562	2.4
255.17223	1.5
257.19037	5.1
258.13965	1.4
259.14859	4.5
260.15466	1.8
261.16373	6.9
263.17981	7.1
265.19415	5.6
269.18967	3.7
271.14877	2.5
271.20612	3.0
273.16373	5.4
274.17038	1.8
275.17874	8.8
276.18735	1.2
277.16431	1.4
277.19565	4.8
279.17697	1.4
279.21191	3.4
281.19064	3.2
283.14911	1.8
283.20557	9.3
285.16263	1.4
287.17575	2.4
287.20203	3.5
289.19547	3.6
291.21149	2.2
293.19141	1.7
295.20630	4.6
297.22034	6.9
299.20203	3.3
300.21069	1.8
301.19342	2.1
303.21106	1.9
305.19043	1.4
305.22366	1.5
307.20560	1.7
308.41190	1.4
309.22351	1.4
315.20993	1.6
316.22137	1.3
317.22714	1.9
331.24304	3.5
335.23871	1.4
347.23596	1.9
349.25360	4.6
352.23853	1.6
357.25809	3.7
361.25278	1.8
365.24802	2.6
375.26825	8.3
385.29208	1.3
403.29971	9.1
491.34872	5.7
503.35223	6.0
509.33936	2.9
547.39557	3.1
565.40393	25.1
583.41412	100.0
584.41925	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.7
55.05509	11.7
57.07081	6.8
58.80249	1.2
59.04990	2.0
59.19488	1.2
65.03937	3.2
65.79731	1.4
67.05505	18.8
68.98019	1.2
69.03428	5.4
69.07071	13.8
71.04980	1.9
79.05502	19.6
81.07061	26.8
83.04981	6.0
83.08643	8.5
83.09053	1.4
85.06551	5.7
91.04917	1.4
91.05489	27.9
93.07051	40.9
95.04980	7.8
95.08615	27.4
97.06527	6.7
98.59326	1.3
103.05465	3.2
105.04536	1.6
105.07043	47.8
107.08602	35.6
109.06561	7.5
109.07172	1.4
109.10160	19.8
115.05488	4.4
116.06206	1.4
117.07023	12.8
119.08588	56.9
120.05977	1.4
120.88882	1.7
121.06519	4.1
121.10152	42.4
121.11037	2.2
123.08079	11.2
123.11699	4.0
125.06008	1.5
125.09650	3.4
128.06215	8.4
129.07014	10.9
130.07797	5.4
131.08583	23.0
133.06503	2.8
133.10138	30.9
135.08092	4.3
135.11678	12.5
137.09630	5.5
139.07576	1.9
139.11201	3.3
141.07011	5.9
142.07782	16.1
143.08574	21.1
144.09373	5.5
145.10138	35.0
147.08054	6.1
147.11708	13.8
149.09659	7.9
149.13272	3.3
151.07549	8.5
151.11218	2.0
153.07042	2.9
154.07809	2.6
155.08562	11.0
155.10724	3.8
156.09340	11.6
157.10135	33.7
157.11325	2.3
158.10950	5.5
159.08101	5.3
159.11700	20.9
161.09616	5.0
161.13312	4.6
163.11182	4.0
165.07019	5.5
165.09064	10.6
166.07845	2.7
167.08635	7.4
167.10686	27.7
168.09358	4.1
169.10120	17.9
170.10922	6.8
171.11693	21.7
172.12465	1.9
173.09637	1.6
173.13295	14.1
175.11246	1.8
175.14832	6.7
177.12721	1.8
179.08606	9.6
179.10089	1.5
180.09380	3.9
181.10150	11.8
181.12224	3.8
182.10910	7.3
183.11734	20.5
184.12411	3.4
185.09651	2.6
185.13268	14.8
187.14798	6.7
189.12772	3.9
191.08505	1.8
191.14409	4.3
192.09424	3.8
193.10155	10.8
194.10854	7.4
195.11710	17.1
196.12456	6.2
197.13266	17.7
197.85951	1.5
198.14108	2.2
199.11229	1.7
199.14847	12.0
201.16432	4.4
203.14372	5.5
205.10143	3.3
206.10942	6.6
207.11745	11.2
207.13852	5.3
208.12497	5.4
209.13268	16.6
210.14091	3.2
211.14847	11.4
213.16452	4.9
215.14307	3.1
217.10164	2.2
217.15919	4.2
218.10873	1.8
219.11739	4.2
220.12471	3.0
221.13287	12.6
221.15439	19.7
222.14005	4.3
223.14783	10.8
224.15268	1.8
225.12898	2.6
225.16406	6.0
227.14261	3.1
230.10997	2.0
231.11716	3.8
231.17542	1.7
232.12537	2.4
233.13255	6.8
233.15454	8.9
234.13989	2.1
235.14835	8.6
236.15770	2.2
237.12811	2.6
237.16399	7.5
239.17845	3.0
241.41071	1.6
243.17531	2.3
244.12544	2.2
245.13350	5.0
246.14050	3.7
247.14851	8.7
247.17094	3.1
248.15703	1.8
249.16415	7.1
250.17175	2.1
251.14275	1.7
251.17987	5.4
253.19608	3.0
257.13358	2.5
257.19064	4.4
258.14297	2.6
259.14883	4.0
261.16348	6.8
263.18008	4.9
265.19601	4.3
269.19073	4.6
271.14914	2.1
271.20621	2.3
273.16293	2.7
274.17075	2.0
275.18011	5.7
277.19543	3.2
279.21075	2.3
281.19043	3.1
283.20685	6.1
287.17828	2.4
289.19666	3.8
291.20984	2.9
293.18985	2.4
295.20676	5.6
297.22125	3.5
299.20441	1.9
301.19293	2.2
313.19229	2.4
315.21173	1.8
317.22778	1.8
333.22327	1.7
335.23685	3.9
347.23770	2.3
349.25427	4.7
357.25790	4.0
361.25317	1.9
375.27045	2.8
403.30066	5.0
491.35373	4.0
509.34494	2.9
527.35712	1.7
547.39264	4.4
565.40448	23.6
566.40881	1.8
583.41473	100.0
584.41699	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	583.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.7
55.05516	17.7
57.03437	1.6
57.07087	10.8
59.04990	4.1
59.07676	1.6
65.03935	4.7
67.05180	2.7
67.05508	28.1
69.03432	5.3
69.07069	23.6
69.38632	15.1
71.05006	3.3
79.05500	32.2
81.07057	40.3
83.04987	10.3
83.08642	10.5
85.06535	5.5
86.09726	2.8
91.05483	56.3
93.07047	69.2
94.07365	2.0
95.04979	12.9
95.08613	38.5
95.09183	3.0
97.06536	8.7
97.10166	3.9
103.05483	6.0
105.04555	2.3
105.07037	89.1
106.07877	1.9
107.08597	63.3
109.05896	1.8
109.06533	8.4
109.10162	27.1
111.08089	5.4
111.11729	3.6
113.06066	2.0
115.05441	9.4
116.06228	4.8
117.07011	23.6
119.08589	97.8
121.06525	9.7
121.10149	64.1
123.08096	17.3
123.11708	5.6
125.06042	2.6
125.09657	5.4
128.06221	12.4
129.07014	24.0
130.07796	8.4
131.07607	2.6
131.08585	44.6
133.06534	3.0
133.10138	51.8
135.08093	9.7
135.11681	21.6
137.09650	10.1
139.11208	5.2
141.06978	11.9
142.07799	26.2
143.08568	44.1
144.09357	7.3
145.10135	66.3
147.08037	13.1
147.11691	22.4
149.09621	14.3
149.13257	6.6
151.07605	10.3
151.11218	3.7
153.06981	4.2
153.90443	1.8
154.07852	3.2
155.08577	20.1
155.10641	3.7
156.09363	20.5
157.10141	62.8
158.10941	9.2
159.08086	6.7
159.11708	37.4
160.12495	2.3
161.09668	7.4
161.13292	10.6
163.11220	10.2
163.14877	2.6
165.07034	8.2
165.09100	17.0
166.07828	4.7
167.08591	12.3
167.10696	46.6
167.33086	1.6
168.09373	10.4
169.10144	37.6
170.10948	10.9
171.08028	2.3
171.11705	37.7
172.12560	2.7
173.09656	4.6
173.13268	32.7
175.11217	4.7
175.14870	11.9
177.09267	2.4
178.07747	2.4
179.08569	14.9
180.09326	6.2
181.10118	18.7
181.12250	6.1
182.10849	8.6
183.11707	33.8
184.12491	7.8
185.09702	3.2
185.13293	19.8
187.11244	4.3
187.14864	10.2
189.12825	7.2
189.16452	2.1
191.08447	2.3
191.14317	9.5
192.09395	5.1
193.10147	16.8
194.10912	14.3
195.11697	25.2
196.12448	7.3
197.13245	21.3
198.13875	2.9
199.11020	2.6
199.14853	22.8
201.12814	4.1
201.16374	6.9
203.14305	9.7
205.10205	6.5
206.10976	8.1
207.11745	27.9
207.13773	5.4
208.12497	8.1
209.13290	31.7
209.15208	2.0
210.14000	4.4
211.14828	15.3
213.12822	3.2
213.16440	5.9
215.14392	5.4
217.10234	3.2
217.15884	15.8
218.11021	3.5
219.11676	12.5
219.17638	2.5
220.12491	5.3
221.13293	19.3
221.15443	31.4
222.14049	4.5
223.14749	13.8
224.15453	1.8
225.12827	4.4
225.16432	8.3
227.14307	3.8
227.18054	3.6
229.10188	2.6
229.15938	2.0
231.11661	9.1
231.17538	2.3
232.12431	6.5
233.13278	9.1
233.15472	14.5
234.14035	4.6
234.16164	2.1
235.14767	16.6
235.16573	1.8
236.15686	4.5
237.16527	9.1
239.18030	5.1
241.16025	2.6
243.11745	4.0
244.12479	3.0
245.13295	7.8
246.13956	3.5
247.14738	10.0
247.17087	2.4
248.15611	3.2
249.16490	8.9
251.18039	7.6
253.19432	2.6
255.17407	2.7
257.13290	4.1
257.19046	7.6
258.13971	3.0
259.14969	5.4
260.15619	6.1
261.16394	10.3
262.17175	2.5
263.14413	2.0
263.17838	9.8
265.19443	8.8
265.25381	2.5
269.19067	6.0
271.14911	2.3
271.20413	2.0
273.16391	7.5
274.17148	2.3
275.17908	10.3
277.16110	1.9
277.19629	5.4
281.19159	3.8
283.14917	2.3
283.20660	10.7
285.18817	3.0
287.17838	3.3
289.19495	5.1
291.21066	3.1
295.20688	5.5
297.16360	2.3
297.22067	2.6
299.20441	2.2
301.19403	3.2
303.21179	2.9
309.22156	3.4
317.22629	1.9
322.22839	2.0
331.24191	3.5
349.25381	7.3
355.23840	2.1
357.12531	2.0
359.23691	3.1
361.25339	4.6
375.26968	4.4
377.24741	2.7
401.28607	2.0
403.30261	3.4
443.29739	2.2
491.35052	11.0
509.34329	3.6
547.38562	2.8
565.40558	20.4
583.41473	100.0
612.36218	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28084	0.5
64.55680	0.4
67.05515	0.6
70.81770	0.6
76.62480	0.5
81.07059	0.7
81.65299	0.4
119.08662	0.7
186.09238	0.7
195.09077	0.6
197.10735	0.7
204.10320	1.3
207.09145	0.6
209.10745	0.6
213.10284	1.5
214.11127	0.5
216.10194	3.0
217.11111	0.6
220.09778	0.8
223.12352	0.9
225.10231	0.5
227.11806	0.6
230.11807	3.9
235.12396	1.9
236.09529	0.8
236.11801	0.8
237.10352	0.6
242.10535	1.3
245.10507	3.5
246.11465	0.9
249.10207	0.5
250.09703	0.6
250.13306	0.7
251.11848	4.1
252.14932	0.9
255.11311	0.8
258.11331	2.1
260.11414	0.7
262.13617	0.7
263.11826	0.6
264.11356	1.4
264.15079	0.6
265.12180	1.3
276.12155	1.0
278.12943	1.0
280.14444	7.5
283.10818	0.9
284.11768	0.7
288.15002	0.6
289.13248	0.6
291.13596	1.0
292.14502	1.3
296.13846	1.5
300.11685	0.5
300.15048	0.8
301.11911	1.8
301.15375	0.5
304.11765	13.1
304.15140	0.7
306.15933	3.1
307.16760	1.1
314.12946	1.5
315.13733	0.6
319.12878	3.9
326.13370	0.7
327.13824	0.8
328.14508	2.0
328.17938	0.5
329.15277	1.1
330.16086	1.0
331.36508	0.5
338.50720	0.5
340.14407	0.6
342.16013	2.9
343.12921	2.9
343.16797	1.1
344.17773	0.8
356.17609	4.6
358.19473	0.6
372.13416	1.2
373.14261	1.4
374.14963	4.1
386.15302	1.4
387.15695	3.4
393.17276	0.7
400.16342	0.6
401.67419	0.5
402.18127	9.0
406.18747	0.6
407.18478	1.0
421.20798	0.7
432.16925	0.6
435.18246	1.9
436.18933	2.4
446.18600	0.8
448.20078	0.7
449.19839	1.6
451.21487	0.7
481.22125	2.3
495.19968	0.8
505.21680	0.7
506.20578	1.0
507.20520	0.9
508.20764	0.5
509.21738	2.4
510.23062	0.8
523.23309	0.9
553.20813	0.8
555.25769	0.7
565.24377	1.8
566.23157	1.1
568.23224	3.6
583.25543	100.0
584.25714	3.0
592.34650	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
62.27209	0.4
67.05473	0.9
71.48270	0.5
73.12750	0.5
74.06873	0.5
79.05465	0.9
91.05437	0.6
95.04940	0.7
105.06967	0.6
114.71268	0.5
120.08089	0.7
121.10046	0.6
124.40221	0.6
132.24744	0.5
136.07501	0.5
145.07597	1.3
157.60225	0.5
159.09142	0.7
166.08644	1.0
168.08064	0.7
182.09726	1.1
184.11226	0.6
194.08246	0.6
195.09132	3.0
196.09906	1.7
197.10692	1.6
199.12291	0.8
204.08969	0.9
208.09854	0.7
209.10754	17.8
210.09444	0.6
210.11488	7.7
211.08682	2.1
211.12317	1.5
212.09332	1.4
213.10310	0.7
218.15222	0.5
223.08563	0.6
223.12286	2.1
224.09448	1.2
225.10229	4.1
225.13780	1.0
226.11084	1.2
227.11826	2.8
237.10225	9.1
238.10985	7.8
239.11806	2.9
240.12558	0.6
251.11816	4.0
252.12576	0.9
253.09766	0.9
253.13530	2.7
255.11298	1.2
257.12912	0.7
267.11179	0.8
269.12836	9.7
271.10785	2.5
279.11334	3.0
283.10773	0.7
284.11517	1.5
285.12323	1.7
297.12341	94.0
298.12643	2.0
299.13916	7.0
314.12842	0.8
316.14297	0.7
328.14624	0.6
329.15414	0.8
330.16043	1.9
344.17560	0.9
358.61725	0.6
370.15613	0.6
371.15967	0.8
392.17557	0.5
394.66324	0.6
402.17929	0.6
421.16089	0.6
421.20822	0.7
434.17599	0.7
435.18246	2.3
436.18881	1.0
447.17767	0.7
448.18890	0.6
449.19958	1.0
450.20004	1.3
451.21115	1.8
460.18863	0.6
463.21072	1.1
464.21790	0.6
465.22852	2.2
491.20523	0.6
495.20306	0.8
509.22171	0.8
510.22342	0.7
523.23438	1.3
530.06158	0.7
565.24628	1.0
583.25488	100.0
584.25671	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	583.2555
Annotation	Malleastrone A
Peak:m/z	Relative Intensity
52.39145	0.5
55.05465	0.8
61.36052	0.5
64.53759	0.5
66.33900	0.5
67.05441	0.6
70.75942	0.5
78.94930	0.5
79.05421	0.6
81.07009	1.2
90.64414	0.5
91.05424	0.7
93.06956	1.7
94.06557	0.7
95.08566	0.9
105.06981	1.3
107.08481	1.0
109.10120	0.7
118.69307	0.5
120.08054	0.7
121.10058	0.7
123.08033	0.7
131.08452	0.7
132.08012	0.8
133.10036	1.3
135.08049	0.5
139.96176	0.5
143.08467	0.5
145.10092	0.9
146.05936	0.6
147.11568	0.6
157.10123	0.8
185.07022	0.6
189.10170	1.3
195.11438	0.6
197.10675	0.6
197.13210	0.7
209.10661	0.9
221.10736	0.8
222.11496	0.7
225.13911	0.6
231.11069	1.0
233.10605	0.6
235.12250	1.1
237.13776	0.9
247.12253	1.1
249.13812	1.0
259.12442	0.5
263.15060	0.5
274.13348	1.1
276.15149	2.7
286.13495	0.9
289.15744	1.0
302.13043	0.7
303.10291	0.7
303.13651	1.2
306.16190	0.9
311.13660	0.6
312.15179	0.9
313.15475	1.0
314.16333	0.8
316.14395	0.8
318.16086	3.2
323.15515	1.1
325.15237	0.6
326.16547	1.0
328.18015	0.8
335.13681	0.6
336.15390	0.6
337.14429	1.2
338.16080	1.7
339.16235	1.9
340.18076	1.0
342.19513	0.6
348.00061	0.6
351.15778	1.9
352.16855	2.2
353.17621	5.4
354.19507	3.9
364.17538	0.9
365.17636	2.4
366.19031	1.3
367.15887	0.8
367.19333	8.8
368.20105	0.9
379.15002	1.1
379.19269	1.3
380.20078	0.7
381.16849	1.0
381.20901	6.0
382.21283	2.0
383.22305	2.4
393.16730	0.9
394.18008	1.6
395.18616	2.5
397.20038	1.2
407.18564	1.6
408.19962	1.7
409.20193	7.0
410.20566	1.9
421.20227	1.9
422.20895	1.3
423.21930	3.6
424.22650	1.9
425.19153	1.0
425.22928	2.1
426.20807	0.9
435.21793	1.9
437.23904	4.7
439.21823	1.1
440.22690	1.9
442.25214	0.8
451.21405	0.9
453.18845	10.4
454.19360	0.8
454.24026	0.7
455.20993	0.7
467.20605	1.7
468.21674	18.0
469.26611	9.4
470.24286	1.8
479.24713	3.6
481.22092	1.5
482.22995	0.7
485.25549	1.2
496.22247	10.5
497.25385	1.6
498.22720	1.3
508.25082	0.9
509.21982	0.9
511.27243	2.7
513.25073	15.0
523.23041	0.7
539.26337	3.2
540.23340	5.1
541.24518	100.0
542.24835	2.3
551.22546	0.9
555.26062	35.5
556.26556	0.8
583.25568	38.8
584.25568	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.152
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	1.0
57.64410	0.6
70.47637	0.7
71.47054	1.0
77.00878	0.8
80.01978	0.7
82.99847	3.2
83.06766	0.8
85.01454	0.7
85.02912	1.8
85.06551	3.1
88.05666	0.7
97.02908	1.3
98.97594	3.8
101.00887	15.2
107.45781	0.6
113.00864	2.4
116.98589	1.0
119.01929	17.9
127.02409	0.8
128.98538	1.0
131.01907	4.4
143.01907	100.0
144.02086	1.2
145.01671	2.7
145.03459	2.2
145.04697	0.8
155.01900	5.5
156.02661	0.8
157.03516	1.3
158.99658	0.9
159.05022	1.1
160.07538	1.9
161.02966	87.3
162.03061	1.6
163.02681	1.2
163.03900	11.9
167.05556	1.4
169.03464	0.8
173.02957	7.8
179.05588	0.8
183.05009	0.9
184.04561	2.4
185.03026	1.9
185.06598	6.1
186.04207	0.8
197.05025	1.3
197.06578	6.0
203.04022	43.8
204.04190	1.0
209.06596	1.8
215.07605	1.4
221.02980	5.9
221.05086	13.3
227.07616	3.3
237.02945	1.0
239.07744	1.2
245.03000	1.6
245.05252	1.1
257.05121	1.1
263.04105	2.3
269.08835	2.2
275.06262	1.1
281.05194	5.3
287.09787	45.7
289.09323	1.8
305.10867	9.9
319.08820	1.2
323.06009	2.4
335.06058	0.9
337.09735	3.0
359.11826	6.1
365.07172	1.4
375.11356	0.9
378.10327	0.9
385.09134	0.8
467.14001	32.1
468.14023	0.8
530.56464	0.9
583.14362	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14118	0.9
53.03946	2.7
53.19199	0.9
55.01881	1.1
55.05508	6.3
57.03448	1.2
65.03939	1.6
67.05499	3.9
69.03429	5.0
69.77873	3.7
69.78297	2.0
70.06591	4.4
72.08169	1.1
73.02892	1.1
73.20295	1.1
79.05496	8.3
81.03413	8.0
81.07061	3.0
83.04978	2.5
84.08115	1.8
85.02908	7.7
86.09696	2.2
91.05479	9.9
93.07050	8.9
95.04971	4.0
95.08617	1.4
97.02898	9.5
97.06547	11.8
98.21567	1.2
99.04442	2.2
103.05489	1.0
105.07032	7.5
107.04970	1.9
107.08597	79.0
107.77736	0.9
108.08915	0.9
109.02883	7.0
109.06515	3.5
109.10158	4.1
115.05446	6.1
117.06988	4.9
119.06081	1.8
120.08148	1.3
121.06511	1.5
125.09608	2.6
126.10004	1.2
127.03934	10.9
131.04944	3.6
132.92766	1.0
133.06487	1.0
133.10176	1.1
135.08058	100.0
137.06076	1.5
137.09612	2.1
138.18108	0.9
143.04893	2.6
145.04947	2.7
153.09100	23.2
159.04411	1.1
161.06021	1.1
163.03905	3.5
163.07552	27.9
167.07010	1.2
178.09648	1.1
180.53670	1.4
181.08574	8.9
184.05434	1.0
187.03911	33.5
199.03813	1.8
199.09654	19.4
205.04980	5.6
229.05006	1.4
261.11343	1.4
265.08557	1.4
272.23364	1.0
279.12347	1.3
280.88440	1.1
281.13641	1.1
289.10770	1.4
297.13409	4.2
306.73602	1.0
307.11823	8.7
313.07184	1.2
325.12830	16.3
343.14038	4.7
349.10703	1.7
437.12253	1.0
582.19910	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89450	3.8
53.03945	9.5
53.74482	4.2
55.01882	6.9
55.05513	24.2
57.03429	8.1
57.07053	6.8
65.03944	4.3
67.05510	100.0
69.07068	18.1
69.78442	25.6
79.05500	65.1
81.03414	10.0
81.07065	98.1
83.04995	20.6
83.08615	11.3
83.41403	3.9
85.06542	7.9
91.05483	44.9
93.07049	73.3
93.07575	7.4
95.04966	14.8
95.08614	61.1
97.06532	12.7
97.10188	6.1
99.03707	4.5
100.21011	4.3
103.05469	6.1
105.07047	25.1
107.04955	22.4
107.08608	37.7
109.10166	35.1
111.04445	25.9
117.07033	16.3
119.08597	25.5
121.06488	4.7
121.10161	46.1
123.11708	13.5
124.35592	3.9
129.07062	7.4
131.08614	25.1
133.10124	10.6
135.08109	5.8
135.11681	31.5
143.08521	5.2
145.10132	32.5
147.11713	12.0
149.09703	6.0
149.13254	15.6
153.12764	10.3
155.08591	5.1
156.27731	5.0
157.10112	8.4
159.11722	5.0
161.13239	8.2
162.33090	4.4
163.11179	28.4
163.14938	5.6
171.11694	5.2
173.09633	15.0
173.13263	9.2
181.12233	12.7
181.78415	3.9
185.13321	4.8
191.10693	18.2
209.11763	15.9
227.12755	13.9
243.21159	9.8
261.22183	38.7
265.14343	27.9
279.23196	6.9
283.15421	46.2
285.90839	4.4
301.16455	24.7
317.24796	9.0
335.25735	38.9
353.26852	5.9
413.52686	5.5
451.31918	4.9
469.33032	5.2
515.37317	7.2
543.36761	23.2
561.37549	17.6
579.38629	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	581.1504
Annotation	Lucenin 3
Peak:m/z	Relative Intensity
55.01868	6.6
57.48970	2.0
60.17294	1.8
69.20470	19.9
81.03397	2.1
82.44469	2.1
85.02918	5.7
103.03941	3.7
105.18319	1.8
107.14589	1.7
109.02877	2.6
121.02882	2.6
121.06533	2.1
126.42319	2.1
135.04411	8.4
137.02359	33.7
149.02365	1.9
152.12625	2.1
161.02376	9.4
163.04004	2.7
169.36212	2.3
175.03876	4.1
177.01860	6.5
179.03410	2.9
187.03795	3.4
189.01862	13.1
189.05508	2.8
191.03384	5.7
195.02850	6.0
199.03845	3.4
201.01868	2.5
203.03403	17.2
205.04922	2.8
207.02896	6.9
215.03471	4.5
217.04956	6.9
219.02940	5.5
221.13490	2.0
227.03442	3.0
229.04903	3.5
231.03009	2.2
233.04442	3.0
243.02946	3.2
245.04422	3.1
255.02931	2.3
271.05890	2.6
281.04382	2.1
283.05945	3.5
284.06732	6.0
295.06049	3.4
297.07526	5.2
299.05548	7.1
308.06656	4.3
309.07596	5.3
310.04764	19.4
311.05493	78.6
312.06195	8.9
313.07092	8.8
321.07660	2.3
323.05533	50.9
323.08911	1.8
324.06265	18.3
325.07050	16.7
329.06485	2.3
333.07632	3.0
335.05551	7.9
336.06177	7.8
337.07080	49.1
338.07782	11.4
339.05026	4.3
339.08762	4.5
339.12906	2.0
341.06570	70.6
345.07681	4.7
347.05734	2.8
349.07162	26.6
350.07785	6.8
351.04944	2.9
351.08676	22.3
353.06583	54.2
355.07935	3.3
361.07080	14.1
363.08624	7.9
365.06595	51.9
367.08109	27.4
371.07614	9.3
375.08240	4.1
377.06473	23.8
377.10559	2.5
379.08151	25.1
381.09665	3.2
383.07437	6.1
389.06409	14.0
391.08374	9.7
393.10052	2.8
395.07626	72.5
403.08044	5.9
405.09756	3.9
407.07617	50.9
409.08929	4.1
412.75940	2.5
413.08667	14.6
417.10126	2.5
419.07632	12.5
421.08939	5.5
425.08698	69.5
431.08429	8.7
433.09039	3.2
437.08606	7.9
443.09769	100.0
449.08719	17.2
455.09781	5.6
461.09888	13.5
467.09802	11.3
473.10864	16.9
479.09659	5.1
485.10724	12.0
491.10620	10.5
497.10849	40.3
509.10870	21.4
515.11829	27.6
527.03772	3.0
527.11835	62.6
545.05121	3.6
545.12823	37.3
563.14063	20.0
577.99207	2.5
581.14929	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	579.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22768	4.4
53.03946	8.1
55.01863	11.1
55.05514	26.1
57.03430	6.2
57.07077	4.8
64.12231	4.4
65.03944	7.3
67.05507	95.2
69.07079	27.8
69.59113	24.7
71.04978	8.3
72.40068	4.1
79.05495	69.9
81.07056	100.0
83.04974	19.7
83.08612	11.1
85.06511	6.7
91.05475	36.7
93.07047	66.4
95.04958	12.8
95.08614	74.8
97.06522	13.1
100.81538	4.4
101.02388	4.8
105.07030	25.8
107.04959	21.1
107.08610	42.5
109.06554	4.3
109.10167	41.7
111.04469	23.2
111.08096	5.6
117.07084	21.3
119.08576	20.8
121.10134	50.7
123.11702	14.6
123.84337	4.4
131.08580	21.9
133.10136	21.3
135.11719	35.1
137.13240	5.0
140.16937	4.2
143.08585	5.0
145.10114	32.1
147.11679	16.6
149.09601	8.8
149.13301	8.1
153.12756	6.5
155.08456	10.7
159.11705	10.3
163.11194	35.7
163.14799	5.2
173.09637	17.9
173.13271	7.8
181.12228	13.4
187.14754	5.1
191.10602	22.7
196.75443	5.6
200.51379	4.6
209.11723	12.7
227.12801	20.4
256.99121	4.7
261.22110	26.4
265.14371	24.1
279.23334	6.7
283.15414	32.3
301.16406	23.3
317.24719	7.8
335.25897	30.9
353.26578	15.6
451.32037	7.6
453.85498	5.0
469.32855	13.4
515.37164	7.4
525.35382	10.0
526.58020	5.2
537.21759	4.8
543.36768	21.0
560.49792	5.3
561.37451	19.6
572.14337	4.7
579.25336	5.3
579.37567	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	579.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.5
55.05519	11.9
55.42789	1.5
57.03450	10.8
57.07061	4.1
62.95379	1.4
64.48368	1.4
65.03942	1.9
67.05507	51.6
69.07071	15.4
71.04993	4.1
71.08619	2.2
71.48878	1.7
79.05498	19.8
81.03418	10.9
81.06592	3.1
81.07060	53.8
81.34686	1.4
82.95035	1.4
83.04964	3.2
83.08622	7.8
88.38297	1.6
91.05476	15.3
93.07044	21.0
95.04984	2.3
95.08615	46.4
95.86583	1.4
97.06483	1.7
97.10180	4.1
98.98472	99.1
99.04449	2.0
99.08070	1.8
105.07039	10.5
107.08593	11.5
109.02898	6.2
109.10158	25.1
111.08102	1.8
119.08578	6.3
121.10146	12.4
123.08051	1.8
123.11729	8.1
125.09610	2.4
131.08580	1.6
133.06305	1.5
133.10143	9.2
135.11671	8.8
137.09605	2.4
137.13263	5.1
145.10106	2.7
147.11729	4.8
149.13272	6.3
151.14850	6.2
155.01051	100.0
159.34827	1.6
161.13260	5.2
163.11166	1.7
163.14821	4.7
175.14824	5.4
189.16466	2.2
194.94408	1.6
243.02440	2.4
245.13950	2.1
245.22653	15.8
263.23730	28.7
282.19104	1.5
299.05197	1.8
304.24939	1.5
309.71219	1.7
317.06287	12.5
337.27386	69.8
388.25131	1.5
425.28949	2.7
579.13391	1.8
579.38074	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	579.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59332	1.0
53.03941	3.0
55.01864	3.7
55.05513	11.0
57.03430	4.1
57.07067	3.6
63.28696	1.2
65.03923	3.2
67.05505	65.6
68.03770	1.0
69.03421	3.7
69.07063	11.0
71.04993	2.1
71.08617	2.2
71.22186	1.8
73.02904	3.4
79.05497	33.5
81.03435	7.5
81.07059	68.3
83.04967	2.7
83.08614	4.8
85.02898	3.7
85.06545	1.5
91.05489	19.9
93.07048	49.1
93.07643	2.5
95.04969	2.9
95.08614	50.1
97.02884	2.9
97.06515	3.3
97.10171	3.1
98.98471	2.3
99.04453	2.3
99.08100	2.4
105.07038	16.3
107.08598	37.4
109.02879	10.3
109.09479	2.0
109.10168	31.1
110.03661	4.6
111.04428	4.2
111.08073	1.5
111.11713	1.4
117.07017	7.7
119.08592	18.0
121.10146	31.3
123.11726	14.5
127.03925	4.0
129.06966	2.5
131.08583	21.2
132.99599	1.4
133.10127	15.0
135.08031	1.1
135.11691	24.2
137.13245	6.9
139.11118	1.9
145.10130	16.8
147.11693	9.0
149.13246	17.6
151.14815	2.4
153.12788	1.3
155.01013	1.2
157.10262	1.1
159.11693	14.6
161.09601	1.6
161.13261	9.7
163.11288	1.7
163.14845	11.5
165.12726	1.7
171.11708	1.4
173.13272	15.1
175.14838	2.4
177.12820	1.5
177.16373	6.2
180.68933	1.1
183.11639	1.2
187.14854	8.6
191.00117	3.4
191.14362	1.8
201.16406	2.7
205.15898	2.3
219.17339	1.9
228.19008	1.1
233.22620	3.9
243.21104	25.9
245.22577	1.1
259.20480	1.2
261.22147	100.0
262.22519	1.1
263.23703	1.8
273.22269	1.1
279.23187	3.8
293.94443	1.2
303.23178	2.4
308.16229	1.2
335.25839	10.0
337.27301	2.4
353.26886	75.7
369.24222	2.3
377.26990	1.7
443.27826	1.6
451.21411	2.8
462.50400	1.3
469.23273	1.8
487.23444	1.4
543.26483	1.3
544.07257	1.2
561.27209	4.6
579.28406	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	579.284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.5
54.13684	1.8
55.01870	5.0
55.05526	11.7
57.03436	5.4
57.07085	3.2
67.05511	57.5
69.03432	4.4
69.07072	8.6
69.16631	13.2
69.17049	4.8
73.02917	2.7
79.05499	30.5
81.03428	4.8
81.07063	66.8
83.08624	5.0
85.02941	4.5
85.06590	2.1
91.05488	18.6
93.06486	3.0
93.07054	47.1
95.08614	56.3
97.02853	2.4
97.06536	2.0
97.10167	4.0
99.04468	3.2
103.73656	2.1
105.07045	17.9
107.08601	33.2
109.02882	8.2
109.10160	28.1
110.03667	2.2
111.04450	4.2
116.45229	1.9
117.07014	6.4
119.08601	15.4
121.10159	29.4
123.11716	20.3
127.03908	4.2
129.07034	2.6
131.08588	17.5
132.99527	2.4
133.10141	11.1
135.11705	26.3
137.13275	8.9
145.10132	15.4
147.11713	7.5
149.13283	16.1
151.11183	2.2
153.12643	2.2
159.11710	16.4
161.13255	8.6
163.14801	11.3
171.11726	1.8
171.66423	1.5
173.13293	15.1
175.14897	2.8
177.16364	4.2
179.14365	2.3
187.14801	6.3
191.00313	2.5
201.16508	2.5
233.22614	4.2
243.21153	26.5
259.20581	2.1
261.22162	100.0
263.23749	2.2
279.23196	6.4
303.23111	2.5
335.25824	17.8
353.26926	69.9
369.24612	2.1
433.20374	2.3
467.19473	2.1
469.22363	2.2
469.75677	1.9
472.47330	1.9
543.37952	2.0
561.27167	5.4
579.27643	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.2
55.01872	11.7
57.03432	8.5
57.92978	2.9
61.02939	6.1
61.51482	2.9
69.03434	31.6
69.07085	3.8
70.06592	10.2
70.25835	3.4
71.04993	12.5
71.49148	6.2
72.08166	7.4
73.02922	6.2
79.05495	7.6
81.03432	22.3
81.07073	6.5
83.05003	4.6
84.08161	8.3
85.02913	63.9
85.06549	5.7
86.09714	11.5
87.00833	25.4
91.05474	14.6
92.65211	3.4
93.07028	9.6
95.04966	5.5
95.08618	5.5
97.02901	29.7
97.06529	6.6
99.04458	13.5
103.05461	6.1
105.01867	11.6
105.07017	10.3
107.04967	9.2
107.08669	4.3
109.02885	18.4
111.04436	9.3
111.69890	3.2
115.03893	4.8
115.05449	4.0
117.01861	4.3
117.07016	4.5
119.04975	8.8
119.08500	3.6
120.08147	7.4
121.06549	4.1
121.10049	3.1
122.03683	7.5
123.04346	4.7
123.08121	4.3
125.09652	7.5
127.03926	35.7
129.05501	4.1
129.06998	7.7
131.04953	10.4
135.04433	3.8
135.08061	6.9
137.05986	100.0
143.04956	5.5
145.04970	11.5
145.06488	7.4
147.04440	3.9
149.05965	10.4
151.03932	27.8
151.07552	55.1
159.02885	11.0
161.05988	23.3
163.03960	4.0
163.07576	20.8
165.07045	6.1
165.09088	6.4
167.07086	3.7
167.08528	5.7
170.26434	3.8
171.07983	3.6
174.06865	5.6
175.07526	19.3
177.09096	6.5
187.03906	12.4
187.07596	7.4
189.09100	17.6
191.07060	5.5
193.10107	3.9
195.08022	10.0
195.10143	8.1
196.17566	3.3
199.14882	4.0
203.07010	4.9
207.10269	4.7
209.08028	20.1
209.09792	4.0
210.06717	3.7
211.07619	5.7
215.06982	5.2
217.08684	3.7
219.10243	7.9
221.05931	5.5
223.07562	7.3
225.09145	4.5
227.10718	13.8
229.08658	4.6
237.09193	3.7
241.08690	4.0
249.09052	5.6
249.11241	5.4
253.08591	6.6
253.12302	6.1
255.10266	9.6
259.09674	6.5
261.08878	3.9
261.11349	5.1
265.08688	9.5
267.10028	4.9
271.06036	14.1
275.10626	4.0
277.08569	6.4
279.10193	4.1
281.08212	4.9
283.06049	10.6
283.09708	4.1
285.11215	13.3
287.12875	31.1
291.10226	5.4
293.11563	3.1
297.11292	8.0
299.12778	14.7
302.30548	3.4
305.11728	5.1
307.09607	6.0
309.07990	5.4
309.11273	22.9
311.12811	14.3
313.06979	5.8
313.14398	18.0
321.11172	4.1
323.12833	6.0
325.14053	4.6
331.15427	42.4
335.12784	7.1
337.14297	5.9
341.13898	14.7
343.15543	9.9
353.14005	7.2
355.15350	6.4
379.08554	4.2
379.15405	4.9
403.15546	7.4
415.10397	6.8
421.16623	17.8
433.11295	5.3
439.17206	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	579.1709
Annotation	Isovitexin 4'-O-rhamnopyranoside
Peak:m/z	Relative Intensity
57.03426	6.8
63.52945	1.5
69.35980	3.2
69.36380	9.7
71.04998	33.2
85.02907	39.5
95.81738	1.6
96.98302	1.7
98.21468	3.2
109.49992	1.6
114.68521	1.7
121.02860	6.4
126.41506	1.7
129.05464	4.0
145.02866	3.4
149.02396	3.0
163.03973	2.5
165.01813	10.7
167.03357	2.0
183.02914	1.8
210.42259	1.7
239.07022	2.0
267.06494	10.4
270.05148	1.9
271.06012	7.2
281.08044	6.7
283.06024	97.2
284.06799	11.7
295.06006	12.7
295.09586	3.0
297.07556	3.5
305.07983	2.2
309.04068	3.4
309.07544	25.1
313.07071	100.0
321.07681	2.5
323.09229	11.4
333.07471	5.0
337.07089	47.9
349.07086	11.2
361.07062	7.6
367.08157	34.2
379.08112	21.5
397.09244	24.0
415.04828	3.4
415.10196	46.4
433.11328	60.7
601.67755	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.15
Annotation	Procyanidin B2
Peak:m/z	Relative Intensity
55.01860	1.7
65.03920	1.3
67.38872	0.9
68.99787	6.1
70.06588	1.0
70.62386	1.2
70.62737	2.6
76.32524	1.0
81.03412	1.9
89.03857	1.3
93.03414	1.3
95.04990	2.2
99.04454	1.4
101.74039	0.9
107.04941	3.6
109.02876	3.5
111.00792	2.4
111.04465	2.5
119.04908	1.3
121.02843	1.7
123.04436	64.2
127.03923	100.0
131.04958	2.9
131.31104	1.0
135.04422	31.6
137.02399	5.1
137.03311	0.9
137.06006	1.3
139.03909	73.7
143.04903	1.3
145.06491	1.2
147.04430	9.3
149.02354	5.8
149.05916	2.2
151.03918	16.2
153.05399	1.4
157.06473	1.4
159.04410	3.1
161.05966	4.2
163.03915	43.0
165.05505	7.2
167.03412	8.1
169.06464	2.6
173.05974	3.3
174.98039	1.3
175.03883	5.0
177.05464	4.9
179.03387	6.0
181.06453	1.4
185.06012	1.5
187.03903	6.0
187.07527	1.1
189.05473	2.8
191.03403	15.5
193.05006	5.9
197.05911	3.0
201.05492	9.5
203.03397	14.1
203.06960	1.6
205.04955	3.0
207.06393	1.3
213.05446	3.1
215.03326	1.7
215.06981	2.9
217.04930	3.2
225.05298	1.7
229.04967	8.9
231.06516	4.1
233.04449	8.2
237.05595	1.0
241.04897	2.5
243.06595	5.5
244.87312	1.0
245.04425	9.9
247.06042	27.5
251.05455	1.8
253.04994	2.1
255.06493	2.1
257.04462	19.4
259.06030	15.8
269.04434	5.8
271.03140	1.2
271.06039	21.1
273.07590	2.2
275.05484	23.7
283.06015	10.7
285.07620	1.2
287.02298	1.8
287.05505	33.9
289.07089	12.8
291.08618	13.7
297.07349	1.9
299.05453	4.8
301.07089	21.9
303.08786	4.9
315.08484	1.2
409.09177	37.0
410.09412	1.6
411.10498	3.5
421.08783	2.0
427.10336	7.5
435.10614	2.4
439.10040	1.8
453.12042	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1501
Annotation	ent-Epicatechin-(4alpha->6)-ent-epicatechin
Peak:m/z	Relative Intensity
51.02369	0.7
53.03951	0.7
55.01875	1.9
65.39048	0.6
67.01857	0.7
68.99805	4.5
70.01256	2.8
73.12418	0.6
79.05501	0.8
81.03417	2.7
89.03922	0.8
91.05501	0.8
95.04963	2.0
99.04468	1.0
102.40526	0.6
107.04970	3.6
109.02885	2.4
111.00813	2.9
111.04436	2.0
117.03357	0.8
119.04971	1.8
121.02884	1.8
123.04436	39.4
127.03923	100.0
131.04926	1.1
135.04422	28.2
137.02356	2.2
138.86580	0.7
139.03908	41.3
141.06984	0.8
147.04417	4.9
149.02344	4.0
149.05956	1.5
151.03915	7.9
155.04893	0.8
159.04472	2.4
161.05980	3.2
163.03915	33.2
165.05481	5.4
167.03410	7.2
169.06502	2.3
173.05991	3.0
175.03925	3.8
177.05440	3.8
179.03436	2.7
187.03851	4.2
187.07442	0.9
189.05531	2.0
191.03398	12.0
193.05006	2.9
197.05981	3.0
201.05469	6.1
203.03389	6.8
203.07060	1.2
205.05052	2.7
207.06467	1.2
213.05563	1.9
213.35547	0.7
215.03542	1.5
215.06960	3.1
217.05107	1.5
227.07120	0.9
229.04965	6.6
231.06535	1.7
233.04506	4.8
241.04971	1.2
243.06636	4.8
245.04555	5.1
247.06052	12.9
251.05531	0.8
253.04958	1.1
255.06641	1.2
257.04428	8.5
259.06055	9.0
269.04492	2.1
271.06024	15.3
273.07550	1.1
275.05508	12.4
283.06027	5.6
287.05505	16.8
289.07086	9.9
291.08630	9.0
297.07697	0.8
299.05591	3.3
301.07074	9.9
303.08630	1.7
409.09164	19.6
411.10861	1.9
427.10214	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	577.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.8
54.82260	1.9
55.01880	18.0
55.05513	27.0
57.03441	7.0
57.07098	2.3
62.34881	2.2
65.03950	3.9
67.05509	51.8
69.03428	3.6
69.07070	23.1
69.92155	4.8
69.92551	3.4
70.43878	1.7
71.05003	3.6
79.05073	3.6
79.05499	46.9
81.03423	2.5
81.07063	100.0
83.04986	7.3
83.08620	14.3
85.06541	6.6
91.05480	47.4
93.06483	3.6
93.07047	37.4
95.04971	7.9
95.08614	31.6
96.46172	1.8
97.06544	27.0
97.10175	7.2
98.98508	3.1
99.04382	2.3
99.08085	2.4
101.49529	1.9
102.76566	2.0
103.05459	3.3
105.07039	60.5
106.57913	1.8
107.04966	15.9
107.08602	37.3
109.06520	9.4
109.10163	12.2
110.84525	1.9
111.08094	3.4
113.06012	2.4
117.06999	14.3
119.08592	40.7
121.06525	6.2
121.10158	20.4
123.04385	2.1
123.08082	6.3
123.11716	26.1
124.21407	1.9
125.09655	7.1
127.07623	2.3
129.07016	4.1
130.48138	2.0
131.08560	17.5
132.56857	1.8
133.10150	22.0
135.08054	5.6
135.11685	6.2
137.09666	3.1
137.13278	2.0
141.07016	3.0
143.08568	4.9
145.10138	16.8
147.11700	60.7
147.12819	4.1
149.02362	6.6
149.09619	21.3
149.13235	2.5
151.11234	2.9
154.39427	1.8
155.01064	2.7
155.08521	2.2
157.10143	4.8
159.11722	7.3
161.09676	2.0
161.13272	5.2
163.11166	10.2
165.12785	18.8
171.10237	1.9
171.11685	5.3
173.13278	7.0
175.11127	3.2
183.11665	2.0
183.13899	2.4
187.11208	2.6
189.11241	4.0
227.12787	8.0
229.14395	4.7
229.19476	4.9
239.17972	4.1
247.20525	3.0
257.19040	9.9
267.15936	46.6
275.20084	72.9
285.16962	37.8
293.21161	6.5
334.52127	2.0
349.23764	35.9
360.21274	2.0
437.25430	3.6
463.30756	2.5
541.34698	3.1
559.36389	31.9
577.37292	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	577.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	9.5
55.01866	23.3
55.05523	27.3
57.03428	15.4
57.07068	6.5
65.03945	5.3
67.05510	86.5
69.07066	17.1
71.48505	8.2
71.53000	4.8
76.16624	4.9
79.05495	86.9
81.03428	8.8
81.07062	82.1
83.04982	24.7
83.08622	16.5
83.23666	4.6
85.06530	8.8
91.05485	100.0
93.07050	98.2
95.04968	19.7
95.08624	45.7
97.06542	13.9
97.10181	11.4
105.07047	71.8
107.04966	20.0
107.08610	51.9
109.06502	8.9
109.10163	16.7
111.04481	26.5
111.08067	9.3
117.07063	31.0
119.08583	82.2
121.10133	51.9
123.08073	6.2
123.11707	8.4
129.05493	5.7
129.06990	20.2
131.08565	40.7
133.10155	51.2
135.08060	5.4
135.11699	41.1
143.08559	11.9
145.06425	5.8
145.10161	55.8
147.11705	55.3
149.09625	10.1
149.13316	8.9
153.12709	13.0
155.08553	11.9
157.10170	8.7
159.11690	32.9
161.13274	40.5
163.11188	40.8
163.14886	8.0
171.11670	23.9
173.09651	20.6
173.13287	10.8
175.14821	24.1
181.12328	16.0
185.13234	8.1
191.10695	24.1
199.14835	10.9
209.11690	12.6
217.19511	8.2
227.12790	22.5
231.20966	5.7
241.19501	43.0
257.19080	6.7
259.20593	75.9
265.14380	19.0
267.16077	7.6
275.19968	16.3
277.21719	9.0
283.15384	48.3
296.16031	5.6
301.16483	37.2
315.23016	9.5
333.24222	44.8
335.25803	8.9
467.31567	7.8
513.35724	6.1
541.35083	18.8
559.35974	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03971	11.6
54.30202	14.3
55.05510	28.2
57.04012	11.3
58.63792	12.7
67.05495	39.8
69.03418	18.2
69.55543	80.9
70.06593	17.7
72.08103	16.5
79.05484	12.6
81.03397	37.5
81.07062	89.5
91.05478	25.5
93.07029	36.1
95.08608	35.5
99.08051	11.8
105.07018	56.8
107.08589	17.3
109.02864	24.6
110.14252	12.9
113.65199	12.7
114.88547	13.4
115.05476	13.0
119.08569	36.7
121.10133	26.9
123.11709	29.8
127.03880	27.6
131.04987	14.2
133.10138	12.5
145.17012	11.9
147.11694	84.3
165.12749	42.4
187.03885	100.0
229.14372	29.9
232.85205	12.4
249.75026	14.1
315.04947	33.3
317.25220	16.7
337.16397	18.9
355.17456	19.6
383.11038	20.1
415.41626	13.0
436.75812	12.8
487.59833	12.7
507.47260	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	577.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	2.3
69.03421	5.8
71.48224	1.8
72.46626	1.4
73.04758	1.4
81.71552	1.4
84.08133	6.7
85.02940	1.8
86.09663	1.4
87.96738	1.2
97.02919	1.4
98.06085	2.0
98.97591	5.2
110.97584	1.6
112.07612	65.6
116.98627	1.3
117.03445	3.2
123.04398	2.2
128.98589	1.9
135.04462	3.6
139.03922	1.6
140.05592	4.1
143.00038	1.4
145.02762	2.1
152.05582	1.7
158.06625	33.5
158.99675	1.6
160.06358	1.7
160.07610	4.8
162.06149	2.1
163.03906	18.9
166.06262	1.6
170.06628	12.7
170.99658	2.0
176.07683	13.9
183.00851	1.8
184.08194	1.6
188.07718	29.6
190.07419	1.7
195.05132	2.5
196.08269	9.6
210.06186	1.7
214.09265	26.3
219.01845	2.4
221.02950	3.1
224.07695	35.5
224.09927	2.0
225.10786	2.0
227.54581	1.7
233.57143	1.3
240.07193	58.9
241.07425	1.6
242.06659	1.9
242.08810	22.9
251.10057	1.4
251.12375	8.2
258.08261	1.7
263.12421	3.0
268.06723	1.8
269.13419	2.3
274.09396	2.4
276.10806	3.3
281.13501	7.5
286.09305	3.1
288.10831	5.0
302.08624	4.3
314.08743	13.2
320.09799	4.6
332.09808	100.0
350.10876	93.6
351.11084	2.0
373.12448	3.6
443.09589	2.1
448.10843	3.5
530.63544	1.5
577.12970	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.1
55.05515	4.6
58.99579	2.9
64.61449	0.8
65.38359	0.9
67.05502	1.3
69.03423	1.7
69.07075	2.7
69.18592	6.8
69.18993	2.2
70.02952	3.7
70.06600	4.7
72.08153	5.5
75.58685	0.9
76.02242	1.3
79.05492	1.5
81.07049	1.9
83.04979	8.6
84.08121	2.7
86.09720	3.2
88.03491	1.6
88.03998	23.2
91.05476	4.2
93.07040	2.6
99.02685	1.3
100.11247	6.3
105.07033	22.6
106.07848	1.2
107.08607	11.0
108.08145	1.3
109.06516	1.5
111.02687	4.8
115.29746	1.0
119.08595	12.6
120.01149	1.0
120.08105	0.9
121.06503	1.5
121.10149	3.4
122.02731	1.5
122.09653	2.2
123.08061	1.5
125.04229	5.1
131.08562	3.7
133.06531	4.8
133.10153	5.8
135.11707	1.1
137.04207	26.8
139.05782	18.9
140.05350	1.5
144.07901	1.1
144.09261	1.3
145.10139	4.1
147.08028	2.9
147.11694	18.8
151.05765	2.2
159.11703	11.5
160.12469	1.9
161.09642	4.2
161.13272	12.1
163.05768	3.8
165.03729	1.7
165.07350	3.3
165.12726	1.1
166.06879	4.2
167.05272	3.2
171.11739	2.1
173.09662	1.3
174.10426	2.3
179.05275	1.1
179.08907	6.0
180.08391	2.8
181.10452	12.8
187.11218	5.5
188.12012	1.2
189.12759	25.2
191.14375	8.5
193.10455	5.5
205.10518	2.0
205.14648	2.3
208.07925	1.6
212.07408	7.5
217.04932	1.6
221.09972	14.5
223.11526	30.0
226.09013	6.4
235.05714	1.1
251.11014	1.6
252.10513	5.4
253.11255	1.0
254.08521	1.4
283.05994	1.3
292.13684	2.2
293.12012	4.1
310.14728	100.0
311.15121	1.8
355.07086	1.2
498.33041	1.0
540.67902	1.2
551.20367	1.0
576.22400	4.0
576.30945	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.6128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.7
55.01869	1.2
55.05512	44.1
57.07076	65.0
59.23640	0.9
65.03931	3.5
65.88813	0.9
67.05505	62.6
68.05824	1.3
69.07068	71.4
71.04998	1.5
71.08630	52.5
71.48601	1.0
79.05498	19.2
79.05962	1.0
81.03819	0.9
81.07055	93.1
81.60701	0.8
83.08620	63.3
84.08978	1.2
85.06557	2.1
85.10185	31.4
85.51806	0.9
87.04456	3.7
91.05495	7.9
93.07046	16.4
94.07400	1.1
95.05004	1.4
95.08607	100.0
96.08949	2.1
97.06532	1.2
97.10172	50.0
99.11741	3.5
105.07040	4.5
105.07633	0.8
107.08607	5.4
109.10158	54.5
110.10521	0.9
111.08051	1.6
111.11722	33.0
113.13305	1.5
119.08562	2.9
121.10142	7.1
123.11713	22.8
125.13271	14.8
127.14827	2.1
133.10150	2.3
135.11655	5.4
137.13251	10.2
139.11398	1.1
139.14830	5.4
141.16391	1.7
147.11691	2.0
149.13266	3.4
151.14848	7.8
153.12685	1.0
153.16350	2.3
161.13243	1.2
163.14804	2.0
165.16396	8.5
168.78146	0.9
175.14864	1.7
179.17995	3.3
193.19525	1.8
239.23793	4.3
263.23779	3.9
263.27356	1.0
265.25394	3.7
291.30469	1.2
297.69623	1.0
305.31955	0.9
347.36768	1.4
361.38235	1.8
427.63629	0.9
547.55444	1.0
557.60248	10.7
575.42297	3.3
575.50281	84.4
575.60895	9.6
576.50726	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.3
55.05503	2.0
56.02760	0.5
56.05030	0.9
58.06600	9.3
64.57139	0.4
68.05034	0.8
69.03436	0.8
70.06595	9.5
71.48581	0.6
72.04486	0.5
72.08157	29.8
75.58524	0.4
79.05463	0.7
84.04507	1.8
84.08139	4.9
85.08942	0.8
86.02100	0.4
86.09711	4.7
91.05475	0.8
96.08147	0.7
98.06078	2.5
98.09700	1.2
100.11259	100.0
107.04958	3.3
110.07120	0.5
114.09168	0.8
117.13894	9.7
119.04955	1.9
123.04453	2.3
126.09173	1.9
129.10223	1.1
133.27113	0.5
137.05946	0.5
139.03889	2.3
139.05571	0.4
143.11794	6.9
147.04431	2.1
151.03920	1.3
163.03970	0.8
165.07083	0.9
167.08607	0.6
169.06505	0.6
179.03375	2.6
181.06529	1.4
197.06001	0.8
199.07549	1.0
203.03471	0.8
205.04877	0.6
205.06668	0.8
209.05937	1.3
211.07559	1.7
213.05470	7.7
215.07042	1.3
223.07684	0.7
224.04677	0.5
225.05600	0.8
227.07072	4.5
229.04883	0.6
231.06586	0.9
237.05457	5.7
239.07024	10.4
239.09280	1.0
241.04956	38.4
242.05592	1.2
243.06610	0.9
250.45190	0.5
251.07089	2.0
252.07222	0.5
255.06506	10.0
257.08099	1.3
263.07120	0.6
264.10236	0.8
265.05075	1.4
265.08749	0.6
267.06552	1.3
269.04608	0.9
269.07745	0.6
272.12152	0.6
279.06671	0.9
281.08099	26.7
282.07657	6.0
283.06015	19.9
285.07547	2.5
287.05576	1.1
297.07635	1.3
299.05481	1.7
306.07599	0.5
307.05923	3.1
308.09296	0.6
309.07602	3.7
310.14758	0.8
325.07254	1.0
327.04227	0.5
334.14420	7.7
352.15576	2.0
354.13275	0.8
378.13626	0.5
379.20270	4.3
385.02792	0.5
396.14270	3.5
397.21234	1.7
399.19135	2.3
405.09979	0.9
421.09235	1.1
423.19168	2.1
441.20111	7.6
451.09860	0.6
459.21298	7.8
512.15814	1.1
530.16498	0.9
540.15271	0.9
554.50360	0.5
557.21289	3.4
575.22375	71.2
576.22632	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	575.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	4.2
55.05505	1.2
56.05027	2.2
58.06604	7.4
58.55487	0.5
60.04547	0.6
60.41584	0.6
61.01140	2.4
68.52606	0.5
68.99807	0.6
69.03410	1.1
70.06596	69.5
70.94779	0.6
71.49043	1.3
72.04516	1.4
72.08160	42.8
74.06097	0.7
82.23066	0.5
84.04499	4.3
84.08159	3.8
85.02908	1.4
85.08928	0.9
86.09714	11.1
87.05623	0.9
96.08121	0.8
98.06033	0.6
98.09729	0.6
99.05623	0.6
100.11261	81.5
104.05332	2.5
107.04944	2.3
110.07246	0.7
112.07616	4.6
114.09164	6.2
115.08736	0.9
117.13895	7.2
123.04460	2.2
125.07938	0.7
126.09170	9.3
129.10202	1.4
133.06099	4.2
136.07593	1.1
137.02342	2.1
137.05994	1.1
139.03941	1.5
144.75148	0.6
147.04390	1.5
153.07031	2.1
155.08119	0.9
160.07928	4.0
163.03940	1.2
167.08324	0.7
171.11374	0.6
176.68968	0.6
179.03452	1.0
181.06528	2.2
181.09770	1.1
183.14937	19.0
187.04012	0.9
189.05489	1.1
197.05969	0.8
199.07539	1.1
199.10684	1.0
199.48384	0.6
201.12477	0.8
205.10197	0.9
209.06026	1.4
209.09273	1.0
211.07631	1.3
211.14438	13.8
213.05545	2.3
215.03522	1.0
215.08713	0.7
217.05006	1.2
227.07095	2.7
229.11984	0.9
233.09634	1.9
237.05672	1.1
239.07092	1.8
241.04951	2.8
241.08574	3.0
243.06615	0.7
243.08795	0.7
246.14548	2.0
251.07109	0.7
255.06548	20.0
257.08179	4.5
269.08093	6.4
279.06519	0.8
283.06021	29.4
285.07745	1.1
297.07562	7.5
299.05673	0.9
312.13794	1.4
325.07208	1.0
326.17151	1.8
330.15027	0.7
330.24866	0.7
343.19766	26.5
352.15555	1.8
370.16528	1.7
396.14548	3.4
414.15662	1.2
415.22885	2.8
441.20547	0.8
443.23264	1.2
444.24774	1.1
459.21198	8.4
471.21329	1.0
512.15881	1.7
530.16608	2.4
557.20441	3.7
575.22388	100.0
576.22772	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	574.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	4.1
57.03449	1.9
57.06796	1.5
57.07079	27.0
67.05515	6.8
69.07072	3.4
70.06596	0.8
71.08630	12.9
71.48755	1.1
77.88325	0.8
79.05491	2.5
81.07065	10.3
83.08636	6.4
85.02936	0.8
85.10191	5.8
87.04474	100.0
89.06033	2.0
91.05482	4.2
93.07052	3.2
95.08614	12.5
97.10183	1.6
105.07044	1.8
107.08580	1.6
109.10162	4.7
111.11721	1.3
119.04937	1.0
119.08572	1.0
121.06535	5.5
121.10174	1.0
123.11717	2.3
127.03918	0.9
131.07065	1.3
135.11678	1.1
147.08116	1.5
149.09627	0.9
165.09140	1.7
191.00067	1.0
209.11731	1.2
219.12300	2.4
233.19057	3.9
239.23737	11.4
256.26596	1.1
257.24649	2.6
261.22202	1.1
277.21655	3.3
313.27396	34.3
331.28406	5.3
346.27075	0.9
414.17270	2.5
427.17154	1.0
443.20837	1.3
458.15906	1.1
469.18994	1.5
481.03714	1.0
487.19855	1.3
498.22156	0.9
500.21149	1.3
530.23016	1.2
574.23438	13.3
574.39325	7.4
574.49023	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	574.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	7.7
57.03440	4.2
57.07082	51.2
58.56007	2.9
62.17895	3.0
64.19693	3.2
65.09127	2.9
67.05507	23.6
69.07070	12.3
70.00154	15.5
70.06568	4.9
71.08641	48.1
79.05495	13.5
81.07059	24.5
83.08618	12.8
85.10156	16.7
88.07655	8.0
89.06020	4.4
91.05473	8.3
91.92101	3.0
93.07056	11.8
95.08614	38.1
97.10158	9.3
102.09167	3.7
105.07027	4.5
107.08640	4.5
109.10162	17.6
121.10180	4.0
123.11714	5.7
125.13249	3.3
128.29282	3.8
131.08598	3.3
161.56882	3.3
161.63031	3.2
175.14954	3.8
239.23717	34.2
247.57973	3.5
256.26440	38.4
256.29089	4.6
257.26709	12.4
261.22171	3.5
313.27386	100.0
331.28491	11.5
539.28723	5.0
573.48724	4.0
574.24152	6.5
574.49390	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	573.4882
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.0
53.99104	1.0
55.01847	1.7
55.05514	27.0
57.03428	1.0
57.07077	38.4
65.03934	3.4
67.05506	59.7
69.07071	31.8
69.07459	1.2
69.49714	6.4
71.04971	1.6
71.08244	1.4
71.08637	25.3
79.05495	34.6
80.05862	1.8
81.07059	55.2
82.07393	1.0
83.04971	1.4
83.08155	1.6
83.08623	23.2
85.06551	1.7
85.10179	14.1
87.04464	1.5
91.05489	20.7
92.05830	1.4
93.07047	37.6
94.07362	1.7
95.04948	3.7
95.08608	51.8
96.08913	1.1
97.06537	1.8
97.10174	14.6
98.13142	1.1
98.20696	1.0
105.04514	1.4
105.07034	14.7
105.08403	1.1
107.08597	18.0
109.10159	20.7
111.08092	1.4
111.11730	4.9
112.27431	1.1
117.06998	3.3
119.08570	8.9
121.10144	15.1
123.07996	1.1
123.11691	8.6
125.13318	2.1
131.08600	6.8
133.10123	8.8
135.11705	12.6
137.13289	2.6
145.10138	4.6
147.11696	5.0
149.13281	5.3
159.11694	3.6
161.13280	3.0
163.14838	2.0
165.16400	1.2
173.13266	2.3
175.14830	3.8
177.16302	1.3
187.14859	1.9
221.22632	1.1
225.72571	0.9
239.23694	5.9
243.21146	1.9
261.22217	7.4
263.23782	1.4
311.25665	1.6
313.27432	3.4
317.24844	4.1
426.66226	1.1
499.45355	1.4
573.48730	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	7.3
55.05508	23.2
57.03432	4.3
57.07067	6.4
61.02912	4.4
65.76280	3.6
67.05512	34.0
68.99779	4.5
69.03436	32.5
69.07072	48.6
70.01526	17.5
70.06593	21.4
71.04989	9.1
72.08144	3.9
79.05503	24.8
81.03425	25.3
81.07059	89.7
82.01680	4.0
83.04967	8.5
83.08626	20.5
84.08140	5.3
85.02908	38.1
85.06547	11.2
86.09708	5.9
87.00820	14.6
91.05496	23.2
93.07047	40.5
95.04958	13.5
95.08614	100.0
97.02883	13.1
97.06533	8.7
97.10163	22.6
97.70895	5.0
98.20852	5.6
99.04460	7.9
99.08090	7.9
105.01880	9.2
105.07040	26.4
107.08579	42.1
109.02892	17.7
109.06507	16.2
109.10155	51.5
110.99622	3.8
111.04487	5.2
111.08050	18.5
111.11743	10.9
115.03907	5.0
117.07025	6.4
119.08601	24.3
120.08088	5.0
121.06499	5.6
121.10136	28.1
123.04396	5.8
123.08047	7.0
123.11702	31.4
125.09633	14.8
127.03910	24.9
131.08588	17.8
133.06432	5.1
133.10136	15.3
135.08047	8.2
135.11707	24.9
137.09598	8.9
137.13202	7.8
139.11208	10.7
139.50325	4.2
141.09048	4.9
143.08632	4.9
145.04936	6.4
145.10115	15.0
147.11688	15.7
149.13268	14.9
151.14816	11.9
155.08603	4.6
157.10158	9.7
159.11697	12.6
161.13210	10.1
163.07542	5.7
163.11090	5.9
163.14879	9.2
165.12730	6.1
169.10130	6.9
171.11700	7.0
173.09663	6.8
173.13297	12.0
175.07750	4.2
175.11133	7.8
175.14778	6.4
179.14336	5.6
181.10243	5.6
183.11586	4.6
184.66142	4.4
185.13268	4.4
187.11211	4.4
187.14929	6.4
189.16444	4.7
191.10635	5.7
197.13388	9.7
199.14812	4.2
213.12830	5.0
215.17920	5.7
231.04947	4.0
233.18828	4.1
242.30324	4.8
246.11319	9.0
271.24393	5.0
289.25192	10.7
303.22391	4.0
307.26205	18.2
317.24646	5.5
325.27374	7.0
346.83160	4.2
368.13754	5.7
397.27261	13.7
401.45251	4.4
415.28641	18.8
417.79898	4.4
501.28699	8.5
519.29291	11.0
537.29889	4.8
573.18018	7.5
573.27936	8.8
573.48590	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	573.3037
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
55.05511	4.4
57.03430	4.8
57.07081	26.9
63.43737	0.9
67.05505	16.0
69.07063	4.7
69.13255	2.0
69.13654	9.6
69.53792	1.0
71.08633	20.9
79.05487	5.0
81.03416	4.4
81.07063	15.4
83.08612	7.9
85.10190	12.0
87.68578	1.1
89.05985	1.3
91.05489	3.4
93.07062	6.1
95.08604	16.9
97.10159	3.9
98.97874	2.2
98.98476	29.1
99.04493	1.4
105.07028	2.3
107.08606	2.6
109.02866	3.3
109.10161	12.2
110.10518	1.2
111.11736	2.1
117.07089	1.5
119.08592	2.0
121.10113	1.8
123.11725	2.0
133.10136	2.0
135.11700	2.5
140.78793	1.1
149.13159	1.6
155.01050	26.9
159.11687	1.4
173.02104	1.4
239.23712	5.3
261.22025	1.9
313.27371	100.0
314.27545	2.1
317.06357	4.2
335.07141	2.4
346.66861	1.2
351.63452	1.2
370.44000	1.1
383.24152	1.5
384.24493	5.4
386.12363	1.4
393.23846	4.5
401.14832	2.9
401.28857	2.8
402.15347	2.0
415.16266	1.8
431.19354	1.8
444.16513	3.5
458.18069	2.6
537.28284	1.6
541.19025	2.0
573.21973	24.1
573.41711	0.8
573.48901	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	573.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.6
57.07066	2.6
61.98737	1.3
64.21681	1.5
65.51950	1.4
67.05495	4.3
69.07079	3.2
69.14783	16.3
79.05505	5.2
81.07059	4.4
83.08615	1.8
91.05494	4.2
93.07066	3.5
95.08640	4.2
97.10168	2.5
97.87228	1.4
105.07032	2.3
107.08595	1.5
109.10214	2.0
134.06053	4.0
151.94897	1.7
158.09618	1.7
159.09177	2.8
164.87714	1.6
171.09210	1.9
183.09209	3.6
185.10835	1.6
187.08693	2.8
191.23723	1.3
194.09764	1.5
195.09308	2.1
196.10017	4.2
197.10780	8.1
198.11472	3.7
199.08743	4.3
199.12386	2.3
209.10847	5.0
210.11606	6.4
211.08638	3.3
211.12328	3.7
212.09590	2.0
213.10172	3.6
223.08691	3.4
223.12358	2.0
224.09415	7.4
225.10292	5.3
225.13872	12.2
226.11047	3.1
227.08185	7.8
227.11777	3.8
237.10333	8.2
238.11086	5.9
239.11815	18.7
240.12680	7.5
241.09808	11.2
241.13286	4.7
251.11873	3.7
253.13379	49.1
255.11346	5.7
255.15279	1.7
283.10791	4.2
288.11389	6.4
297.12442	4.8
299.11737	2.4
300.11841	2.6
301.12375	2.8
302.12903	17.0
302.16129	2.2
303.13599	8.9
304.11356	1.5
314.13013	2.5
315.13446	9.3
316.14462	15.3
317.15231	13.8
318.12656	2.9
318.15988	11.6
329.16248	2.8
330.16092	7.8
331.16833	13.8
332.10535	6.1
332.14075	1.4
332.17569	31.6
342.12491	3.0
343.13318	2.9
344.14059	2.0
344.17746	2.3
345.11252	3.7
346.12027	17.1
346.19128	38.9
347.12775	5.7
347.19931	32.7
348.20618	7.2
358.15594	15.2
360.13477	18.0
361.14215	14.3
362.14996	16.4
372.17175	5.7
374.14758	3.6
374.19012	8.9
375.15836	23.3
376.16595	36.6
390.18155	100.0
391.18939	42.4
392.19736	6.7
423.14941	3.9
435.18143	4.4
497.25983	1.9
507.20242	1.8
511.27271	6.0
523.23334	4.9
525.21393	2.1
529.28168	26.6
537.24915	14.0
555.26093	85.4
556.25018	2.4
558.24261	2.6
573.27179	61.3
573.48828	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	572.3657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.5
55.05516	8.4
56.05040	1.0
57.05840	1.0
60.80355	0.4
67.05509	0.6
69.03437	1.0
69.07079	0.9
70.06600	4.4
71.49269	0.5
72.08159	100.0
73.08481	0.7
76.20340	0.4
81.03432	0.9
81.07044	1.2
83.04991	0.6
84.04500	0.5
84.08156	2.1
85.02921	0.9
86.09709	89.6
87.10062	0.7
88.03976	0.9
88.61160	0.5
91.05479	0.9
93.07039	0.5
95.08614	0.9
97.02897	0.6
107.08585	1.2
109.02879	0.5
109.10140	0.9
118.13219	0.4
119.08613	0.5
120.08082	1.3
121.10106	0.9
125.09621	0.5
127.03924	0.5
127.08672	0.7
129.10255	0.6
130.04948	0.5
132.10181	1.2
133.10130	0.7
135.11580	0.4
136.07515	0.7
138.09166	1.0
141.10201	0.6
142.08627	0.9
144.28024	0.4
147.11629	0.6
154.15871	1.0
156.10214	0.7
157.13393	2.6
161.09416	0.5
169.09630	0.6
183.11285	8.0
185.16518	5.6
187.10803	3.8
197.12518	0.4
199.17949	0.9
201.12331	11.8
213.15990	7.9
215.10202	1.9
227.17491	0.9
229.11841	20.2
245.16072	0.6
245.18605	11.7
264.42880	0.5
282.18146	1.0
283.16568	0.7
297.18085	0.7
300.19186	4.5
306.24948	0.5
307.26196	0.6
310.17432	0.9
327.03387	0.5
328.18689	45.0
342.20123	1.1
344.25162	1.9
356.18277	0.6
395.26193	1.3
396.24597	0.9
413.27673	6.1
441.27191	6.2
455.28076	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.4361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.2
55.01863	15.0
55.05274	5.8
55.05515	68.2
57.03424	3.9
57.07065	10.7
59.04963	3.1
65.03947	5.2
67.05508	76.5
69.03426	6.0
69.06730	5.0
69.07069	54.5
71.05001	5.5
79.05067	5.0
79.05495	61.6
81.07063	85.1
83.04963	9.0
83.08616	36.2
85.06526	4.2
91.05472	52.1
93.07053	60.4
95.04948	6.0
95.08606	67.4
97.06512	17.8
97.10169	36.3
98.21529	10.1
105.07034	74.4
107.04918	4.4
107.08596	49.4
109.10152	42.9
111.08090	4.2
115.05415	8.0
117.07016	47.7
119.08578	45.6
121.10133	26.4
123.11667	12.0
125.09628	29.0
128.06157	3.8
129.07033	27.8
131.08575	75.7
133.10156	42.2
135.11656	14.9
137.13281	4.6
141.07021	8.0
142.07800	7.4
143.08560	32.8
145.10132	63.7
147.11684	25.3
149.13213	10.1
155.08540	12.7
156.09271	3.9
157.10136	28.7
159.11707	50.8
161.09593	3.4
161.13231	17.4
163.11229	3.6
169.10104	10.7
171.11702	30.5
173.13234	41.6
175.14819	6.6
181.10170	4.3
183.11722	15.5
184.12248	3.8
185.13263	23.1
187.14809	22.9
189.11206	14.9
195.11729	9.1
197.13264	11.9
199.14807	16.3
201.16347	13.6
209.13257	7.9
211.14912	7.5
213.16357	8.4
215.17900	11.6
223.14912	4.3
225.16370	5.6
227.18079	4.6
229.19537	7.8
241.19470	4.6
251.20114	4.0
263.20035	5.2
271.20364	4.1
275.20074	9.5
277.21640	10.6
289.21573	5.4
297.22107	7.9
301.21701	5.3
303.23224	5.3
313.25208	4.0
315.23257	7.5
317.24777	6.4
329.24588	4.2
331.26288	3.7
339.26767	4.3
350.90497	3.4
357.27823	5.5
367.29947	9.9
369.27802	6.1
373.31250	7.3
385.31058	100.0
399.32629	5.3
459.34500	15.4
473.36340	5.1
499.38339	4.1
513.39154	7.1
517.40247	16.8
535.41693	22.4
553.42621	91.1
571.36182	6.8
571.43561	79.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.1
55.01871	3.1
55.05512	14.7
55.22197	1.9
57.03419	2.6
57.07068	3.2
58.48220	1.8
59.04998	1.9
65.30465	2.0
67.05516	12.6
68.76955	1.8
68.99766	2.3
69.03432	15.9
69.07072	22.5
70.06583	4.6
71.04986	2.6
71.47810	4.1
72.08143	1.8
79.05486	11.9
81.03424	16.3
81.07058	39.5
83.04971	4.8
83.08620	4.6
84.08143	2.1
85.02911	11.4
85.06538	5.9
87.00819	3.5
91.05487	9.3
93.07047	20.0
95.04971	6.3
95.08614	27.1
97.02895	7.0
97.06506	4.9
97.10167	16.6
99.04451	4.1
105.07039	16.5
107.08588	18.0
107.30695	1.7
109.02894	12.1
109.06507	2.5
109.10153	15.8
111.08099	3.1
111.11724	8.3
119.08591	14.4
121.06401	3.0
121.10133	14.0
123.04396	2.9
123.08051	3.2
123.11710	31.8
125.09624	5.7
127.03925	14.2
129.07040	2.6
131.08583	6.7
133.06537	2.5
133.10133	6.3
135.08061	3.8
135.11694	6.1
137.09662	3.4
137.13292	3.3
139.11182	14.2
143.08569	3.5
145.10139	7.0
147.11691	8.8
149.09622	3.4
149.13225	12.8
151.11166	2.0
152.29892	2.0
153.01857	6.0
155.05547	1.9
155.08588	2.7
157.10217	4.2
157.12265	8.6
159.11681	6.0
161.09492	2.3
161.13289	5.4
163.11214	2.0
163.14751	2.6
169.10161	2.0
171.11690	3.8
173.13300	4.2
175.14836	2.6
177.12756	2.8
179.75186	2.0
181.12161	1.9
189.12733	2.4
189.16434	2.6
213.03914	2.3
213.12746	6.8
231.04836	3.5
264.63266	2.0
287.23837	2.8
305.24698	14.2
323.09018	3.9
323.25790	4.2
333.24295	2.5
350.84729	2.0
367.13260	4.1
372.04312	2.2
389.26904	2.1
395.25684	3.2
413.26993	6.0
431.27908	4.1
449.29205	2.8
517.28040	2.8
571.17780	100.0
571.31598	4.5
572.17877	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	571.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	11.9
55.05507	23.6
57.07070	9.9
61.02943	6.9
64.74668	5.9
67.05498	39.7
69.03436	47.4
69.07072	39.7
70.06592	13.5
71.04980	14.3
71.48736	10.0
79.05495	25.3
81.03418	39.9
81.07056	100.0
83.04971	15.6
83.08626	14.7
84.08147	9.7
85.02901	31.0
85.06548	12.6
87.00846	9.8
91.05474	32.3
93.07053	52.2
95.04961	16.9
95.08605	59.3
97.02915	14.1
97.06528	18.6
97.10144	15.6
99.04464	20.4
99.08094	9.0
105.07039	42.5
107.04966	7.2
107.08612	61.5
109.02893	33.7
109.06501	8.4
109.10163	46.1
111.08090	11.1
111.11713	7.0
119.08581	38.5
121.06464	7.5
121.10159	31.6
123.08076	7.3
123.11731	18.4
125.09647	22.1
127.03913	44.8
127.11195	9.5
129.07050	8.7
131.08578	12.7
133.10126	28.8
135.08055	17.2
135.11694	29.2
137.06039	6.7
137.09650	7.8
141.61636	6.2
143.08562	8.2
145.10176	19.9
147.11703	21.2
149.09663	16.6
149.13284	33.4
151.11139	6.1
157.10123	8.0
159.11743	17.3
161.09621	5.9
161.13298	16.5
163.14841	14.5
165.09190	11.0
165.12776	6.3
169.10361	8.7
173.13324	6.6
175.14912	8.8
177.12744	10.4
187.06055	10.6
189.16362	8.7
191.14355	7.9
203.14308	5.9
209.15320	11.8
213.25845	6.3
231.05101	12.4
247.31059	6.5
277.25388	13.0
305.24683	46.7
323.22208	13.5
323.25873	15.2
459.42703	6.3
571.27411	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	571.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99877	1.1
60.16234	0.7
66.76842	0.6
69.72708	3.2
70.05535	0.8
82.99858	3.2
85.02858	0.8
94.99854	1.1
97.01420	1.6
98.97584	0.8
101.00887	19.5
103.00644	0.9
106.08730	0.7
113.00872	9.8
115.02444	4.6
119.01939	13.9
127.02428	2.2
129.00304	0.8
129.04005	2.6
131.01926	11.6
131.05576	7.8
133.03441	3.9
135.04454	1.4
137.00848	3.1
143.01909	71.3
144.01994	0.9
145.01685	1.4
145.03528	5.3
147.01440	1.4
147.05034	1.7
149.06609	6.3
155.01906	25.7
155.05478	3.8
156.02634	1.6
157.03508	3.9
159.05042	4.2
161.02966	46.8
163.03937	5.1
167.05560	2.5
169.07126	2.1
171.05122	1.8
173.02985	13.4
173.06610	27.0
175.04527	1.6
175.08192	0.8
177.06090	3.5
178.06497	0.9
184.04646	0.9
185.03032	3.1
185.06612	32.1
187.04156	1.2
187.06615	1.3
187.08145	5.5
191.07692	5.8
197.06639	2.6
199.08206	1.8
201.06151	2.4
203.03973	9.4
203.07677	11.9
209.06604	1.8
215.07639	10.5
221.03000	2.4
221.05019	14.8
227.07663	3.6
233.08737	3.3
239.04076	1.5
245.05186	3.7
245.08659	1.1
257.05127	1.9
257.08771	5.5
275.09769	31.1
276.10226	0.9
293.10834	53.5
294.10928	1.3
295.10822	1.6
304.13428	0.8
311.09641	2.2
311.25723	0.8
316.12305	1.0
345.10428	8.8
347.11887	15.1
365.07114	1.7
391.10950	2.1
455.13998	100.0
456.14145	3.6
571.14575	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	571.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	0.4
53.03945	0.6
54.00431	0.3
55.01852	0.4
57.03425	0.6
61.02910	1.1
69.03143	0.3
69.03430	2.9
69.32919	0.6
69.33327	1.7
70.06590	2.8
71.04969	0.5
72.08153	0.6
73.02897	0.4
73.03699	0.3
77.03914	0.3
79.05502	0.5
81.03410	1.3
84.04498	0.8
84.08121	1.0
85.02908	7.4
86.09703	1.1
87.04462	0.5
89.03940	0.4
91.05463	0.7
97.02884	2.1
97.29449	0.3
98.20763	0.5
99.04441	0.3
101.21098	0.3
103.05464	1.0
105.07042	2.7
107.04965	5.0
109.02858	0.9
110.07233	0.3
115.05461	18.5
116.05707	0.3
120.08084	0.5
126.05524	0.7
127.03906	1.0
131.04935	26.1
132.05168	0.3
133.06516	4.8
135.04420	4.3
136.07584	0.4
138.05490	1.0
143.04933	16.2
144.06447	0.3
145.03960	0.4
145.04973	0.9
147.04414	2.6
151.03906	0.3
157.06477	0.7
159.04422	18.1
161.05989	5.2
163.03914	24.7
164.04306	0.3
171.04411	0.4
173.05946	0.3
175.03963	0.5
177.05482	0.6
183.04340	0.4
184.05101	0.3
185.05956	0.3
186.07629	0.4
187.03912	100.0
188.04245	1.8
199.03975	0.4
204.08687	0.7
205.04974	32.2
206.05241	0.3
211.03880	0.8
215.03456	0.8
229.04936	0.5
233.04469	0.5
239.03311	0.3
271.07498	0.5
289.08658	0.4
301.08679	0.3
303.06567	0.8
317.08041	0.4
331.05853	1.4
345.07590	0.8
367.08234	0.6
373.07050	1.7
391.08133	22.3
392.08469	0.4
409.09189	9.2
435.45630	0.3
571.26630	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
55.01883	0.5
56.05043	0.5
57.03429	0.9
61.02917	1.0
65.36520	0.4
66.23028	0.4
69.03424	2.7
69.07051	0.4
69.40679	2.5
69.41084	0.8
69.86932	0.3
70.06604	4.3
71.05009	0.5
71.40562	0.3
72.08153	0.8
73.02885	0.4
77.03880	0.5
79.05468	0.4
81.03426	1.7
84.08129	2.2
85.02904	7.0
86.09695	1.3
87.04460	0.7
91.05479	1.0
97.02895	1.8
98.20857	0.6
99.04433	0.8
100.11285	0.4
103.05464	0.8
105.07039	2.8
107.04308	0.5
107.04967	5.4
107.05662	0.7
109.02879	1.1
110.07126	0.6
115.05462	19.0
118.06533	0.7
120.08051	0.5
125.09628	0.4
127.03876	2.1
129.10257	1.1
131.04935	27.0
133.06497	5.6
135.04430	3.6
136.07538	0.8
143.03792	0.8
143.04927	17.0
145.03946	0.6
145.04970	0.7
146.06004	0.8
147.04420	2.8
155.08163	0.4
159.03072	0.6
159.04425	17.2
161.05997	5.1
163.03912	22.4
175.03854	0.7
179.12823	0.5
183.04388	0.5
187.03909	100.0
188.04196	1.7
191.03421	0.7
191.14342	0.4
197.05832	0.4
199.03893	0.7
205.04973	32.7
211.03836	0.5
215.03406	0.9
229.05093	0.8
245.08127	1.5
247.09697	0.7
263.09134	1.8
291.15479	0.5
303.06546	0.7
317.08005	0.4
331.06122	0.9
345.07599	1.1
363.39035	0.4
367.08093	0.7
373.07123	1.5
391.08127	21.5
392.08713	0.5
409.09207	8.7
433.09341	0.5
457.30487	0.4
571.27063	2.8
571.34875	0.5
574.99768	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.7
56.96547	0.9
57.55734	0.6
58.33294	0.6
58.45932	0.6
58.99860	0.8
65.76325	0.6
69.03412	2.4
70.06574	2.2
71.12672	1.4
77.00875	0.7
81.03419	1.1
82.99881	2.8
84.08126	0.9
85.02905	3.6
94.99853	0.7
97.02894	2.1
98.97581	1.0
101.00880	14.7
103.02430	0.8
109.02852	0.8
113.00854	4.0
115.02429	2.7
116.98554	0.8
119.01925	20.6
127.02425	3.2
129.00301	0.8
129.03986	0.8
131.01915	11.1
131.04918	1.8
133.03459	6.9
133.06433	0.7
137.00826	1.3
137.02956	1.5
139.02423	1.9
143.01904	32.0
143.04944	1.5
145.03487	14.1
145.04759	1.2
147.01392	2.0
147.03120	1.2
148.70992	0.7
149.01183	0.8
149.02959	1.4
151.04506	0.6
155.01895	18.5
157.03470	8.5
159.01357	0.6
161.02965	24.7
163.03970	3.0
167.01907	10.9
168.99826	2.9
169.03426	4.7
171.01401	2.6
171.05031	2.2
173.02966	22.0
175.04572	3.1
179.01886	4.5
181.03391	1.6
183.01485	0.8
184.04564	0.7
185.02965	42.2
187.00972	4.1
187.04303	7.2
189.02437	1.7
189.06064	0.9
191.03998	2.1
196.04376	0.9
196.99280	1.1
197.02969	16.2
199.00865	2.7
199.04570	1.5
201.02539	3.7
201.06088	1.8
203.02176	0.5
203.04010	11.8
203.07648	0.9
205.05003	2.4
209.02893	1.8
211.00917	0.8
211.04546	1.9
213.02484	2.2
215.00398	4.5
215.03992	9.0
217.01981	4.2
217.05659	1.6
219.03516	2.1
221.02975	2.5
221.05081	2.7
227.04013	9.3
228.05888	1.7
228.55998	1.3
229.01982	2.2
231.03542	3.3
239.04044	3.6
241.01952	1.4
243.03532	0.8
245.05080	100.0
246.05247	2.3
247.02869	3.6
253.01952	1.3
257.05118	8.3
259.03052	2.3
263.04120	1.1
263.06210	10.6
271.03012	2.7
275.02905	2.3
275.06213	13.3
289.04022	11.7
293.07321	3.2
293.10233	0.9
295.08728	3.1
301.04114	4.6
303.05664	1.1
305.07162	11.0
307.05145	10.0
315.05731	1.4
319.05145	5.0
321.06821	0.8
331.05209	3.2
333.06870	0.9
335.08218	3.7
337.06134	1.0
343.05115	1.4
349.06104	9.7
359.04532	4.5
361.05945	1.2
365.09497	15.2
377.05661	3.2
383.08255	2.8
391.07458	7.6
409.08569	4.3
444.15646	0.8
469.10272	0.9
511.11295	2.1
539.10822	3.9
571.12134	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	571.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32137	1.0
56.40019	1.4
82.99847	2.2
85.02927	1.6
96.26492	1.2
98.21615	2.6
101.00897	16.3
113.00887	4.5
115.02452	1.9
119.01928	17.3
127.02435	3.4
129.00336	1.8
129.03987	1.7
131.01907	11.1
133.03484	4.0
136.60249	1.1
137.03023	1.7
139.02391	3.0
143.01904	33.5
145.03481	13.1
147.01445	2.0
155.01924	20.0
157.03485	8.7
161.02959	22.5
167.01903	13.4
168.99869	3.9
169.03482	4.1
171.01337	2.9
171.05049	2.9
173.02959	21.2
175.04520	2.2
179.01917	6.1
185.02969	45.2
187.00926	3.3
187.04521	3.8
189.02585	1.6
191.04033	2.9
197.02931	16.1
199.00961	3.9
201.02371	2.6
203.04050	9.5
209.02980	2.2
213.02473	1.4
214.26968	1.4
215.00470	4.6
215.03923	9.0
217.01973	3.8
219.03522	2.4
227.04065	11.7
229.01897	2.1
231.03516	3.5
239.03928	1.5
241.02020	1.4
245.05089	100.0
246.05362	2.7
247.03088	4.0
253.01933	1.5
257.05093	6.7
263.03680	1.6
263.06177	11.9
271.02951	2.2
275.02640	3.6
275.06168	11.8
289.04086	15.2
293.07138	3.3
301.03958	2.5
305.07187	9.4
307.05090	11.2
319.05078	4.5
331.05161	4.1
333.06561	1.7
335.08240	5.0
343.05289	1.3
349.06149	11.7
359.04800	3.3
361.06339	2.2
365.09378	16.8
377.05743	4.3
391.07214	5.3
409.08539	1.9
454.44183	1.3
511.11526	3.5
539.10443	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	570.5095
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.5
53.03951	1.7
55.01884	1.2
55.05513	14.0
56.05040	6.1
57.03439	0.6
57.07077	7.0
57.88187	0.4
58.06605	0.8
60.04527	100.0
65.03942	0.6
67.05506	20.8
68.05038	1.1
68.08670	0.4
69.07071	18.1
69.49170	3.1
70.02942	0.5
70.06592	3.2
71.05013	0.9
71.08633	4.4
72.04520	5.6
74.06078	4.2
79.05494	15.2
80.05028	1.8
81.03426	4.5
81.07056	22.0
82.06570	3.3
83.04974	1.0
83.08617	10.2
84.08155	1.8
85.02939	1.0
85.06543	0.6
85.10169	2.1
86.06065	4.6
88.07612	0.4
89.06050	2.9
90.05562	4.7
91.04907	0.7
91.05482	13.3
93.05791	0.5
93.07042	12.9
94.06582	7.3
95.04971	3.1
95.07351	2.1
95.08608	19.5
96.08140	3.6
97.06538	2.0
97.10178	7.5
98.06049	2.4
99.06850	0.9
100.07655	1.5
105.07037	7.7
105.07696	0.7
107.08599	7.9
108.08113	3.1
109.06567	1.4
109.10156	7.7
110.09705	1.8
111.08095	1.8
111.11725	1.6
112.07613	0.9
114.09169	0.6
116.07111	0.8
117.06990	0.5
119.08574	8.8
121.10136	6.5
121.10925	0.5
122.09681	2.7
123.08081	2.3
123.11698	3.1
124.11192	0.6
125.09647	0.6
125.13302	0.7
126.09200	0.9
131.08556	0.4
133.08632	2.0
133.10121	7.3
134.09663	0.5
135.10609	0.7
135.11734	3.8
136.11249	1.0
137.09657	1.7
137.13277	1.1
147.11688	2.7
149.13329	1.5
151.14838	0.6
161.13177	2.0
163.14877	0.7
168.14018	0.4
175.14886	0.8
177.11224	0.5
219.21138	1.7
222.22339	0.7
233.22705	1.6
234.22227	1.1
237.22269	0.5
238.25407	0.8
245.22710	6.2
248.88062	0.5
250.25308	3.9
252.26826	0.8
254.24866	1.3
260.23877	0.8
262.25314	43.7
263.23688	9.1
263.26196	0.6
266.24872	0.9
268.26416	1.6
272.25858	10.6
276.90961	0.7
280.26358	38.5
298.27396	16.1
314.26852	4.0
316.28470	3.2
324.29187	0.5
326.26889	0.8
336.84262	0.4
344.28021	1.7
356.28030	0.6
371.22800	0.9
504.47623	1.0
516.47729	4.3
534.48810	17.5
552.49896	91.8
553.50165	1.4
565.90961	1.7
570.50958	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	569.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53638	0.7
67.05502	1.3
69.03419	1.0
69.07095	0.7
70.06600	1.5
71.48834	1.0
81.03442	0.9
81.07042	1.9
86.30325	0.7
87.00809	0.9
91.05490	0.8
92.86576	0.8
93.07069	1.5
93.37707	0.7
95.08604	1.1
95.53423	0.6
100.31618	0.6
102.27436	0.6
105.07044	1.5
107.08595	1.4
109.02847	0.7
119.08611	1.3
121.10132	0.8
133.10143	1.1
135.11703	0.7
142.68767	0.6
143.06400	0.8
157.10185	0.8
163.74437	0.6
253.60876	0.8
331.10168	0.9
411.25793	0.7
457.20605	2.2
471.21753	5.1
487.21320	1.2
489.14594	0.7
569.29382	100.0
570.29333	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	12.2
55.01880	11.4
55.05507	16.8
57.03444	7.9
61.02936	5.5
61.93341	3.7
64.77713	3.9
67.05518	37.5
69.03435	39.1
69.07075	38.9
69.76788	4.6
70.06592	13.8
71.05006	6.7
79.05514	22.6
81.03424	39.3
81.07060	42.9
83.04986	9.9
83.08556	4.7
85.02917	43.9
85.06562	7.7
86.09665	6.1
87.00838	23.9
90.40490	4.1
91.05482	23.3
93.07050	38.4
93.66799	4.8
95.04986	21.0
95.05930	3.9
95.08608	48.2
97.02901	30.7
97.06533	55.3
97.10162	9.0
99.04466	16.7
105.01869	16.8
105.07047	29.9
107.08611	42.2
109.02884	32.4
109.06535	11.4
109.10178	72.4
111.08078	13.8
115.07574	4.8
117.01793	4.7
117.07074	5.0
119.08605	34.0
120.08109	3.9
121.06551	7.4
121.10172	30.7
123.08066	8.5
123.11723	11.3
125.09653	20.4
127.03928	48.2
131.08553	11.2
133.06531	4.8
133.10112	26.9
135.08057	8.0
135.11705	23.5
137.05952	8.5
137.09627	8.2
139.11212	24.7
143.08586	4.7
145.04982	15.6
145.10150	19.2
147.11671	23.6
149.09633	12.5
149.13280	16.5
151.11150	6.1
157.10156	7.1
159.02882	14.6
159.11723	33.2
161.09624	9.2
161.13298	8.1
163.11215	6.6
163.14804	4.5
165.12759	14.7
171.11632	5.0
173.13312	8.9
175.14871	11.5
177.12767	28.8
177.16408	8.0
179.41830	4.7
187.14830	10.1
189.16434	14.0
199.14868	5.8
201.16322	5.3
205.15877	4.8
207.13773	4.7
211.14685	9.2
215.14319	5.4
217.15897	4.9
227.18005	4.7
231.05019	5.2
233.15402	6.0
239.11713	7.8
243.20901	4.9
267.21057	8.7
275.23755	4.3
285.22156	33.0
303.23190	100.0
321.24316	12.9
322.47940	5.0
329.00562	4.6
442.23010	5.2
525.26599	6.1
537.20624	4.7
568.08704	5.1
569.24518	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2927
Annotation	Leukotriene F4
Peak:m/z	Relative Intensity
52.63978	0.7
52.99826	0.8
67.34536	0.7
69.03437	1.1
70.06593	1.5
70.10815	1.6
70.11210	1.8
72.23750	0.8
79.05463	1.1
79.62247	0.7
81.07050	1.5
84.08157	0.8
85.02925	0.9
88.04716	0.7
91.05524	0.8
91.24862	0.7
93.07046	0.8
95.08602	1.8
97.06538	1.1
109.10187	0.8
119.08562	1.1
125.09626	1.7
128.88408	0.8
138.40036	0.6
149.13229	0.7
159.11725	0.9
176.47711	0.9
178.10849	0.7
185.04248	1.6
201.03780	1.0
331.10037	1.6
407.24084	1.0
457.20578	1.7
471.22244	1.5
569.29395	100.0
570.29340	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73040	1.5
52.83377	1.9
55.05520	1.9
67.05488	6.2
70.07709	8.0
79.05479	5.5
81.07047	7.3
83.08595	2.0
91.05480	4.8
93.07048	6.0
95.08606	3.6
105.07046	5.0
107.08579	3.8
109.10160	2.3
119.08596	2.3
121.10087	3.2
133.10175	3.1
137.94121	1.7
155.50710	1.6
156.72421	1.6
157.10078	1.7
179.98253	1.8
189.10190	2.2
207.09167	2.1
212.92432	1.8
221.10910	2.0
235.12276	2.2
252.50566	1.8
276.15085	4.0
303.13528	1.9
318.16138	3.9
323.14142	1.7
332.17697	2.0
339.15967	2.6
340.17609	2.0
352.17355	2.7
353.17749	5.9
354.19492	7.2
365.17996	2.1
366.18890	4.1
367.19312	16.0
379.19025	2.3
381.20944	10.1
382.21606	2.8
383.22470	3.0
394.17517	2.5
408.20233	2.6
409.20279	7.7
410.21420	2.7
423.21967	2.4
425.23990	4.0
426.21155	2.3
437.23709	24.4
439.19955	3.2
439.25510	2.7
453.19128	14.4
454.20795	2.4
455.24603	18.2
456.22794	2.8
467.21408	3.2
468.21710	25.2
479.24292	5.4
482.20822	12.1
497.25305	2.4
499.23434	28.8
509.21857	7.6
525.25256	3.7
526.22192	4.3
527.22888	100.0
540.84955	1.9
541.24426	40.0
563.91858	2.4
568.56897	3.5
569.24023	69.9
569.42560	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	568.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48495	0.4
55.05508	0.5
56.05022	1.1
57.05815	0.5
60.04519	1.9
69.06693	0.4
69.07071	9.7
70.06599	9.8
71.09249	0.9
72.08144	1.6
75.05615	1.7
81.04540	0.7
83.06107	4.0
84.04514	1.1
84.08147	0.7
86.09714	100.0
93.04523	2.6
95.06101	3.5
102.05534	0.5
110.07175	64.0
110.83112	0.4
112.03976	9.6
112.08720	0.6
127.05053	0.6
130.06541	0.9
136.07611	0.8
137.06004	0.5
139.05064	1.3
141.06648	1.0
143.11815	7.3
148.08710	0.4
156.07703	72.5
157.07663	1.4
157.09764	1.6
158.05989	1.0
166.06195	1.3
169.06096	4.5
175.08690	2.4
178.13467	0.7
185.07187	0.7
185.09286	1.0
187.07225	0.6
193.10936	0.6
224.77457	0.5
234.12430	0.5
236.14218	0.5
251.15102	3.2
254.15033	2.5
267.15982	1.5
269.11148	0.8
269.16110	17.8
272.16077	8.2
282.14639	0.5
285.17242	0.4
285.40118	0.4
300.15601	20.1
307.87982	0.4
366.14716	2.0
413.23914	2.3
439.26788	1.1
484.92563	0.5
550.29834	2.1
566.89386	0.5
568.30988	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	568.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.9
53.03935	3.5
55.01903	1.6
55.05516	10.9
57.07078	8.6
59.04989	2.4
65.03947	3.2
67.05515	20.1
69.03445	2.6
69.07066	12.1
70.06578	2.4
71.08598	1.5
71.19722	1.8
71.20058	1.3
71.36624	1.1
73.54064	1.0
74.82394	1.0
79.05495	26.8
80.06277	4.6
81.06592	2.5
81.07060	38.9
83.04975	2.3
83.08614	5.1
85.06527	3.7
87.10397	1.1
88.07626	2.2
91.05486	49.1
92.06232	2.8
93.07048	56.5
94.07806	2.3
95.04978	38.1
95.08614	28.0
96.68179	1.1
97.06544	3.0
99.43378	1.1
99.64577	1.1
102.09156	1.6
103.05463	4.3
105.07038	88.4
106.07835	2.1
107.07880	2.4
107.08601	46.2
108.09385	2.3
109.06516	5.1
109.10165	19.2
111.08064	2.6
115.05444	6.8
115.15549	1.1
116.06252	2.8
116.10715	4.5
117.07027	27.1
118.07819	2.7
118.17012	1.1
119.04866	1.3
119.08587	100.0
120.09393	8.8
121.06493	3.2
121.09338	2.0
121.10159	34.3
123.08086	14.6
123.11694	5.2
125.09615	2.6
128.06227	10.0
129.07014	18.5
130.07793	11.6
131.08575	53.8
132.09389	12.2
133.06432	1.3
133.09119	2.7
133.10138	55.9
134.10942	6.9
135.08092	6.9
135.11684	18.1
137.09624	6.8
137.13387	1.2
138.10387	6.7
139.11195	2.8
141.06985	9.5
142.07794	19.8
143.08568	46.5
143.09702	2.5
144.09346	16.6
145.10127	89.1
146.10872	5.2
147.08054	3.0
147.11682	24.8
148.12462	1.6
149.09618	5.2
149.13255	3.9
151.11166	4.1
152.06351	1.1
153.07014	3.9
154.07747	4.7
155.08571	14.4
156.09343	20.7
157.10139	53.2
158.10939	13.2
159.08028	1.8
159.11703	40.8
160.12424	3.7
161.09590	6.5
161.13318	6.8
162.14041	1.3
163.11232	3.1
163.14787	1.6
165.06987	4.2
166.07745	2.6
167.08559	9.9
168.09317	7.3
169.10133	28.6
170.10942	6.8
171.11696	36.7
172.12421	6.6
173.09630	1.9
173.13277	29.4
174.13950	2.1
175.11160	2.7
175.14830	20.2
176.44286	1.3
177.12717	3.7
178.07814	1.6
179.08574	8.6
180.09346	3.3
181.10130	16.1
182.10905	10.2
183.11696	29.6
184.12473	5.4
185.13269	28.4
186.14037	7.7
187.11194	2.5
187.14822	14.4
189.12740	4.2
189.16449	1.7
191.14310	11.9
192.09335	2.8
192.15105	3.3
193.10139	10.0
193.15843	1.4
194.10922	9.8
195.11703	20.3
196.12405	6.3
197.13283	28.7
198.14037	5.6
199.11235	2.4
199.14842	12.8
200.15645	1.9
201.12741	3.6
201.16359	7.2
203.14275	3.5
204.15157	1.3
205.10066	2.2
206.10895	2.3
207.11717	13.0
208.12473	6.2
209.13268	25.8
210.14011	3.3
211.14822	17.5
212.15527	2.2
213.16489	6.2
215.14278	1.5
217.15788	5.9
219.11679	3.4
219.17389	2.4
220.12483	2.8
221.13309	7.7
222.13982	2.1
223.14781	13.4
224.15643	4.3
225.12862	1.5
225.16339	9.2
226.17177	2.3
227.14288	1.3
227.17960	3.3
231.11635	1.7
231.17381	2.4
233.13196	4.2
234.14020	1.9
235.14873	9.7
237.16356	9.3
238.17197	2.0
239.17952	6.6
241.15718	1.7
241.19543	2.2
243.11792	1.7
243.17494	1.8
246.14041	1.9
247.14757	3.5
249.16362	4.3
251.17943	3.5
253.19527	2.2
255.17435	2.7
257.19083	2.6
259.14917	2.0
259.20819	2.2
261.16470	2.5
263.17950	5.9
265.19440	5.9
267.17560	1.4
267.20944	1.8
270.19797	1.2
272.21289	2.4
275.17886	2.8
277.19476	3.3
279.21036	3.1
281.18954	1.3
283.20416	2.4
283.26132	1.7
284.29520	2.6
285.22125	3.5
287.17905	1.6
289.19403	2.0
291.21060	2.4
297.22125	3.0
305.22534	3.2
309.21982	2.1
311.29465	4.8
312.32538	2.0
317.22928	1.6
323.23752	7.5
324.24420	1.8
331.24081	1.5
337.25110	2.9
338.22031	2.5
338.26059	44.7
349.24899	1.6
351.26730	2.7
375.26691	1.4
393.25992	1.3
415.29736	2.2
420.30206	2.9
430.32410	17.1
458.35562	1.9
476.30356	1.7
476.36581	16.8
568.42834	27.4
568.56354	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	567.0236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00455	1.5
69.32619	1.3
69.32967	11.4
96.09686	1.3
98.97576	6.5
116.98634	2.7
143.26277	1.7
192.98769	1.7
213.23195	1.5
214.95676	2.2
216.95389	2.0
216.98946	4.1
222.97903	1.8
232.96855	2.7
233.96771	1.9
234.99997	3.4
240.98856	8.7
256.96799	8.5
257.96799	1.9
258.96442	5.5
258.99976	31.8
260.00043	2.1
260.99823	4.4
261.03180	2.0
264.98889	3.7
274.97745	14.8
275.97916	4.8
276.97629	8.6
277.01007	19.2
283.00009	100.0
284.00140	7.7
284.99753	7.2
298.97781	16.2
299.97836	6.3
300.97623	15.0
301.01007	88.3
301.03717	1.3
301.04727	2.2
302.01175	6.8
303.01071	5.0
316.95816	2.2
316.98901	18.4
317.98944	6.5
318.98645	16.2
319.02072	3.4
356.93973	1.9
359.00354	2.2
376.97751	1.8
383.00272	2.0
398.94788	4.5
401.01563	10.4
407.00113	4.9
416.98993	2.7
418.98682	5.6
425.01260	35.5
426.01230	2.8
427.01260	2.3
440.98602	6.1
441.99039	2.4
443.02863	51.7
444.02289	5.5
445.02039	4.4
458.99808	2.8
460.00110	3.9
460.99893	13.3
500.97894	4.6
524.99884	2.5
542.99268	3.8
548.93323	2.8
549.01324	37.5
550.01306	2.4
567.02484	49.1
568.01556	3.3
585.00006	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.9
55.05266	0.8
55.05513	8.6
57.07056	0.8
60.38763	0.5
65.03934	0.5
67.05507	2.3
69.03443	2.2
69.07077	6.7
69.24718	0.4
70.06599	1.2
71.04992	0.7
72.08163	0.6
79.05502	2.4
81.03429	6.2
81.07051	2.8
82.06586	1.8
83.04980	1.8
83.08614	6.1
84.08147	0.7
85.02909	2.1
85.06544	1.0
86.09689	0.8
87.00830	1.0
91.05485	7.4
93.07043	2.6
95.04991	1.0
95.08621	3.2
97.02900	4.8
98.09683	0.8
99.04455	1.5
100.07642	2.4
100.11263	27.8
101.11582	2.6
103.03980	0.5
103.05467	1.1
105.07033	11.4
105.07696	0.8
107.04993	0.6
107.08598	4.2
109.02888	10.3
109.06522	0.9
109.10150	1.1
110.06036	1.1
111.04443	4.6
112.07584	1.5
112.08286	0.4
113.06034	0.6
115.03935	1.1
117.07005	2.0
117.13941	0.5
118.07810	0.6
119.08587	59.0
121.06477	0.5
121.10129	2.8
123.04428	0.6
123.08073	0.8
125.09610	1.1
126.09151	0.8
127.03917	2.9
128.07076	2.3
130.07794	0.4
131.08582	3.5
133.10138	62.2
134.10973	4.9
135.08075	1.5
135.11652	0.6
137.05986	1.2
137.09645	0.7
139.08649	0.8
140.07086	1.0
143.08578	1.4
144.09389	0.7
145.04984	0.6
145.10118	6.7
146.10884	0.5
147.11694	20.8
149.05981	0.5
149.09624	0.6
157.10141	1.0
158.10901	0.7
159.11705	1.8
160.12473	2.8
161.09608	0.8
161.13316	0.6
163.07587	1.3
164.14404	0.6
167.06995	1.2
169.10068	0.6
171.11703	1.1
173.13292	9.6
174.14046	0.6
175.14833	100.0
176.15181	1.2
182.15408	10.1
183.11636	0.4
183.15753	1.9
185.09641	0.5
185.13283	0.7
187.14804	0.8
191.07124	0.5
191.14330	1.1
193.10094	0.4
197.13185	0.6
199.11227	0.6
199.17966	0.4
201.03966	0.5
209.16490	5.6
210.14940	10.7
210.16916	1.3
211.15294	2.6
213.03934	1.4
213.12811	0.7
223.14989	0.4
226.19078	2.3
227.10695	0.7
227.14273	0.6
227.17578	1.2
228.15930	1.4
231.04897	0.8
255.17442	1.8
257.15344	0.6
265.15826	0.9
273.06250	0.6
273.18427	1.0
283.16953	4.3
301.17947	2.2
301.21295	0.7
319.13425	0.7
326.27951	1.1
336.22925	1.1
343.30676	2.0
357.07608	0.4
387.17996	2.1
388.93381	0.4
389.81177	1.2
390.31174	2.3
398.32126	0.6
405.18954	1.5
433.87341	0.4
452.36002	0.6
453.34680	1.6
453.84604	1.3
454.34891	0.5
493.28036	0.5
494.39038	0.5
502.89584	1.3
503.39941	3.7
503.89462	1.7
549.29810	0.5
557.42047	1.2
557.92419	4.5
558.42261	0.9
566.42377	1.0
566.83917	0.6
566.92761	8.3
567.21350	0.5
567.35162	0.6
567.42670	2.0
569.47369	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4045
Annotation	28380-31-6
Peak:m/z	Relative Intensity
51.02360	1.1
53.03939	3.7
55.05516	6.4
57.07076	5.0
59.05005	2.2
65.03943	3.2
66.88032	1.0
67.05505	13.7
69.03442	2.9
69.07069	10.0
70.95453	2.9
77.25365	1.0
78.40728	1.0
78.78143	1.0
79.05500	13.4
80.61493	1.0
81.07052	19.0
83.04993	4.6
83.08638	4.9
84.43254	0.9
85.06552	3.2
86.70129	1.0
91.05482	16.9
93.07052	30.0
95.04964	6.9
95.08619	16.3
97.06543	3.3
103.05457	2.5
105.04504	1.6
105.06331	2.3
105.07037	41.5
107.08600	21.3
109.06511	3.8
109.10163	16.1
109.46207	1.1
111.08091	1.2
115.05480	3.4
115.10744	1.0
117.07033	9.1
119.08592	47.2
121.06541	2.5
121.10150	33.1
122.62094	1.1
123.08082	7.2
123.11704	5.0
125.09644	2.4
128.06245	5.3
129.07004	8.1
130.07809	4.3
131.08595	19.2
133.10136	28.0
135.08084	3.6
135.11693	11.5
137.09642	3.7
141.07019	4.4
142.07773	12.5
143.08572	22.3
144.09358	3.0
145.10132	30.5
147.08086	4.4
147.11700	11.7
149.09596	5.1
149.13287	2.3
151.07559	3.1
151.11356	1.1
153.07022	2.9
154.07755	2.2
155.08563	10.0
156.09341	11.0
157.10144	33.0
158.10954	4.6
159.08084	2.5
159.11714	18.3
161.09647	2.6
161.13283	4.1
163.11224	4.5
165.07025	4.8
165.09142	8.0
166.07864	1.5
167.08595	6.0
167.10695	14.1
168.09387	4.7
169.10143	16.9
170.10930	6.9
171.11699	20.3
172.12532	1.5
173.09711	1.8
173.13280	16.9
175.11247	1.5
175.14813	5.2
179.08533	7.6
180.09363	2.9
181.10188	9.0
181.12251	3.3
182.10927	7.3
183.11722	16.5
184.12511	2.4
185.09709	1.4
185.13298	12.8
187.14810	8.3
189.12714	2.5
191.08583	1.6
191.14339	2.3
192.09393	4.6
193.10178	9.6
193.11749	1.7
193.25441	1.1
194.10901	6.5
195.08057	1.2
195.11739	14.5
196.12469	2.7
197.13295	14.5
199.11183	1.6
199.14810	8.1
201.12744	2.0
201.16379	4.7
203.14374	4.9
205.10181	4.1
205.15894	1.6
206.10960	4.7
207.11739	12.7
207.13718	2.3
208.12572	6.1
209.13284	18.0
210.14090	3.2
211.14806	7.7
213.16289	5.6
215.14343	3.4
217.10139	3.1
217.16061	1.6
218.10953	2.4
219.11752	5.2
220.12428	5.4
221.13290	12.2
221.15454	17.2
222.14066	2.9
223.14848	9.7
224.15689	2.0
225.12717	1.5
225.16428	5.0
227.14331	1.4
229.10234	2.0
229.15948	2.0
230.10977	2.0
231.11749	4.3
232.12494	2.7
233.13304	7.6
233.15456	4.5
234.14104	3.0
235.14806	7.0
236.15601	1.5
237.16321	6.7
239.17989	4.9
241.19707	1.1
243.11768	3.2
244.12537	3.5
245.13295	5.3
246.14105	3.5
247.14894	6.6
247.17139	1.9
248.15601	3.0
249.16409	6.8
250.17204	1.4
251.17894	6.5
253.19600	3.0
255.11647	1.4
257.13275	2.8
259.14862	4.7
260.15787	1.7
261.16443	4.3
262.17111	1.4
263.14548	1.1
263.18036	6.2
265.19550	6.5
269.19122	2.1
270.13904	1.1
271.14758	2.7
272.15707	1.3
273.16400	4.1
273.92822	1.3
274.17206	1.7
275.17987	4.2
277.19537	5.6
279.21088	2.3
281.19104	1.9
283.15070	1.1
283.20679	3.9
285.16202	1.9
287.18021	3.5
289.19604	4.6
295.20474	2.0
297.16513	1.5
299.17862	2.0
301.19446	2.2
303.20966	2.3
307.20590	1.8
313.19312	1.3
315.21085	2.9
317.22684	1.9
319.24020	1.7
326.20316	1.7
327.21039	1.5
329.22641	2.6
331.24246	4.1
335.23901	2.4
341.23022	1.6
343.24292	3.2
347.23782	4.5
355.24380	1.3
357.25885	4.9
365.24918	3.9
373.25418	1.2
387.27069	1.7
399.26883	1.6
444.29883	1.1
473.34363	6.2
480.57242	1.3
491.33240	1.8
509.34308	3.4
529.38544	1.4
547.39465	17.4
565.40460	100.0
566.41052	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	565.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.1
55.05515	7.6
57.07067	5.3
67.05515	15.9
67.16055	1.6
69.03439	4.0
69.07069	11.4
70.93743	2.7
70.94100	1.6
79.05497	15.2
81.07060	20.6
83.04990	4.1
83.08640	4.0
91.05479	25.6
93.07055	30.9
95.04987	7.0
95.08616	23.4
97.06557	1.9
103.05510	2.8
105.07034	43.9
107.08599	25.9
109.06543	4.0
109.10174	16.8
115.05476	4.0
117.07023	10.0
119.08588	51.2
121.06556	2.1
121.10153	40.2
123.08087	5.8
123.11728	6.0
128.06256	7.4
129.06985	8.5
130.07809	4.1
131.08588	18.0
133.10147	30.6
133.11101	2.3
135.08073	6.4
135.11691	11.1
137.09636	5.2
139.11197	1.9
141.07034	6.1
142.07806	13.2
143.08580	25.2
144.09363	4.4
145.10129	31.1
147.08073	5.7
147.11697	13.1
149.09654	5.7
149.13342	2.6
151.07555	4.1
153.07010	3.7
154.07782	3.0
155.08549	10.9
156.09340	9.9
157.10130	29.1
158.10944	2.9
159.08115	2.8
159.11710	16.4
161.09688	1.8
161.13281	2.5
162.49243	1.8
163.11218	4.4
165.06975	5.8
165.09119	12.9
166.07803	1.9
167.08589	7.0
167.10704	7.8
168.09412	6.1
169.10124	20.7
170.10770	3.5
171.11687	19.2
173.09662	2.2
173.13264	16.0
175.14911	4.8
179.08609	7.6
180.09346	5.6
181.10187	8.9
181.12212	5.0
182.11009	3.9
183.11740	15.9
185.13246	12.4
187.14934	4.4
189.12709	2.7
192.09409	6.1
193.10197	9.2
194.10968	6.1
195.11758	13.5
196.12521	2.4
197.13275	10.4
199.14885	7.5
201.16489	2.3
203.08513	1.8
203.14401	5.4
206.10976	5.9
207.11765	13.7
207.31903	1.6
208.12593	2.9
209.13298	16.7
211.14900	6.9
212.15561	2.1
213.16368	3.0
215.14476	2.5
217.10205	2.4
218.10831	2.8
219.11797	6.2
220.12560	4.9
221.13295	11.2
221.15453	26.5
222.14133	2.3
223.14787	9.8
225.16342	4.1
230.10994	2.7
231.11795	4.7
232.12521	4.4
233.13319	5.8
235.14885	6.0
237.16435	7.5
239.18051	4.0
243.11722	2.0
244.12512	3.0
245.13336	5.5
246.14099	4.0
247.14922	5.9
249.16463	5.9
251.18069	3.5
253.19632	3.4
257.13254	3.1
259.14917	4.3
260.15536	2.3
261.16473	5.6
263.14993	1.6
263.17996	7.1
265.19626	7.2
269.13190	1.8
270.14133	2.0
271.14719	2.5
273.16483	4.0
275.17877	3.7
277.16360	1.9
277.19647	4.5
279.21066	2.6
282.28052	4.0
283.20657	2.5
286.17029	1.8
287.17886	2.7
289.19510	4.8
291.21146	2.2
293.19345	2.0
301.19360	3.1
306.66507	2.0
309.32593	2.7
310.31116	3.7
311.17929	2.5
315.21014	1.9
327.21286	3.4
329.22729	3.1
331.24243	6.5
343.24139	2.7
357.26035	4.2
385.28845	3.9
473.34085	13.6
489.18527	1.8
491.33151	3.0
509.34097	2.4
547.39514	8.4
565.25745	2.7
565.40485	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	565.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02414	1.8
53.03942	5.6
54.10786	1.7
55.01869	2.0
55.05516	12.4
57.07066	7.4
61.77189	1.9
67.05502	24.0
69.03411	9.8
69.07068	17.7
70.66543	5.3
71.04976	3.0
73.02908	4.5
73.38792	1.7
79.05494	22.0
81.03426	2.8
81.07056	31.7
83.04964	6.3
83.08627	11.1
85.06529	6.2
91.05484	31.2
93.07044	41.0
95.04964	8.0
95.08612	32.6
97.06528	3.4
97.10173	4.5
103.05463	2.7
105.07033	55.2
107.08578	31.5
109.02888	6.9
109.06513	4.9
109.10159	20.0
111.04440	4.1
115.05465	2.4
117.07025	11.6
119.08587	58.6
121.06547	5.8
121.10144	43.2
123.08071	9.5
123.11713	8.5
125.09570	2.2
128.06236	7.5
128.07146	1.9
129.07010	12.1
130.07780	5.7
131.08586	22.6
133.10130	37.9
135.08075	5.5
135.11697	13.3
137.09644	7.3
141.06995	4.3
142.07773	19.5
143.08557	27.7
144.09377	2.8
145.10132	41.3
147.08023	10.7
147.11679	15.5
149.09631	7.9
149.13280	3.3
151.07558	4.3
153.07065	4.0
154.07745	2.8
155.08548	10.6
156.09358	11.5
157.10135	30.7
158.10884	6.2
159.08101	2.9
159.11699	23.6
161.13280	7.6
163.11258	4.3
165.07030	7.2
165.09071	10.4
167.08546	5.7
167.10661	19.4
169.10136	21.4
170.10896	6.4
171.11717	22.0
173.09692	4.4
173.13274	15.4
175.11240	3.1
175.14790	6.5
179.08533	9.5
180.09343	5.9
181.10143	10.6
181.12434	2.2
182.10977	7.0
183.11707	13.6
185.13272	14.1
187.14873	9.2
189.12770	3.4
191.14197	3.7
192.09457	4.6
193.10097	13.3
194.10962	8.4
195.11636	16.1
196.12497	6.8
197.13234	11.6
199.14801	16.0
201.16408	3.5
203.14287	4.9
205.10152	3.8
206.10918	5.8
207.11720	18.3
207.13651	3.5
208.12469	5.7
209.13260	18.6
210.14011	3.8
211.14844	12.1
213.16379	3.5
215.14175	4.2
217.10179	2.7
218.10980	3.4
219.11731	7.8
220.12532	4.0
221.13266	13.0
221.15425	19.5
222.14156	3.0
223.14832	11.7
225.16469	6.2
229.10046	2.5
231.11707	4.0
232.12497	3.1
233.13261	9.7
233.15428	6.3
234.14049	2.7
235.14838	8.5
237.16422	7.8
239.18053	4.2
244.12578	4.0
245.13332	6.6
246.14038	5.6
247.14818	7.8
247.24237	2.4
248.15636	3.9
249.16499	6.2
251.18089	5.6
253.19568	4.8
255.17479	2.1
257.13199	4.7
258.14133	3.4
259.14865	6.6
260.15649	2.5
261.16498	5.8
262.17200	2.6
263.18002	5.5
265.19662	3.9
265.25211	2.4
271.14661	2.9
273.16440	4.1
274.17236	2.7
274.43292	2.0
275.18036	6.4
277.19501	6.3
279.21106	2.9
281.19168	2.5
283.14954	3.7
285.16415	4.4
287.17770	3.4
289.19446	3.5
291.21167	3.8
297.16348	2.9
306.07370	2.3
307.05957	2.5
315.21121	2.3
331.24167	5.8
339.29150	3.0
357.25900	4.1
379.07962	2.1
399.27246	3.1
409.09039	2.1
473.34348	9.5
509.33951	4.8
547.39276	10.7
565.40387	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	565.1553
Annotation	Isoschaftoside
Peak:m/z	Relative Intensity
55.01879	5.4
55.10852	3.6
70.41709	8.2
70.42099	7.8
88.72323	3.0
108.08955	4.3
109.02847	4.0
114.63161	3.5
117.47693	3.1
119.04937	12.7
121.02879	44.3
134.16341	3.7
145.02814	5.3
145.10570	3.8
147.04399	3.7
177.01830	8.5
179.03343	5.0
187.03836	5.0
189.01866	10.5
191.03421	7.4
195.02939	5.5
201.01651	5.1
203.03380	21.8
207.02922	8.3
215.03427	4.7
217.04997	10.2
219.02884	7.9
227.03343	4.5
229.04935	4.0
231.02919	3.7
241.04924	6.9
266.24506	3.7
268.07272	5.0
269.23199	3.7
279.06592	4.6
283.06033	6.0
294.05280	21.5
295.06030	92.6
296.06714	6.8
297.07492	8.7
307.05994	67.7
307.09177	6.4
308.06796	17.0
309.07440	18.4
313.06952	6.9
317.08057	5.9
319.05881	4.5
320.06802	8.2
321.07593	43.6
322.08414	8.2
323.09085	6.0
325.03497	6.9
325.07080	89.3
329.08340	5.0
333.07639	26.7
334.08353	5.8
335.05728	3.8
335.09167	21.3
337.07031	57.8
345.07309	6.4
347.09195	11.7
349.07083	56.6
351.08737	24.7
355.08136	14.1
361.07080	25.3
363.08621	15.0
365.10196	8.4
367.08167	12.5
373.07080	8.6
375.08691	16.1
379.08163	100.0
387.08640	7.3
391.08197	39.7
397.09219	85.1
403.08063	21.1
405.09552	7.4
409.09262	79.3
415.10324	35.5
417.09586	6.3
421.09109	27.3
427.10324	67.3
433.09167	21.1
439.10355	26.4
442.74841	3.8
445.11270	41.9
451.10245	55.1
457.11319	58.9
463.10144	6.2
469.11368	76.3
475.10648	18.0
481.11374	54.6
493.11349	52.1
499.12357	45.2
511.12411	81.6
529.13489	77.5
547.14539	40.1
565.15546	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	565.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.9
57.03434	3.5
61.02920	4.7
69.03416	2.4
70.06594	5.1
70.64517	6.9
72.08137	2.7
85.02905	12.7
91.05497	4.0
97.02937	2.9
103.05456	2.4
104.77154	2.2
105.97171	2.3
107.04993	4.2
108.06051	2.3
109.02898	4.4
116.00850	2.4
119.04959	13.1
121.01990	5.0
121.02869	59.6
121.06496	4.3
131.04895	3.2
135.04417	4.2
145.02875	8.4
147.04416	3.3
151.03911	2.9
161.02336	4.1
163.03976	3.7
173.02435	2.7
173.05966	2.7
173.15240	2.2
175.03831	3.3
176.01042	3.5
177.01860	10.4
179.03426	2.3
187.03937	10.9
189.01888	16.6
189.05624	2.3
191.03421	9.6
195.02928	7.7
199.03857	4.5
201.05449	3.8
203.03383	26.1
205.05046	3.6
207.02881	10.4
211.03943	2.9
213.05408	3.7
215.03392	10.1
217.04947	9.6
219.02989	4.8
221.04427	2.4
227.03362	2.8
229.04930	4.8
230.75035	2.4
231.02945	3.6
233.04518	4.6
235.05830	2.6
241.05020	6.7
243.02834	5.5
245.04240	4.5
253.05145	3.4
255.02980	4.9
255.06506	2.8
267.06668	4.5
268.07355	6.5
269.04398	3.1
279.06607	6.6
280.07385	2.9
281.04913	3.9
281.08194	7.3
283.05975	14.2
292.07376	3.2
293.08173	7.0
294.05188	25.4
295.06009	100.0
296.06717	8.0
297.07510	13.3
305.08014	3.1
307.05988	74.9
307.09500	3.6
308.06744	20.7
309.07513	24.9
311.05609	3.0
313.06885	5.4
317.08197	4.0
319.05975	10.2
320.06808	7.1
321.07596	53.8
322.08267	16.0
323.05536	4.4
323.09116	9.0
325.07056	86.6
329.08118	5.5
331.06024	3.0
333.07550	31.3
334.08444	4.7
335.05637	4.1
335.09177	25.6
336.06284	4.9
337.07086	68.1
337.11142	4.7
339.08469	6.6
345.07620	12.6
347.09299	13.1
349.07083	64.5
349.10806	3.0
351.08582	30.2
355.08237	8.5
359.09094	4.9
361.07059	28.4
361.10861	4.0
363.08588	28.6
365.10205	6.7
367.07928	12.8
371.14398	2.3
373.06781	16.0
373.10928	2.7
375.08597	16.7
377.10370	4.4
379.08127	96.6
387.08487	9.7
389.10327	3.6
391.08112	52.3
397.09192	49.3
401.10245	4.3
403.08127	20.3
405.09650	6.2
409.09189	89.8
415.09750	12.9
417.09384	3.5
419.11316	3.7
421.09003	15.1
427.10294	94.6
433.09271	17.0
439.09985	13.2
445.10629	24.5
451.10306	27.1
457.11148	29.5
463.10391	12.8
469.11255	25.1
475.10416	19.9
481.11264	42.9
493.11249	30.3
499.12259	28.3
511.12433	67.3
529.13507	39.4
547.14508	10.9
565.15503	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	565.1195
Annotation	Isorhamnetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03952	2.2
55.01873	2.1
56.92798	0.3
57.03432	0.7
60.76950	0.3
61.02915	1.0
65.03949	0.3
66.92498	0.3
68.99804	0.7
69.03091	0.4
69.03435	6.5
69.39244	0.9
69.39665	1.4
70.06581	1.3
71.04979	0.8
73.02905	1.6
75.01699	0.3
79.05479	0.4
81.02933	0.4
81.03424	7.7
84.08143	0.6
85.02912	11.4
86.09698	0.4
87.00841	5.6
91.05476	0.5
92.02618	0.8
93.03413	1.1
97.02889	4.5
99.04456	2.7
105.01873	2.6
105.07014	0.4
109.02136	0.4
109.02889	6.7
117.01864	1.3
120.08121	0.7
121.02856	1.7
125.09644	0.4
126.03078	0.3
127.03933	8.8
129.01801	0.5
137.02324	0.4
137.05969	0.3
139.03967	0.8
145.04971	2.6
147.02942	0.4
151.03947	0.9
153.00586	0.4
153.01837	7.2
159.02881	3.8
165.01814	0.9
167.07233	0.3
200.04808	0.4
201.05452	0.8
203.03438	0.5
217.04942	0.9
218.05762	0.6
219.02802	0.4
228.04182	1.5
229.04958	3.0
231.02965	0.7
231.05070	1.1
245.04454	0.9
246.05231	1.9
257.04538	2.4
271.06091	0.4
273.03964	1.2
274.04739	4.4
284.03226	0.5
285.03934	4.1
295.06097	0.7
299.14005	0.6
302.04230	12.2
306.98035	0.3
307.05988	0.5
317.06583	100.0
318.06937	1.5
325.07156	0.5
333.07587	0.5
337.06848	0.5
359.07703	0.5
379.08209	0.7
409.08878	0.4
427.10342	0.6
451.09824	0.5
481.11166	0.4
511.12518	0.4
565.27899	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	22.0
57.03442	10.2
67.05497	45.3
69.07071	34.4
70.06590	17.8
70.47822	21.6
70.48214	20.9
73.23684	8.8
78.27652	9.4
79.05502	50.8
81.03419	19.2
81.07050	100.0
83.04996	14.4
83.08621	15.3
84.08148	9.2
85.02898	26.3
91.05470	42.5
91.06032	9.5
92.83505	9.9
93.07037	43.4
95.05015	12.5
95.08604	35.2
96.14458	9.8
97.06505	13.9
97.10180	17.8
105.07037	32.1
107.04951	13.0
107.08598	49.8
109.02866	17.3
109.10131	13.7
117.07019	16.9
119.08585	24.9
121.06526	10.0
121.10112	17.1
125.09627	18.9
127.03908	18.7
131.08594	22.6
133.10132	23.4
143.08571	11.4
145.10095	23.4
147.11687	22.0
149.09633	12.2
149.13254	15.3
159.11742	21.9
161.13336	10.1
189.11290	12.5
227.12918	15.0
257.18942	18.3
269.17480	43.2
275.20230	51.7
349.23834	73.0
367.24847	14.6
528.10419	10.4
534.24243	10.6
587.21692	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	563.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22232	1.2
53.03949	2.3
55.01871	2.2
55.05513	12.0
57.03439	7.2
57.07062	3.5
67.05506	52.3
69.07067	18.5
71.04990	4.9
79.05496	37.3
81.07061	100.0
83.04968	4.2
83.08627	8.5
85.06523	5.0
89.04424	1.4
91.05486	31.7
93.07051	38.4
95.04994	3.9
95.08610	42.4
97.06522	5.1
97.10151	3.7
97.56800	1.5
99.08126	3.5
105.07035	35.9
107.08595	27.6
109.06512	4.4
109.10163	17.6
113.05988	1.6
117.07023	5.8
119.08591	27.8
121.10144	30.3
123.08055	2.4
123.11716	24.6
127.07565	3.4
129.07005	2.4
131.08615	8.5
131.09418	1.4
133.10155	9.4
135.11690	12.1
137.09616	1.9
137.13237	4.0
145.10133	6.7
147.11691	56.5
149.09570	2.8
149.13254	5.5
151.11292	1.9
156.20854	1.8
157.10181	3.1
159.11705	5.4
161.13290	6.1
163.14818	3.1
165.12782	27.5
173.13235	4.0
175.11176	3.3
175.14851	2.9
177.16437	1.9
183.13774	5.0
184.73192	1.4
187.14912	2.6
193.12306	2.8
198.05766	1.3
199.69096	1.4
214.91110	1.7
229.14331	4.7
243.21140	6.8
261.22156	35.2
267.15939	53.9
279.23203	3.3
285.16986	34.8
317.24707	7.3
335.25800	37.5
353.26950	3.4
377.60208	1.6
411.60828	1.9
453.33630	3.9
471.35019	2.7
514.62665	1.4
527.37183	7.0
545.38379	25.6
563.39117	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	563.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.4
54.99151	1.2
55.01865	2.4
55.05511	11.4
57.03434	6.5
57.07080	2.9
65.03941	3.8
67.05507	56.6
69.03422	1.6
69.07076	17.2
70.50940	3.2
70.51338	2.7
71.05003	3.6
79.05495	34.5
81.07059	100.0
83.04973	4.9
83.08615	6.4
85.06538	4.1
91.05481	27.9
92.38734	1.4
93.07047	33.8
95.04984	4.6
95.08610	38.5
95.09180	2.6
97.06550	2.8
97.10174	1.9
99.08112	2.5
105.07033	31.9
107.08596	24.2
109.06529	4.2
109.10172	15.4
113.67490	1.4
117.07015	4.1
117.66160	1.4
119.08595	25.3
121.10166	26.3
121.14632	1.5
123.08079	3.2
123.11710	26.1
127.07622	2.4
129.07002	1.9
131.08585	9.7
133.10141	10.4
133.39006	1.5
135.11678	11.5
137.13272	3.1
145.10133	7.6
147.10500	3.1
147.11682	53.5
147.12811	3.1
149.09570	1.3
149.13260	7.5
149.82323	1.5
157.10188	3.4
159.11732	6.2
161.13274	5.2
163.14864	3.1
165.12746	23.4
173.13306	5.0
175.14832	2.5
183.13832	3.1
187.14766	3.2
193.12250	2.1
229.14365	4.4
243.21106	7.7
244.65739	1.3
261.22180	31.5
267.15930	33.0
279.23239	6.4
285.16974	37.2
317.24683	8.4
335.25760	34.1
353.26889	2.8
453.33728	2.4
471.34552	3.6
527.37323	5.1
545.38446	16.2
563.39166	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	563.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.9
55.01860	1.9
55.05274	1.3
55.05514	14.4
57.03434	7.5
57.07074	2.7
65.03945	2.3
67.05509	57.9
69.07074	19.2
69.98132	6.1
71.04967	4.0
79.05500	36.0
81.07062	100.0
83.04974	5.2
83.08627	7.9
85.06521	2.8
91.05486	26.9
93.07050	41.5
95.04991	3.1
95.08613	43.7
97.06516	4.7
97.10192	2.2
98.20822	1.6
99.04458	1.3
99.08099	3.4
105.07034	31.4
107.08603	23.1
109.06516	4.3
109.10164	15.2
117.07008	4.8
119.08590	24.2
121.10144	29.2
123.08070	2.9
123.11717	21.3
131.08606	10.9
133.10143	8.5
135.11681	12.8
137.09633	1.9
137.13240	4.6
145.10153	8.2
147.11693	45.2
149.13283	7.4
157.10135	1.5
159.11676	7.1
160.56801	1.2
161.13252	5.5
163.14795	5.6
165.12761	21.1
173.13249	6.0
175.11154	2.0
175.14870	2.6
177.16356	1.9
183.13776	3.2
187.14870	3.1
188.33456	1.1
193.12233	1.6
229.14343	4.1
243.21115	6.9
261.22165	31.7
267.12997	1.9
267.15933	32.1
271.56317	1.1
279.23181	4.7
284.15628	1.2
285.16968	34.6
317.24866	7.7
335.25806	43.7
353.27042	2.0
447.17914	1.3
453.33795	3.4
471.34598	2.6
527.37207	4.0
545.38409	15.5
563.38544	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	563.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.7
53.87167	1.5
55.05515	16.7
57.03446	8.7
65.03939	1.9
66.92888	1.7
67.05507	68.1
69.06797	1.5
69.07073	17.5
69.11392	1.6
70.15912	1.7
70.54005	4.0
71.05006	2.4
72.76598	1.7
79.05495	38.9
81.07059	100.0
83.04971	4.8
83.08614	7.6
85.06537	6.1
91.05486	31.5
92.50644	1.7
93.06490	2.6
93.07048	34.6
95.04966	4.6
95.08611	51.7
97.06512	5.2
99.08068	3.3
105.07030	34.0
107.08601	27.5
109.06506	5.0
109.10168	19.0
117.07017	5.7
119.08579	31.3
121.10138	30.9
123.08048	4.3
123.11703	27.3
127.07534	2.8
131.08566	11.8
133.10153	9.6
135.11717	13.7
137.13263	4.3
145.10094	7.9
147.11700	55.4
149.09637	1.8
149.13268	8.0
156.37149	1.7
157.10103	2.7
159.11671	5.8
161.13268	3.6
163.14848	2.7
165.12772	26.4
173.13293	4.7
175.11171	2.6
175.14845	2.2
183.13803	2.7
187.14751	2.0
193.12210	2.9
193.15283	1.8
228.68379	1.7
229.14304	6.3
233.22606	1.9
243.21028	7.0
261.22168	34.8
267.15924	40.7
279.23224	4.6
285.16980	40.1
317.24673	10.5
335.25836	37.9
353.27063	3.8
471.34717	4.0
527.37158	5.7
545.38324	18.5
563.39178	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	563.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.6
55.05516	17.2
55.64590	1.9
57.03432	7.4
57.07062	2.3
65.03911	3.0
67.05509	56.7
69.07073	15.8
69.79919	9.5
71.04997	4.1
79.05072	3.3
79.05497	44.2
81.07060	100.0
83.04974	4.9
83.08622	7.6
85.06557	5.3
91.05479	30.4
92.06568	1.8
93.06493	2.8
93.07048	44.5
95.04938	2.4
95.08608	46.4
97.06529	6.5
98.20836	2.6
99.08082	3.4
104.92616	1.8
105.07027	34.6
105.08124	2.4
107.08595	29.6
109.06527	5.4
109.10154	19.5
117.07014	6.2
118.43733	2.0
119.08585	30.7
121.10137	31.8
123.08111	4.3
123.11725	30.3
125.36997	2.1
131.08580	9.8
133.10149	8.1
135.11690	12.7
137.13284	4.9
142.07726	2.0
145.10126	10.1
147.11690	51.9
149.13293	7.3
159.11670	4.6
161.13264	6.9
163.14836	4.9
165.12761	23.7
173.13278	4.3
175.11191	2.8
175.14822	2.0
183.13869	4.2
187.14911	3.4
229.14304	8.5
233.22505	3.2
243.21109	9.2
261.22150	35.3
267.15921	45.6
279.23184	6.5
285.16956	41.7
317.24792	9.6
317.93015	2.5
335.25815	53.9
353.26791	2.6
421.86288	2.2
453.33719	2.9
527.37189	6.1
545.38342	19.3
563.39294	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	563.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.7
55.01871	4.1
55.05489	1.7
56.05026	1.3
65.03942	2.1
68.99797	6.2
69.03430	1.8
69.78559	3.0
69.78910	7.5
70.06595	3.6
71.05000	1.9
72.08132	1.8
76.71130	1.4
81.03417	2.3
83.04975	1.7
84.08152	2.2
85.02899	5.4
86.09721	2.3
91.05485	5.7
95.04942	2.9
103.05502	1.5
105.03363	2.0
107.04961	100.0
109.02863	1.6
111.00797	2.5
111.04427	3.3
115.05457	1.6
119.04949	45.1
121.02881	9.1
123.04433	49.5
127.03938	4.4
131.05019	1.4
133.06462	5.5
135.04390	3.9
137.02357	8.4
139.03914	34.8
141.06891	1.5
145.06471	10.9
147.04416	57.3
149.02293	8.4
149.05965	1.4
151.03915	17.9
157.06500	5.3
161.06050	6.8
163.03931	11.9
165.01900	2.8
165.05478	9.6
167.03421	15.0
169.06482	1.7
171.04378	10.9
171.07991	2.1
175.03893	5.3
177.05507	3.0
179.03381	20.1
183.07983	1.8
185.06018	5.5
187.07578	2.7
189.05504	12.0
191.03401	20.4
193.04984	5.9
197.05965	3.2
199.07520	2.1
201.05475	5.7
203.03394	11.8
203.06955	1.5
205.05022	2.2
207.06538	3.0
213.05521	5.5
214.97246	1.3
215.03302	2.6
215.06891	2.8
217.04860	2.1
227.07048	4.9
229.04947	6.7
231.06540	36.2
233.04385	8.5
239.07008	2.1
241.05135	2.2
243.06493	12.7
245.04495	15.2
245.08124	4.1
251.05331	1.8
255.06557	14.8
257.04456	19.1
257.07343	2.8
259.06055	2.3
267.06479	11.9
269.04507	3.6
269.08005	2.1
271.05927	1.6
273.07608	25.8
275.05505	22.5
285.07590	28.7
287.05502	37.2
289.69119	1.6
291.08627	13.7
297.07492	2.1
299.05414	8.9
303.08594	2.9
311.05331	1.6
315.04977	31.2
315.08630	2.0
325.07111	1.8
393.09674	21.6
395.07007	1.8
395.11539	2.1
409.09140	15.2
411.10861	5.5
421.08820	2.2
427.10596	2.0
443.09665	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	563.1553
Annotation	Catechin-(4alpha->8)-epiafzelechin
Peak:m/z	Relative Intensity
53.03947	1.4
55.01862	2.4
55.05481	0.9
61.12060	0.7
65.03931	1.5
68.99792	5.2
69.03392	1.0
70.92056	0.7
71.00314	1.6
77.03925	1.3
79.05495	2.1
81.03361	1.1
85.02928	0.9
86.60754	0.9
87.14384	0.8
91.05494	6.4
95.04952	3.1
103.05477	0.8
105.04511	0.9
107.04963	100.0
111.00774	2.3
111.04445	2.4
119.04951	59.8
121.02878	6.8
123.03587	1.7
123.04441	28.2
125.88588	0.8
127.03910	3.9
131.04918	1.1
133.06485	6.9
135.04405	2.4
137.02328	2.0
139.03911	32.3
145.05424	1.0
145.06491	11.6
147.04417	51.7
149.02354	8.5
151.03925	15.7
152.28291	0.8
153.06918	1.2
155.06071	0.9
157.06483	4.3
161.05995	6.1
163.03937	6.4
165.05496	6.3
167.03423	19.0
169.06421	2.0
171.04422	11.0
171.05736	1.6
171.08003	1.2
175.03925	3.9
177.05470	2.7
179.03419	8.7
181.06499	2.7
185.06018	4.2
187.03906	1.9
187.07497	3.7
189.05470	9.9
191.03409	13.4
193.04897	3.6
197.06020	1.6
199.07561	2.6
201.05466	4.0
203.03395	9.1
203.07091	1.2
205.04913	2.1
207.06487	1.7
213.05492	3.8
215.03387	2.1
215.07039	1.5
217.04947	1.4
227.07045	4.4
229.04939	3.4
231.06540	24.3
233.04482	6.7
239.07063	2.4
243.06538	11.9
245.04535	6.2
245.08133	4.0
255.06516	18.7
257.04517	9.4
257.08218	1.3
258.05090	1.2
259.06113	1.0
267.06558	7.1
269.04474	2.5
271.05978	1.1
273.07590	26.1
275.05524	18.9
285.07617	15.8
287.05527	25.0
291.08670	15.4
299.05414	5.4
303.08505	1.9
311.05582	1.3
315.04907	2.9
379.53473	0.8
391.08173	1.0
393.04736	1.6
393.09702	20.1
395.11328	3.2
409.09183	7.2
411.10797	2.2
419.11179	1.0
427.10287	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.1
54.71640	0.4
57.03425	0.6
69.03418	1.5
69.50753	3.0
81.03413	1.3
85.02913	2.4
87.00859	0.7
95.04956	0.5
97.02890	1.0
99.04464	0.7
109.02896	0.7
114.83987	0.5
119.04933	0.8
120.68126	0.4
121.06511	2.4
125.09639	0.5
127.03937	1.4
137.05966	1.3
145.10114	0.8
148.05135	0.5
149.05971	1.3
151.03922	0.5
159.02969	0.5
163.03986	2.2
166.02621	0.6
167.03400	15.0
175.03893	3.4
179.03400	0.5
184.05310	0.4
189.05444	1.4
194.51332	0.4
199.07480	0.6
227.06931	1.2
241.08578	0.7
244.07367	0.7
246.29919	0.5
254.05815	0.7
255.06537	8.0
257.04541	0.7
259.09689	3.2
272.06726	0.9
282.05203	2.0
283.05991	0.8
287.09235	2.2
297.07617	1.9
315.08630	100.0
316.09006	1.4
327.08594	0.9
339.08505	2.6
357.09622	1.0
381.09732	1.7
405.09808	1.1
423.10645	0.8
425.62866	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.5
53.03954	7.9
55.01894	1.3
55.05508	19.9
57.03448	2.7
57.07079	3.4
57.20881	1.3
65.03943	3.8
67.05506	82.1
69.03435	3.8
69.07072	15.3
69.54366	8.5
71.04993	51.2
73.06551	1.7
77.03903	1.3
79.05493	65.5
81.03431	1.7
81.07057	100.0
83.04976	13.0
83.08612	12.2
85.06554	5.3
87.04440	1.4
91.05485	62.7
93.07046	70.8
95.04951	7.1
95.08611	38.8
97.06526	11.6
97.10159	2.5
99.08119	3.1
103.05489	1.5
103.09367	1.4
105.04510	3.3
105.07029	29.7
105.17937	1.4
107.08597	35.6
109.06551	4.2
109.10159	18.2
109.10846	1.7
111.08054	3.1
116.06293	2.0
117.07008	9.8
119.08587	15.8
121.10150	25.1
123.11709	18.7
131.08578	15.7
133.10138	34.3
135.11691	17.1
143.08595	1.5
145.10143	5.6
147.11702	5.3
149.13275	10.8
151.11157	11.6
157.10236	1.3
159.11705	13.0
161.13298	3.9
163.11169	1.7
173.13350	4.8
177.12856	3.9
183.13814	18.3
187.13322	2.8
187.14842	1.5
195.13834	6.2
201.14888	1.9
227.16325	1.7
243.21179	2.2
259.20749	1.5
261.22192	4.7
269.17606	3.1
283.19012	2.4
285.17123	2.5
335.26010	1.9
361.27390	2.0
363.25293	2.4
511.37943	1.8
517.38922	24.4
529.38800	8.6
561.26544	3.0
561.41443	78.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.5
55.01883	2.5
55.05515	26.6
57.03440	3.8
57.07070	3.0
59.04989	1.5
62.62999	1.4
65.03948	5.7
67.05510	85.9
69.03429	2.3
69.06731	1.4
69.07078	16.3
71.00330	2.7
71.04997	49.6
73.33198	1.0
79.05500	60.8
80.40320	1.2
80.67281	1.2
81.07062	100.0
83.04984	12.2
83.08618	10.9
85.06557	8.3
87.04472	1.4
91.04911	1.8
91.05491	58.7
93.07053	67.6
95.04966	5.2
95.08614	40.4
97.06549	9.5
97.10182	1.8
99.08110	2.0
100.08573	1.1
105.04524	2.3
105.07036	32.9
107.08598	36.5
109.06538	3.4
109.10165	15.9
111.08077	2.9
117.07044	12.7
119.08596	16.5
121.10155	21.4
123.08071	2.1
123.11727	20.2
125.09614	3.0
129.07030	2.9
131.08565	17.2
133.09134	1.6
133.10147	28.8
135.08122	1.4
135.11694	15.2
143.08583	1.9
145.10155	8.0
147.11684	7.3
149.13274	15.0
151.11209	13.0
153.12759	2.3
157.10178	1.8
159.11723	13.5
161.13278	6.5
163.14824	1.6
171.11736	2.1
173.13271	5.7
175.14966	1.4
177.12776	3.8
179.14349	1.6
183.13799	15.4
185.13307	2.6
187.13315	2.4
187.14896	2.4
193.89690	1.4
195.13774	6.4
199.14874	1.4
201.16502	1.5
208.81520	1.5
227.16452	3.6
253.17961	1.5
257.17413	1.3
259.20596	2.1
261.22223	4.9
269.17538	2.9
283.19061	2.4
285.17096	5.8
335.25851	1.7
361.27417	2.2
363.25443	2.5
430.41586	1.3
437.34433	3.2
517.38965	25.7
529.38995	26.0
561.23932	7.8
561.41559	70.8
562.42004	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51962	1.2
53.03954	6.5
53.83563	1.4
55.01871	3.0
55.05519	20.6
57.03444	5.2
57.05642	1.3
57.07084	3.9
59.04987	1.5
65.03960	4.5
67.05513	76.7
69.03440	2.6
69.07076	20.7
69.38079	9.8
71.05003	45.5
73.10087	1.3
79.05502	57.8
81.03444	3.8
81.07064	100.0
83.04984	11.6
83.08630	12.4
85.06567	5.8
91.05492	61.2
93.07053	62.3
95.04994	6.2
95.08000	1.9
95.08616	38.3
97.06519	8.8
97.10208	3.5
99.08131	2.3
105.04561	3.6
105.07040	36.7
106.57478	1.3
107.08601	36.7
109.06578	4.2
109.10170	16.9
111.08101	3.8
117.07043	10.4
119.08595	18.9
121.06498	1.7
121.10151	27.3
123.08112	2.3
123.11723	13.4
125.09695	2.9
129.07057	2.6
131.08589	18.1
133.10149	29.6
135.11697	14.3
143.08589	3.5
145.10139	9.7
147.11697	8.1
149.13251	12.2
151.11240	10.5
157.10173	1.8
159.11723	13.4
161.09853	1.4
161.13342	5.6
163.11205	1.5
163.14873	2.0
171.11751	2.9
173.13376	4.4
175.14854	2.9
177.12862	4.9
179.14420	2.5
180.02809	1.4
183.12273	2.1
183.13849	15.7
185.13248	2.1
187.13295	2.7
187.14911	2.7
195.13925	5.6
197.13354	1.8
199.14998	2.3
201.14801	1.5
227.12926	3.3
253.17992	2.6
257.17560	2.1
261.22287	5.2
269.17523	3.4
275.20279	1.6
283.15662	1.7
283.19360	2.0
285.17007	3.4
289.21707	2.5
291.48459	1.6
317.25174	1.5
335.25870	3.0
437.34390	3.8
455.35495	3.2
511.38251	2.5
517.38983	19.0
527.35583	1.5
529.38947	23.0
543.37195	4.4
561.41504	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	561.379
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01175	1.7
53.03944	3.7
55.01880	5.1
55.05322	1.4
55.05522	18.2
57.03443	11.2
57.07075	3.1
63.17514	1.7
65.03942	5.0
67.05511	51.8
69.03433	3.1
69.07077	17.1
70.73849	1.8
70.74174	4.1
71.04996	3.8
73.02928	2.0
75.71690	1.6
79.05502	44.1
81.03414	3.6
81.07067	100.0
83.04989	8.4
83.08623	10.1
85.02875	2.1
85.06539	7.8
91.05488	51.5
93.06490	3.0
93.07056	43.0
95.04983	4.8
95.08619	30.9
97.06549	7.8
97.10200	2.0
99.04452	2.5
99.08128	4.6
102.62057	2.1
103.05522	2.2
105.07043	75.5
107.05047	1.8
107.08620	30.2
109.02862	3.0
109.06511	6.1
109.10159	11.6
109.58650	2.0
111.04449	4.1
111.08067	3.5
117.07046	10.0
119.08595	62.1
121.09338	2.5
121.10165	32.6
123.08041	3.7
123.11742	25.3
127.07554	1.8
129.07019	6.0
131.08588	13.7
132.31876	2.0
133.09232	3.2
133.10147	26.8
133.38225	1.7
135.11694	13.4
143.08580	4.9
145.10129	16.3
147.11705	91.2
149.13261	8.7
157.10132	6.0
159.11769	9.3
160.06792	1.7
161.13275	23.7
163.11250	3.3
163.14764	4.2
165.12770	29.0
171.11668	6.5
173.13266	10.4
175.11211	3.2
175.14822	12.1
180.33995	1.8
183.13803	7.6
185.13264	8.3
187.14865	2.3
193.12363	3.4
199.14804	3.3
201.16341	3.6
213.16315	4.5
229.14319	5.7
231.21138	6.2
241.19580	26.1
259.20605	53.7
261.22250	2.4
267.15955	31.1
277.21640	3.6
283.15411	3.5
285.16989	50.2
315.23154	4.4
333.24280	34.5
335.26044	1.8
351.25345	5.1
469.33368	3.0
484.09531	1.9
525.35797	4.4
543.36993	10.7
561.27966	3.1
561.37836	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	561.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.7
54.21984	1.7
54.69921	1.5
55.01871	2.9
55.05508	13.3
55.80669	1.8
57.03442	10.2
62.98698	1.5
67.05508	49.8
69.03423	2.8
69.07067	19.6
69.86311	5.6
69.86725	3.9
71.05000	3.7
79.05077	3.3
79.05495	44.3
79.43069	1.5
81.03408	2.8
81.07059	100.0
83.04975	6.6
83.08629	14.4
85.06524	6.8
91.05486	57.4
93.07052	43.3
95.04962	5.7
95.08066	2.8
95.08614	34.8
95.76894	1.6
97.06514	6.9
97.10167	3.1
99.08080	4.2
103.05479	2.0
105.04523	2.6
105.07036	77.6
107.04942	2.0
107.08591	28.0
109.06516	5.8
109.10159	10.0
110.36588	1.9
111.08088	2.4
117.07018	11.7
119.08590	69.2
121.09320	3.0
121.10146	36.7
123.08082	4.3
123.11703	27.8
127.07513	3.6
129.07004	9.9
131.08569	20.5
133.10147	28.0
135.08069	2.3
135.11696	12.8
137.13281	3.5
143.08554	7.7
145.10121	15.3
147.07927	1.8
147.11696	90.1
147.52675	1.6
148.08928	1.6
149.09624	3.7
149.13293	9.2
155.08623	2.0
157.10120	12.3
159.11667	14.1
161.09659	1.8
161.13261	30.1
163.14894	2.8
165.12769	31.0
171.11749	9.8
173.13300	9.6
175.11156	4.7
175.14844	13.8
177.12804	3.3
183.13811	5.7
185.13245	7.8
187.14798	3.1
189.12712	1.9
193.12254	4.5
194.36665	1.9
199.14812	6.0
215.17836	2.2
221.55206	1.8
229.14366	6.0
231.21100	6.7
241.19519	33.1
257.18985	2.5
259.20587	59.3
267.15955	29.1
277.21606	5.2
285.16992	56.9
297.22156	2.0
315.23322	4.7
333.24231	40.9
351.25296	6.0
360.49094	1.6
379.12076	1.7
433.31277	2.5
451.32092	3.5
469.32993	3.8
525.35754	4.7
528.70416	1.9
543.37018	14.7
550.71527	1.8
561.24225	2.0
561.37775	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	561.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28034	1.8
50.74781	1.9
53.03936	4.8
55.01870	5.2
55.05509	18.6
56.86885	1.9
57.03430	7.1
67.05507	55.3
69.03460	1.9
69.07066	13.3
71.04991	5.4
71.48875	2.3
79.05499	44.1
81.03411	2.7
81.06589	4.3
81.07056	56.4
83.04990	4.5
83.08618	9.0
90.83025	2.0
91.05490	22.7
93.07051	63.9
95.04956	8.7
95.08612	55.9
97.02922	3.6
97.06535	5.2
97.10166	5.7
99.04485	5.1
101.71394	1.9
105.07028	17.1
107.04948	7.2
107.08592	41.1
109.06509	2.1
109.10175	18.6
117.07023	13.0
117.56058	2.2
119.08601	17.1
121.06481	5.7
121.10153	24.0
123.11705	4.9
125.05993	4.2
129.07025	2.8
131.08582	11.7
133.10168	11.5
135.08118	2.6
135.11697	49.4
137.13229	2.2
143.08653	3.2
145.10121	28.4
147.11679	6.3
149.13283	5.3
151.95526	1.9
152.51645	2.0
153.12816	2.3
159.11729	5.4
161.13246	4.2
163.11194	52.0
163.14888	3.8
173.13293	3.7
174.07800	2.0
181.12228	10.4
191.29703	2.0
209.11726	2.5
227.12793	100.0
228.13284	2.4
243.21027	6.1
261.22165	26.5
283.15436	37.1
317.24762	7.5
335.25797	51.9
360.03156	2.2
429.38538	2.3
543.36749	24.9
543.97638	2.2
557.83240	2.1
561.38910	7.0
571.21222	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	561.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.4
53.03952	10.4
55.01878	12.4
55.05515	27.1
57.03440	4.7
57.07065	3.7
65.03943	5.2
67.05508	100.0
69.03424	2.0
69.07071	23.2
69.23672	15.8
71.04987	5.6
71.08641	1.7
72.85797	1.7
77.03926	1.7
79.05498	79.1
81.03416	5.7
81.07059	90.5
83.04505	1.9
83.04987	27.3
83.08642	11.4
85.02888	3.0
85.06521	3.8
91.05488	50.3
93.07049	93.9
94.26028	1.5
95.04980	14.5
95.08614	70.0
97.06538	12.7
97.10164	6.6
97.41082	1.4
98.20808	3.3
99.04442	5.4
99.08099	3.8
101.02400	1.8
103.05489	1.6
105.04524	2.7
105.07037	32.8
107.04952	18.4
107.08601	50.2
109.06514	7.1
109.10161	30.1
111.04450	42.8
111.08077	15.0
115.05456	1.9
116.07105	2.4
117.07037	20.7
119.08585	29.2
121.06467	4.6
121.10152	52.1
123.08076	3.7
123.11682	7.4
125.06003	3.4
125.09608	2.1
129.07014	6.6
130.07846	2.6
131.04939	3.6
131.08582	26.2
133.10127	17.2
135.08118	1.8
135.10699	3.3
135.11697	37.7
137.09627	2.5
137.13286	2.9
139.11162	1.6
143.08537	3.2
145.06529	4.6
145.10135	33.8
147.08110	2.3
147.11707	10.9
149.09653	6.8
149.13225	9.9
151.11189	2.3
151.14760	2.4
153.12735	20.0
155.08568	5.2
157.10139	2.3
159.11667	7.8
161.13275	7.4
163.11197	39.9
163.14796	3.8
169.29376	1.6
171.11763	2.2
173.09633	12.1
173.13280	8.0
175.14754	3.5
181.12241	31.4
187.14859	4.6
191.10686	31.9
191.14519	2.0
201.16443	2.0
209.11754	13.1
227.12759	26.2
239.14658	1.6
243.21078	4.8
259.20627	2.3
261.22156	20.4
265.14453	10.3
277.21597	2.1
283.15387	43.0
303.67587	2.4
317.24698	6.4
335.25876	5.2
335.58090	1.5
353.84695	1.9
418.27551	1.7
419.33044	1.7
451.32089	5.0
454.40808	1.6
469.33243	5.6
515.37476	4.1
525.35559	5.0
543.36737	14.8
561.37750	63.5
561.48578	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	560.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	25.7
65.03931	8.2
66.61924	6.7
67.05518	42.7
67.35847	6.3
69.07065	19.9
70.06596	7.5
71.48599	9.1
79.05502	61.7
80.82136	5.7
81.07050	34.2
85.02910	9.2
86.09694	6.8
91.05475	23.6
93.07057	97.5
95.04984	6.5
95.08619	32.3
104.50967	5.8
105.01875	7.1
105.07039	23.0
107.08609	45.4
109.10163	14.2
116.92529	6.2
119.08566	17.1
121.10163	40.9
131.08623	8.4
133.10114	16.9
135.11684	44.4
145.10095	9.6
149.13251	19.3
170.18484	6.1
184.07314	14.1
277.21634	100.0
460.23203	7.0
499.37775	6.6
522.98450	6.6
560.36798	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	560.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	7.9
55.05504	22.3
65.02956	5.4
67.05511	45.4
69.07073	18.8
70.06595	9.7
70.31723	15.7
78.16179	7.0
79.05503	68.4
79.44202	7.0
81.07053	35.3
84.08141	7.0
85.02954	8.5
85.15832	6.2
91.05490	33.7
93.07055	95.3
94.07417	7.4
94.47961	6.0
95.04969	7.3
95.08598	22.1
100.44482	5.6
105.06995	15.2
107.08585	41.6
109.10123	14.6
119.08584	17.0
121.10133	41.5
129.06961	5.8
131.60925	7.4
133.10219	13.0
135.11725	39.5
141.90259	7.0
145.10210	8.4
147.11743	11.7
149.13242	18.1
184.07428	10.6
193.66272	7.2
199.06128	8.3
250.03186	6.1
264.50766	6.7
277.21634	100.0
399.59927	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	560.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93820	18.9
55.01873	21.0
63.83186	18.3
65.87836	19.9
67.05512	85.4
68.29292	18.3
69.07066	39.6
77.38137	16.0
79.05489	64.2
81.07071	100.0
83.08605	25.7
83.59209	15.8
91.05490	29.2
93.07043	59.0
95.08600	76.0
105.07014	34.6
107.08611	28.1
109.10159	36.6
112.63162	17.2
119.08595	30.2
121.10141	33.0
123.11713	26.0
131.08507	27.9
135.11726	18.9
147.11714	24.6
149.13269	22.4
261.22177	91.5
325.44086	18.8
353.27048	27.7
383.24207	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	12.0
55.01862	7.3
55.05511	27.3
57.03445	14.4
57.07080	3.7
64.06915	2.3
65.03928	5.6
67.05508	91.5
69.07072	19.0
71.04979	3.1
71.13828	6.4
79.05497	93.4
81.03410	9.1
81.07061	94.4
83.04987	17.1
83.08598	10.2
83.35656	2.6
85.06558	4.0
88.07622	5.0
91.05480	61.1
93.07046	100.0
95.04964	15.5
95.08609	56.7
97.06521	5.6
97.10156	5.7
103.05478	2.8
105.04491	4.0
105.06316	2.8
105.07032	50.7
107.04964	7.1
107.08598	36.7
109.06530	5.0
109.10168	20.7
111.08016	3.1
117.07009	20.3
119.08589	30.5
121.06499	2.8
121.10144	20.5
123.08051	6.7
123.11726	4.7
127.07557	2.7
128.06195	4.0
129.07030	18.0
131.08586	18.2
133.10152	18.2
135.08028	2.9
135.11681	14.5
137.09576	2.9
139.11128	2.6
143.08577	14.2
145.10117	19.5
147.11700	35.1
149.13252	9.2
155.08511	3.8
157.10136	5.1
159.11703	14.4
161.13295	15.7
163.14751	3.0
163.57495	2.6
169.10159	4.5
171.11682	27.6
173.13271	7.3
175.14844	3.1
177.12767	2.8
185.13246	5.1
187.11185	2.9
187.14755	4.3
189.12758	11.1
197.13484	2.7
199.14755	3.0
205.12122	3.5
207.13887	20.8
243.21085	4.0
256.26413	3.7
261.00586	2.4
261.22189	12.7
281.17499	58.1
289.31137	2.9
317.24628	4.9
335.25781	28.6
449.34061	5.0
467.34973	5.9
473.74814	2.9
541.39014	63.5
559.23047	10.6
559.39673	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	559.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15554	1.2
68.63704	1.1
70.06596	2.6
72.08140	2.2
82.46285	1.3
84.04456	1.2
97.40820	1.1
115.05405	1.5
118.06558	19.6
130.06537	2.9
132.08115	4.3
142.06483	1.5
143.07292	3.7
144.08089	11.4
146.06024	55.9
147.06355	2.7
157.12263	3.1
159.09186	7.1
163.03885	2.3
164.07124	1.7
170.06007	4.4
174.58652	1.6
188.07082	100.0
189.07430	3.3
205.09738	38.8
237.02829	1.4
346.53848	1.4
538.61517	1.4
550.04529	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.0
55.01880	3.8
67.05524	2.7
70.06599	28.0
70.88514	3.0
70.88852	5.2
72.08151	16.4
79.05484	3.4
83.04973	3.1
84.04494	6.4
84.08138	10.4
85.02893	8.1
86.09711	14.7
91.05497	21.7
97.02885	2.9
103.05505	12.6
105.03278	2.8
105.07027	10.6
107.04959	19.7
109.02863	2.7
110.07159	6.8
119.04947	15.4
120.08089	3.6
121.06483	8.9
122.03630	4.5
122.07288	2.8
129.07024	5.7
129.10248	4.6
131.04950	18.4
131.08603	3.5
133.02806	6.7
133.06483	10.2
135.08029	7.4
136.07553	8.1
137.05986	86.0
144.08153	4.3
146.07249	4.2
147.04417	12.8
149.05971	9.4
150.06715	2.9
151.07539	42.5
157.06470	4.7
161.05989	82.5
161.09624	15.6
162.06766	8.2
163.03889	5.0
163.07536	46.0
165.05544	3.2
165.09109	3.5
170.73991	2.3
174.06747	4.1
175.07513	11.4
177.09132	3.9
179.06992	3.1
181.08572	9.6
189.09123	59.9
191.06979	3.5
193.10184	3.5
195.08067	6.3
207.10165	100.0
219.10165	9.6
221.09651	3.7
223.07492	4.4
225.08942	3.1
227.10706	11.6
237.09081	2.6
239.06952	2.5
245.09283	3.1
249.08994	3.0
253.08632	5.5
253.12271	5.9
255.07472	2.2
255.10031	11.3
262.12088	2.4
272.10403	2.9
285.11057	8.1
285.13843	3.1
287.12799	34.8
297.11099	4.3
299.12787	5.0
310.11664	2.7
311.12814	12.8
313.14343	33.9
325.14395	3.4
331.15427	70.6
343.15356	6.6
543.15857	2.7
558.30872	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	557.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03745	1.5
53.03951	15.4
55.01864	4.6
55.05512	11.4
57.03430	1.5
57.07064	2.2
61.38340	1.3
65.03938	2.7
67.05507	59.5
69.03423	1.7
69.07068	11.2
69.48720	3.7
69.49133	5.7
71.04977	2.3
79.05493	48.8
81.03421	21.8
81.07057	64.2
83.04970	4.8
83.08597	4.7
85.06525	2.6
89.06013	2.4
91.05479	28.8
93.07049	53.7
93.07643	2.9
95.01302	4.5
95.04959	13.5
95.08607	45.8
97.06509	4.3
97.10188	2.0
99.08051	1.9
103.05474	1.6
105.04485	1.7
105.07030	23.9
107.04295	2.3
107.04955	23.8
107.08592	28.5
109.06521	5.3
109.10163	9.8
111.08076	2.8
115.05450	2.3
117.07010	14.7
119.08587	13.9
121.06514	6.5
121.10139	15.3
123.04408	2.0
123.08073	11.7
123.11699	4.1
129.07024	3.1
131.08565	16.2
133.06503	2.5
133.10133	11.8
135.08040	2.5
135.11688	25.0
141.06984	4.7
143.08565	2.9
145.06497	10.2
145.10129	10.5
147.11711	6.0
149.13271	14.0
154.07712	1.8
157.10136	1.7
159.08037	3.6
159.11697	20.1
161.13249	4.9
163.11163	2.0
163.14867	1.7
169.10138	7.1
173.13293	4.9
177.12738	11.7
185.13235	1.6
187.11180	17.1
195.13811	6.6
201.16235	1.3
205.12219	2.7
223.13245	8.1
241.14342	13.5
243.21127	4.2
248.87856	1.4
259.20636	2.0
261.22144	15.5
268.75925	1.3
279.15912	100.0
297.16937	5.7
317.24619	2.1
437.34698	1.5
447.32593	1.7
459.41699	1.4
465.33490	3.9
483.34845	4.2
529.38727	3.9
539.37439	13.9
551.89960	2.0
557.38385	41.6
557.52820	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	557.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	1.1
59.90661	0.7
68.98293	1.1
69.03416	2.7
70.99828	1.3
71.47138	0.8
71.47479	0.8
81.03439	1.1
81.35655	0.8
82.99812	4.1
85.02916	4.2
97.02878	2.4
98.97564	1.6
101.00887	24.5
109.01419	1.5
109.02887	1.8
113.00868	6.5
115.02444	1.5
116.98556	1.0
117.04001	1.4
119.01929	24.8
127.02422	8.7
127.03925	1.4
129.03967	1.7
131.01913	11.2
133.03491	1.8
135.04356	1.5
137.02939	1.6
139.02400	2.5
141.03966	2.9
142.98505	1.4
143.01906	30.5
144.01993	1.2
145.02490	1.5
145.03502	27.4
147.01402	1.5
149.03000	1.1
153.03981	2.5
155.01895	21.0
157.03470	8.1
159.05031	6.0
161.02965	20.2
163.03818	8.5
167.01926	13.8
169.03471	35.7
169.04918	1.8
171.01381	4.1
171.05013	9.3
173.02979	19.5
175.04544	1.7
179.01917	6.2
181.03448	4.0
183.05038	1.2
185.02969	43.2
187.04543	31.5
189.02499	6.3
191.04050	1.5
193.03400	1.3
195.01297	1.8
195.05017	1.4
197.02950	17.8
197.06525	0.9
199.04500	6.3
203.02083	1.3
203.03984	9.9
209.02968	3.0
211.04556	6.9
213.02423	8.4
213.06133	1.2
215.03998	15.6
219.01712	1.3
221.02928	6.4
221.04967	1.7
223.04558	1.9
225.02460	1.7
227.04013	10.8
229.05608	2.5
231.03502	9.1
238.92554	0.9
239.04062	3.3
243.03520	1.6
245.05086	100.0
246.05295	2.2
249.04463	1.0
257.01434	2.6
257.05084	7.1
261.02509	0.9
263.03769	1.0
263.06192	9.8
269.01596	1.0
271.06732	4.6
273.04623	1.8
275.02505	22.2
275.06100	58.3
281.04968	1.4
287.02490	6.5
287.06140	4.6
291.05798	1.1
293.03558	3.4
293.07175	5.5
297.04269	0.9
299.06165	1.1
305.03574	6.9
305.07169	13.6
315.05585	4.2
317.03546	1.4
317.07114	2.3
319.03146	1.9
333.06516	1.2
335.04572	7.2
335.08221	8.3
341.03668	1.7
359.04425	5.8
365.09351	13.1
377.05466	15.2
395.06717	22.9
437.09387	4.5
467.09821	1.1
539.10620	2.6
557.11658	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	556.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.6
55.05507	6.1
57.03424	1.1
57.07066	1.2
65.12809	1.0
66.93146	1.1
67.05512	18.0
69.03428	6.9
69.07066	4.4
70.06600	5.1
70.07415	1.0
71.04998	1.9
71.48294	1.0
72.08153	1.1
75.19788	0.9
79.05476	5.1
81.03432	16.1
81.07063	15.7
82.07399	2.3
82.80576	1.0
83.04987	5.5
84.08130	2.2
85.02904	3.9
85.06559	2.1
85.39124	0.9
86.09703	1.6
87.00854	1.4
91.05477	3.9
92.05821	1.2
93.07043	7.2
95.04961	4.9
95.08621	11.1
96.08941	1.4
97.02916	6.9
97.06524	2.9
97.10194	1.9
99.04463	2.8
102.63666	1.2
105.07042	2.4
107.08571	6.0
108.04482	1.3
108.08942	1.8
109.02887	17.5
109.06518	3.5
109.10162	50.3
110.06982	1.0
110.10518	1.0
111.04476	1.3
111.08056	2.0
117.03360	2.5
119.08562	6.5
120.08102	2.4
121.10139	2.8
122.10484	1.4
123.08021	1.2
123.11700	1.8
125.05972	2.6
125.09630	2.4
127.03938	8.4
127.07562	1.5
130.07613	1.3
133.10127	2.2
135.08043	1.4
135.11676	1.7
137.09622	100.0
138.09909	1.3
140.45963	1.0
145.02838	4.1
145.10126	1.9
147.08002	1.4
147.11734	1.8
149.09592	1.6
155.10689	6.5
159.11728	1.4
160.37981	1.1
164.10847	1.0
165.09123	96.4
166.09544	1.5
167.07039	1.2
177.05475	10.4
183.10147	7.1
192.18282	1.8
201.11235	9.5
263.12952	1.5
291.12335	6.4
309.13354	32.3
327.14331	8.4
556.24304	4.3
556.32159	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.9
55.01864	4.9
55.05500	3.2
58.12860	2.0
65.03944	2.7
65.76622	2.3
67.05503	8.4
69.03442	2.5
69.07064	2.7
70.06597	51.4
70.82036	5.0
72.08164	31.1
79.05497	7.6
84.04486	3.7
84.08146	20.8
85.02899	13.1
85.08489	4.6
86.09721	13.4
91.05482	31.8
95.04970	17.8
97.06535	4.6
103.02170	3.0
103.05472	42.5
105.03384	9.2
105.07050	25.8
107.04945	6.2
109.06536	7.3
110.07162	2.6
115.05471	4.1
118.04136	4.2
118.06555	7.8
119.04960	47.7
120.08100	2.8
121.06501	5.6
122.02760	2.7
122.03628	2.9
123.08081	4.0
127.03929	3.8
129.06987	2.3
129.10239	9.3
131.04942	100.0
133.02847	8.2
133.06499	20.1
136.07584	4.1
137.05991	85.2
146.05984	6.1
147.04436	20.3
147.06319	3.1
147.08015	3.1
149.06032	5.8
151.07568	21.7
159.08098	2.5
161.06000	76.6
161.07286	5.1
162.06763	7.0
163.03915	2.1
163.07558	50.0
165.05511	3.6
169.12160	4.2
169.13504	2.2
175.07564	17.4
179.07057	26.0
187.07539	14.9
191.08704	3.0
193.08604	4.8
205.08557	11.6
214.11937	4.7
216.06870	3.2
217.08640	5.6
219.08121	4.3
230.11325	15.8
235.09636	4.3
251.10695	5.3
279.10217	5.3
290.14368	4.6
291.10220	3.3
309.11191	6.4
311.12711	9.4
323.12735	4.6
341.13846	7.6
351.45459	2.2
359.14954	2.8
390.08020	2.3
457.23373	4.4
485.23154	4.4
551.15631	2.4
556.19226	4.0
556.30762	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	555.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38902	3.1
53.03936	10.1
55.01868	6.4
55.05516	49.9
57.03432	6.0
57.07067	8.1
60.09420	2.3
61.02922	3.1
67.05508	36.3
68.99783	3.5
69.03433	28.7
69.07072	29.1
70.06593	9.7
70.41808	2.2
70.65903	3.1
70.66239	6.0
71.04987	6.1
71.08628	2.5
72.08144	3.3
79.05486	22.0
81.03433	22.2
81.07061	100.0
83.04984	46.5
83.08630	17.3
84.08150	5.7
85.02910	28.1
85.06546	9.5
86.09704	4.0
87.00835	13.6
87.04482	2.8
89.06049	7.6
91.05486	18.5
93.07050	46.2
95.04980	14.6
95.08617	72.7
97.02904	15.7
97.06544	16.8
97.10175	14.0
99.04462	9.0
99.08132	4.0
100.11269	5.5
103.05519	3.3
105.01871	4.2
105.07037	33.8
107.04979	4.4
107.08601	45.8
107.33640	2.3
109.02887	14.6
109.06542	12.1
109.10164	44.0
111.04491	3.7
111.08099	19.0
114.09182	14.7
115.03944	2.4
117.07034	6.1
119.08590	32.8
120.08147	2.7
121.06512	5.0
121.10152	33.7
123.04429	6.2
123.08058	6.4
123.11732	29.3
125.09637	20.7
127.03938	24.5
129.07014	3.3
129.10207	2.8
131.08580	10.8
133.10149	22.6
135.08061	6.0
135.11694	46.8
137.05972	5.3
137.09586	5.2
137.13284	13.8
139.11157	12.9
143.08583	5.2
144.88664	2.8
145.04962	6.6
145.10167	14.3
147.08116	4.5
147.11681	28.3
149.09587	3.9
149.13264	14.3
151.07510	5.4
151.11166	6.1
153.12788	6.8
157.10156	4.0
159.02866	4.5
159.07996	4.3
159.11725	18.9
161.09601	4.9
161.13232	12.1
163.11179	3.2
163.14870	7.3
165.12733	6.9
167.07042	3.2
170.15436	4.9
171.11725	5.2
173.09663	4.6
173.13264	9.8
175.14838	8.9
177.12807	3.7
177.16360	3.4
179.14270	3.5
179.17949	2.8
187.11159	4.7
187.14816	7.1
189.16367	11.7
191.17963	33.9
198.14844	5.9
199.11139	3.7
201.16376	7.0
203.18037	4.0
210.14897	3.6
215.17987	11.3
231.04944	6.1
233.19025	6.3
233.34979	3.0
238.76860	3.0
243.65598	2.8
271.24167	9.6
287.23749	2.7
289.21423	3.8
289.25302	13.6
307.18777	7.1
307.26459	2.6
314.27887	3.8
393.13446	6.0
397.27316	3.1
415.28391	3.4
469.24030	10.3
498.59366	2.6
508.03531	2.8
511.25024	11.1
519.29523	4.5
555.23798	24.9
555.33142	3.1
555.41138	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	555.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04794	0.4
55.05514	1.0
62.59859	0.4
67.05496	0.6
68.05836	0.5
69.03437	0.9
70.06599	2.5
70.83253	0.5
70.83641	1.3
71.04945	0.4
72.08146	0.5
79.05504	0.8
81.03397	0.4
81.07061	0.8
83.04990	0.8
84.08138	0.5
85.02922	0.5
86.09713	1.4
93.07056	0.8
97.02884	0.6
99.17690	0.4
105.07030	0.6
107.08584	0.7
109.02912	0.6
116.67864	0.4
125.09690	0.6
127.03947	0.9
137.09671	1.4
138.10023	0.5
138.19377	0.4
139.02121	0.4
165.05542	0.4
165.09155	1.0
182.24629	0.4
182.69635	0.4
210.11319	1.5
211.11624	0.8
271.10864	0.8
282.18948	0.5
285.06610	0.4
285.09421	2.0
287.07327	1.3
289.11807	0.6
329.08539	1.0
345.07999	0.5
347.09521	5.0
411.19766	2.2
493.24194	6.5
495.21793	1.2
555.24188	100.0
556.24066	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	555.219
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74668	0.7
65.24701	0.7
70.06590	1.1
71.46879	1.5
76.37387	0.7
84.08184	0.8
91.03164	0.7
93.08419	0.7
98.97529	0.9
115.05466	2.0
115.72388	0.8
117.07034	1.1
118.06553	18.5
121.42111	0.7
130.06512	2.9
132.08110	6.2
142.06512	2.1
143.07295	2.8
144.08093	12.0
146.06017	58.9
159.09180	6.1
163.03847	1.8
170.06064	4.6
181.99094	0.8
188.07072	100.0
189.07413	1.4
205.09732	40.8
534.21771	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.5145
Annotation	2-OH-C16 :0 Ceramide
Peak:m/z	Relative Intensity
52.47066	0.2
52.89551	0.3
53.03936	1.3
55.01868	0.5
55.05515	11.5
56.04788	0.3
56.05036	4.1
57.03426	0.5
57.07076	5.0
58.06591	0.6
60.04527	26.4
65.03929	1.0
67.05506	19.7
68.05013	0.3
69.07071	13.7
70.06594	2.9
70.65775	0.3
70.66117	0.7
71.04994	0.5
71.08641	2.8
72.04511	0.7
72.08173	0.4
74.06073	0.5
79.05495	17.5
81.07059	18.3
82.06583	1.6
83.04986	0.5
83.08623	9.6
84.08133	0.6
85.10178	1.1
86.06087	1.3
91.05486	3.2
93.07047	14.9
95.04973	0.8
95.08610	14.9
96.08132	3.2
97.06521	1.3
97.10172	5.6
98.09702	0.4
100.07603	1.5
105.04475	0.5
105.07050	0.6
107.08598	8.1
107.09315	0.5
109.10156	6.6
110.09687	0.8
111.08052	0.6
111.11745	1.1
114.09178	0.8
121.10147	12.6
123.11704	1.4
124.11241	0.7
125.09588	0.4
125.13283	0.5
135.11697	7.1
137.13248	0.6
149.13275	1.9
151.14804	0.7
151.41583	0.3
156.17551	0.3
163.14813	0.4
165.16380	0.7
170.19080	0.3
182.19034	0.4
189.64917	0.2
210.74995	0.2
219.21181	0.4
247.24197	3.6
252.26869	0.9
254.24858	1.1
264.26865	12.7
266.24802	0.9
272.25851	10.8
282.27930	17.3
292.26309	0.3
300.29025	1.9
314.26950	0.7
434.32730	0.3
484.50580	0.3
488.48172	0.9
500.48117	0.4
518.49390	5.3
536.50409	100.0
537.50690	2.7
554.51477	3.9
568.35858	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.8
55.01868	0.5
55.05513	5.8
56.05045	2.3
57.05820	0.6
57.07055	0.7
58.41405	0.5
63.75729	0.6
65.03915	0.6
65.57855	0.4
67.05514	1.6
68.10481	0.4
69.03421	1.1
69.07070	1.1
69.59054	2.8
70.06594	8.1
70.74082	0.4
72.08157	25.0
74.06074	0.7
77.09910	0.5
81.07048	0.7
82.06572	3.1
84.04554	0.6
84.08146	100.0
85.02908	1.6
85.04009	0.5
85.06563	0.9
86.06042	0.6
86.09695	3.4
91.05486	11.1
95.05013	0.7
97.02864	0.8
97.06528	0.6
98.21540	0.5
99.01950	0.7
99.09235	1.0
100.07613	0.9
101.10763	2.9
103.05453	1.7
105.07033	0.6
106.06544	0.6
107.04947	1.7
110.06055	2.2
110.07136	0.7
111.09202	3.5
112.07597	2.4
115.05459	1.3
116.04998	1.9
116.05762	0.6
117.05729	0.6
118.06548	30.8
119.04960	2.1
119.07376	2.6
120.08113	9.7
121.06502	1.4
123.04469	1.4
126.29763	0.5
127.08688	2.6
129.10245	38.2
130.06540	1.1
130.08640	1.9
131.04950	2.1
132.05296	0.7
132.08047	0.5
135.06818	1.2
135.08018	0.6
136.07591	8.9
139.08664	1.6
143.04890	1.2
143.90157	0.5
146.06015	35.7
147.04462	1.0
147.09274	0.9
147.11287	3.3
151.11227	0.9
155.08156	7.1
160.11198	1.1
162.05534	2.0
165.05501	2.1
172.11276	1.7
174.05511	0.9
174.12833	3.4
174.35530	0.5
176.05710	0.6
182.08209	2.0
186.09164	0.7
187.03935	7.3
187.07333	0.7
188.04237	4.8
194.06769	1.7
198.05940	0.5
200.10742	4.3
201.13863	0.6
202.12292	0.9
215.13795	0.6
217.08051	0.9
217.13377	2.5
219.14977	2.1
228.10202	1.3
229.13292	2.5
230.05362	0.6
235.14432	0.7
245.12953	9.2
247.14511	2.6
256.14517	0.8
257.12897	1.9
271.14963	0.6
273.12350	3.8
274.15491	6.9
282.10995	0.6
290.14978	7.1
293.14978	3.1
310.17636	15.4
310.21176	1.1
320.16003	1.3
336.15509	5.7
373.22345	1.8
381.17947	0.9
391.08047	1.3
392.08466	4.3
398.21176	1.5
410.20770	0.6
426.20413	0.5
428.22128	0.8
428.59174	0.5
434.10049	0.9
438.20297	0.7
455.22906	25.1
483.22418	18.3
554.29755	58.2
555.30017	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05522	0.8
53.03935	1.0
55.01873	2.3
55.05518	4.8
57.03429	1.4
64.14651	0.8
65.03944	1.1
67.05507	10.3
69.03435	1.3
69.07080	3.8
70.26601	1.5
70.26992	1.8
71.68787	0.8
79.05502	7.0
81.07069	6.5
83.08629	2.1
91.05476	7.6
93.07047	6.0
95.04965	1.9
95.08608	2.2
97.06507	0.9
97.10193	2.4
105.07052	6.7
107.04969	1.1
107.08604	3.4
109.06509	1.2
109.10170	3.4
115.05468	1.4
117.07037	4.9
119.08587	3.4
121.06497	1.4
121.10137	2.5
125.09633	2.1
128.06223	1.3
129.07047	2.4
130.07779	1.2
131.08569	4.5
133.10156	2.1
135.04402	1.5
135.08069	1.7
135.11646	1.6
137.06032	1.4
137.09621	1.0
141.07016	2.1
142.07707	1.0
143.08540	2.4
145.06497	1.8
145.10132	5.8
147.08031	0.9
147.11711	2.2
149.06013	1.3
149.09552	0.9
151.83707	0.9
153.02032	0.9
153.07060	1.6
153.09096	1.3
155.08568	4.2
156.09326	0.9
157.10150	1.9
158.07304	2.1
159.08087	2.1
159.11700	1.8
163.11192	0.9
165.07040	1.7
169.06528	1.9
169.10222	1.7
170.13727	1.0
171.08102	2.2
172.08818	1.1
173.06024	1.3
173.09697	2.6
174.06795	2.4
175.07590	3.4
175.11217	1.1
181.06522	1.1
182.07222	1.3
183.07980	4.1
184.08911	1.0
185.05975	3.8
185.09625	3.1
186.06865	1.1
187.07562	2.3
187.11230	0.9
188.08354	2.0
189.09158	2.4
189.11189	1.3
191.10716	6.0
195.08147	1.2
197.06027	1.6
197.09709	1.2
199.07567	3.6
199.14799	0.9
200.08366	2.6
201.09090	5.0
203.10683	23.0
210.06808	4.6
211.07555	5.8
212.08345	2.0
213.05455	19.2
213.08910	1.5
215.10675	5.3
217.12184	0.9
219.10069	1.6
220.37723	0.9
225.09131	15.5
227.07156	1.9
227.10715	1.4
228.07858	4.6
229.12180	1.7
231.13802	1.4
237.09108	1.0
238.10149	0.9
243.10187	100.0
244.10550	1.2
247.09641	1.7
251.10678	2.8
253.12242	2.1
255.12260	1.1
265.12299	1.4
267.13937	1.7
275.20157	3.2
279.10159	0.9
299.20044	1.4
301.21661	0.8
309.18539	1.6
321.18329	0.9
327.19485	4.0
335.20154	2.6
345.20685	2.4
363.19501	1.6
381.20697	7.1
409.23950	1.7
411.25436	1.0
437.23096	1.0
489.29956	1.1
507.31085	2.9
517.29498	2.8
535.30164	3.2
553.31451	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	553.2989
Annotation	Withangulatin D
Peak:m/z	Relative Intensity
70.06618	0.6
71.48080	0.9
81.07047	0.5
84.08169	0.5
114.11524	0.5
143.15553	0.5
171.92699	0.4
185.04240	2.6
201.03731	1.1
238.52556	0.4
259.07797	0.6
275.07443	0.9
306.87866	0.4
312.10559	1.0
329.11432	0.8
330.11707	1.5
331.09985	3.4
391.24683	1.2
415.19412	1.1
441.21680	0.6
483.22070	1.4
553.29895	100.0
554.30286	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	553.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	12.5
55.01863	5.8
55.05518	29.9
55.85629	5.3
57.07084	6.8
61.02933	8.6
65.03919	6.4
67.05505	59.6
68.99796	10.7
69.03443	27.9
69.07076	52.3
70.06593	8.7
71.05000	4.5
71.24091	8.7
79.05501	26.2
81.03424	28.6
81.07059	100.0
83.04997	29.8
83.08624	21.5
84.23705	5.0
85.02917	24.7
87.00824	10.2
91.05479	26.8
93.07052	60.2
94.95349	5.7
95.04974	23.9
95.08619	85.2
97.02899	11.0
97.06544	12.3
97.10141	7.7
99.04460	10.2
105.07047	65.4
105.07706	8.2
107.04942	5.4
107.08602	57.8
109.02879	23.1
109.06519	21.9
109.10172	64.7
111.04455	5.4
111.08115	6.6
117.07037	11.5
119.08580	45.2
121.06534	17.2
121.10154	46.3
123.08073	10.0
123.11746	24.5
127.03930	11.6
129.01828	6.7
129.07014	10.7
131.08588	21.1
133.10156	40.5
135.08133	11.7
135.11708	30.6
137.09627	10.9
137.13281	6.8
139.11151	7.8
143.08575	11.8
145.10132	27.7
147.08076	16.0
147.11665	31.2
149.09622	13.6
149.13260	16.1
151.11221	6.7
157.10143	13.5
159.08067	6.9
159.11746	21.6
161.09624	22.4
161.13243	15.7
163.11201	13.9
163.14857	10.6
165.09099	7.2
171.11729	8.2
173.09662	11.2
173.13271	12.3
175.11183	12.2
175.14862	14.9
177.12773	6.9
179.10716	6.1
183.11708	5.5
185.13336	5.7
187.14810	6.2
197.13326	6.9
199.14804	5.8
203.14362	10.9
211.14792	7.2
213.12828	5.6
213.16461	8.8
215.14406	8.4
217.12186	5.1
229.15778	5.8
229.19611	4.9
237.25716	5.1
259.24084	6.1
285.22104	6.0
287.23734	7.6
305.21179	7.6
305.24829	11.9
349.25171	7.2
377.24881	5.8
391.11905	6.8
395.25681	24.2
413.26965	14.1
499.26712	7.5
509.87552	5.0
515.62866	5.5
517.28229	4.9
535.28992	10.5
553.16895	10.7
553.29590	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
54.00949	0.5
55.01873	0.7
57.03439	0.5
61.02921	1.1
69.03437	3.2
69.22020	3.8
70.06586	2.2
72.08150	0.8
81.03418	1.3
85.02908	7.1
87.04521	0.6
92.87850	0.4
96.08727	0.4
97.02898	1.9
99.04450	0.5
105.07050	0.8
109.02902	0.8
115.05459	15.2
117.07036	0.7
120.08070	0.7
127.03930	1.3
131.04938	18.4
141.06985	1.1
143.04932	12.4
145.04974	1.0
145.06560	2.3
147.04395	0.8
155.04948	2.0
157.06477	1.3
159.04428	4.8
163.03943	1.2
169.06467	1.3
171.04437	1.8
173.05959	2.2
175.14876	0.9
183.04414	4.8
187.03912	100.0
188.04230	1.6
197.05978	1.6
199.03926	3.7
200.04721	0.6
201.05502	1.7
205.04987	1.3
205.72069	0.5
211.03920	3.7
225.05545	1.2
229.04959	16.6
253.04991	2.0
271.06015	1.0
295.05881	0.8
341.02832	0.5
373.06900	0.6
391.08142	38.6
392.08353	1.3
403.08078	0.5
415.08148	1.2
433.09210	15.7
457.09131	2.0
470.66293	0.5
500.52151	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2813
Annotation	Canthiumine
Peak:m/z	Relative Intensity
55.05512	0.7
57.07079	0.7
66.08096	0.4
67.05515	1.1
69.20218	0.9
69.20632	3.8
79.05476	0.5
79.17871	0.5
81.07050	0.7
93.89603	0.4
95.08595	1.1
98.21475	1.0
105.07039	0.7
109.10165	0.6
110.29635	0.4
119.08620	0.7
147.99718	0.5
161.51447	0.5
167.50351	0.4
363.15897	1.2
377.17575	3.0
378.18292	2.9
379.19330	0.6
391.19193	3.9
392.20068	3.7
393.20770	8.3
405.20856	2.1
406.21506	3.3
407.22324	10.2
419.22516	0.7
420.23297	1.2
421.18155	0.8
421.23865	6.4
422.17422	1.4
423.18201	0.7
431.04138	0.5
433.20065	0.9
435.18134	0.8
436.19031	2.3
437.19766	8.7
445.20343	0.6
447.21848	1.1
448.22549	1.7
449.09808	0.4
450.20270	0.9
451.21304	13.9
465.22778	2.2
466.23782	0.7
473.19934	0.5
477.26694	5.1
479.24463	0.8
480.25214	1.5
488.22455	0.8
493.25787	0.8
503.24509	3.2
508.28705	0.9
509.22278	0.8
509.29065	4.8
524.24371	2.7
535.27161	5.0
553.28119	100.0
554.28516	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.6
55.01870	0.6
56.78396	0.4
57.03423	1.0
59.10944	0.3
61.02908	1.3
65.36524	0.6
69.03431	5.5
70.06582	0.8
71.04986	0.4
73.02902	1.2
74.18618	0.4
79.05511	0.4
81.03401	1.6
81.07076	0.8
85.02909	9.4
86.09691	0.8
87.04466	1.0
91.03949	0.7
91.05460	0.4
97.02901	2.8
99.04482	0.6
101.02357	0.4
103.05518	0.5
103.54792	0.4
105.07061	0.6
109.02879	1.8
109.82559	0.3
115.05461	13.9
118.95087	0.4
119.08570	0.4
121.15362	0.4
127.03949	2.5
131.04939	14.2
137.05995	0.5
143.04932	11.6
145.04971	1.4
147.51971	0.4
159.04428	4.2
171.04492	0.5
187.03918	100.0
188.04286	0.9
205.04968	1.4
220.35239	0.5
229.22147	0.7
312.48926	0.4
331.06253	0.6
345.07474	0.6
357.82544	0.4
373.06992	1.0
391.08151	54.4
392.08340	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
55.01874	3.7
55.05508	2.5
57.03432	2.4
61.02917	1.2
67.05502	2.2
68.99809	2.0
69.03432	33.7
69.07071	1.5
70.06593	7.8
71.04990	2.0
71.47748	1.0
72.08154	3.4
72.32880	1.0
73.02918	1.3
79.05504	2.9
81.03420	7.8
81.07066	4.5
83.04978	3.3
84.04505	2.5
84.08150	3.7
85.02908	13.0
85.06538	2.9
86.03223	2.1
86.09725	7.6
87.00845	5.6
91.05467	2.5
93.07027	3.6
95.04957	1.3
95.08599	2.5
97.02877	5.0
97.06550	1.8
98.03265	0.9
99.04468	3.6
99.08086	1.2
101.06028	3.3
103.05504	0.9
105.01881	3.2
105.07050	1.4
107.04993	1.0
107.08589	5.4
109.02880	6.0
109.06511	1.2
109.10165	2.6
110.03249	1.6
111.08072	5.2
113.09639	5.4
117.01911	0.9
119.08603	1.1
120.08103	2.8
121.02863	0.8
121.10150	1.8
123.08006	1.1
123.81440	0.8
124.09178	0.9
125.09637	100.0
127.03925	9.3
128.04311	2.3
128.95999	0.9
129.01859	1.0
129.10234	1.8
130.06548	1.0
131.04893	1.1
131.08578	1.5
133.10107	1.9
135.08083	1.0
136.07529	1.1
137.02316	2.7
137.03311	1.1
137.05989	2.0
139.07527	6.2
139.11195	1.2
142.12506	0.9
145.04982	2.8
145.10098	1.0
147.02875	0.9
149.09627	2.5
150.41676	1.0
153.01839	2.5
153.09024	1.8
154.02141	1.3
157.08597	1.2
159.02901	3.1
160.03300	0.9
165.01804	1.7
165.09062	1.2
167.10701	3.9
173.13116	1.4
181.12315	1.0
183.10129	2.3
185.00890	1.8
189.03369	1.2
195.10187	2.9
201.05478	1.1
203.01915	8.9
209.11816	1.2
215.14253	1.2
229.04951	3.1
230.05247	1.6
233.15419	3.1
251.16405	9.5
258.04770	1.3
269.17493	73.6
273.64636	0.8
286.23740	1.3
287.18539	27.1
303.04999	35.8
304.05347	55.9
305.05624	2.1
343.12027	0.8
404.11575	0.8
411.94626	0.8
422.12390	2.3
428.75244	0.9
552.30029	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.431
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14473	2.0
55.05507	18.0
57.07082	46.6
65.03957	3.1
67.05511	43.2
69.07076	21.6
70.08482	8.9
71.05006	4.1
71.08636	35.0
74.90273	2.3
79.05502	20.6
81.07061	100.0
83.05001	4.5
83.08633	17.2
83.37459	2.2
85.06552	3.2
85.10186	17.9
89.34939	2.3
91.05479	15.8
93.07063	12.1
95.04967	2.5
95.08614	39.6
96.08935	2.5
97.06537	5.9
97.10152	12.0
98.21104	5.8
99.08096	5.4
104.28284	2.2
105.07032	36.0
107.08605	9.4
109.06537	4.1
109.10139	11.3
109.89872	1.9
111.11718	4.1
119.08588	24.8
121.10133	19.0
123.08058	3.3
123.11710	36.4
137.13281	4.0
147.11691	70.5
165.12775	35.3
165.70686	1.9
183.13858	5.6
186.51378	2.4
200.67424	2.5
229.14430	5.0
242.61667	2.4
267.15939	42.5
267.18671	3.4
267.26974	5.0
275.50726	2.3
303.05130	4.8
409.96188	2.3
431.88248	2.5
551.26331	5.5
551.43140	88.2
551.50378	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	551.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.3
55.05513	12.8
57.07081	8.6
65.03931	3.1
67.05515	28.4
69.06734	1.8
69.07076	22.3
69.16719	5.3
69.17142	11.0
71.08633	3.1
76.21822	1.8
77.03903	1.9
79.05504	25.7
81.06601	2.1
81.07066	36.9
83.08630	11.1
85.06528	2.3
85.10178	2.3
91.04991	2.0
91.05499	36.8
93.07054	53.5
95.04976	4.0
95.08620	41.5
95.87321	1.6
97.10146	4.6
103.05480	3.1
105.07041	60.0
107.08611	52.3
109.06562	2.0
109.09475	3.0
109.10167	41.9
115.05483	4.0
116.06251	1.7
117.07037	15.1
119.06118	2.8
119.08598	100.0
121.10155	47.2
123.08076	2.4
123.11707	14.1
125.09650	2.1
128.06229	6.7
129.07018	8.9
130.07770	6.9
131.08580	29.2
133.07761	1.5
133.10155	52.7
135.11707	35.9
136.25511	1.6
137.09590	5.2
137.13234	1.7
141.07019	4.0
142.07796	10.3
143.08571	24.3
144.09351	5.5
145.10139	60.7
147.11707	21.8
149.09616	2.7
149.13272	4.9
153.07065	1.9
155.08571	9.5
156.09364	11.8
157.10136	36.5
158.10902	4.9
159.11713	34.1
161.13271	10.4
163.14937	1.7
165.07040	3.5
167.08554	3.0
168.09361	2.5
169.10139	22.9
170.10907	5.3
171.11711	21.0
173.13281	19.8
174.63708	1.6
175.14850	33.0
179.08556	5.9
180.09395	3.0
181.10097	9.0
182.10905	5.0
183.11743	16.7
185.13266	15.1
187.14835	15.8
189.16319	4.5
191.14355	2.3
193.10124	6.1
193.15878	2.0
194.10883	6.6
195.11691	10.1
196.12437	3.0
197.13263	18.4
199.14818	7.1
201.16362	12.0
203.14650	1.9
205.15897	2.6
206.10994	3.0
207.11697	5.6
208.12447	3.6
209.13284	11.9
211.14920	8.7
213.16356	7.1
215.17966	1.8
219.11609	2.6
219.17476	2.9
220.12569	2.2
221.13260	6.3
223.14822	12.3
225.16426	3.7
227.17938	2.8
231.17323	1.7
233.13248	2.7
235.14894	7.6
236.48381	1.9
237.16411	4.5
239.17964	3.6
241.19351	1.9
245.13184	2.6
247.14850	4.0
249.16405	3.6
251.17989	3.9
253.19424	3.1
259.14664	2.0
261.16406	3.2
263.17966	2.5
265.19592	3.4
267.21085	3.5
277.19427	2.1
279.21173	3.4
287.17734	2.5
289.19659	1.8
303.04965	3.1
329.22537	2.3
363.27090	1.7
411.30615	2.3
533.41541	4.1
551.42499	29.5
551.50085	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59900	0.5
53.00601	0.4
53.03947	1.7
53.08130	0.4
55.01873	1.0
57.03428	0.7
57.55079	0.5
59.79772	0.4
61.02917	1.4
61.07619	0.4
63.67085	0.4
68.99805	0.7
69.03433	7.1
70.43615	1.1
71.04993	1.3
73.02914	0.5
76.10246	0.5
79.05514	0.4
81.03416	5.2
85.02910	8.0
87.00847	3.3
92.93985	0.5
97.02898	14.9
99.04463	2.8
105.01865	1.5
109.02893	3.9
111.00824	1.4
121.02821	0.6
127.03931	5.2
137.02353	3.7
145.04951	6.3
149.02390	0.5
153.01852	3.7
159.02986	1.0
163.03944	0.5
165.01863	2.1
173.06062	0.6
182.08234	0.4
183.03009	0.5
187.03993	0.6
189.09311	0.4
195.02776	0.6
201.05435	2.4
229.04991	5.0
231.05090	0.6
247.06122	0.7
257.04489	2.9
267.67789	0.5
274.04745	0.7
285.03973	1.6
303.05008	100.0
304.05334	1.7
327.11691	0.5
384.84851	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2841
Annotation	Gln Phe Glu Lys
Peak:m/z	Relative Intensity
51.72329	1.0
58.57456	1.1
60.61371	1.1
61.02927	0.9
67.05500	1.2
69.03426	2.0
69.07076	1.5
70.06596	1.0
70.98483	1.5
70.98792	1.1
71.05003	1.5
72.99424	0.9
79.05485	1.5
81.03413	2.3
81.07054	2.5
83.39163	1.0
84.38174	1.0
85.02923	3.0
87.00812	1.6
91.05504	1.1
93.07066	2.6
95.04944	1.9
95.08627	1.4
97.02890	1.0
105.07030	2.6
107.08610	3.0
109.02889	3.2
109.10150	2.5
110.18530	1.0
119.08570	1.6
121.10116	1.4
127.03913	3.7
133.10143	1.1
135.11658	1.4
137.05975	1.1
137.09685	1.1
145.10182	1.3
153.01959	0.9
303.05029	22.5
303.15527	1.0
334.20285	1.0
389.22794	2.7
551.28339	100.0
552.28790	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1032
Annotation	Quercetin 3-(6''-malonylgalactoside)
Peak:m/z	Relative Intensity
50.95110	0.6
51.21596	0.6
53.03935	2.2
55.01863	2.1
57.03423	1.0
68.99792	1.7
69.03431	7.1
69.61330	3.0
71.04999	0.7
73.02908	2.1
81.03423	9.2
85.02446	0.8
85.02911	12.3
85.76744	0.6
87.00829	5.7
97.02901	4.0
99.04465	2.4
105.01858	2.7
108.58691	0.7
109.02895	6.2
111.00788	1.1
117.01836	1.1
121.02816	1.0
127.03933	8.9
137.02325	3.4
142.93993	0.6
145.05019	3.2
147.02907	0.6
153.01881	3.5
159.02901	4.9
163.03899	0.6
165.01871	2.0
183.02942	0.6
201.05516	1.4
207.00291	0.7
229.05040	4.4
231.05054	0.8
247.06038	0.7
255.27547	0.6
257.04440	2.5
285.03937	1.9
303.05008	100.0
304.05276	1.3
354.26431	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.6
55.01884	3.4
55.05516	31.8
55.70530	2.2
57.07078	15.0
59.01813	2.0
67.05511	44.7
67.05846	4.0
69.06731	4.3
69.07076	49.2
71.05004	3.7
71.08651	8.3
79.05502	27.4
81.07066	100.0
83.04998	3.8
83.08633	29.1
85.06570	7.0
85.10215	2.5
91.05487	20.1
91.49184	2.1
92.43453	2.2
93.07055	24.2
95.08617	53.5
95.09183	3.8
97.06563	8.8
97.10188	19.0
98.20808	5.8
99.08104	4.0
105.07038	30.7
107.08595	18.5
109.06552	3.7
109.10175	17.2
111.11746	5.1
117.07025	2.6
119.08573	24.6
121.10162	28.6
123.11720	30.9
127.07590	2.5
133.10181	3.0
135.11739	10.0
137.13303	2.5
145.10201	3.1
147.10545	4.2
147.11703	57.8
147.12802	3.6
149.13290	4.2
163.11244	3.5
165.12772	32.2
183.13873	5.0
227.12891	7.6
229.14383	5.6
247.74379	2.2
265.25290	11.0
267.15945	65.2
391.18860	4.3
405.20938	3.3
407.22556	4.9
435.21878	5.4
463.25146	2.8
517.22595	6.7
549.25256	39.0
549.41632	96.9
549.48969	6.1
550.42017	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.0
55.05513	36.8
57.03430	3.4
57.07075	14.0
64.47629	1.4
64.94608	1.3
65.03942	3.0
65.09966	1.4
67.05508	48.4
69.07072	43.5
69.07402	1.1
70.62386	5.1
71.04999	4.0
71.08628	5.8
76.59389	1.4
79.05498	26.4
81.07058	100.0
83.04979	4.7
83.08618	29.6
85.06541	5.1
85.10181	3.5
86.04192	1.6
91.05483	23.8
93.07052	21.9
95.08609	42.9
97.06532	5.6
97.10175	15.3
99.08117	2.4
105.07030	32.7
107.08601	14.0
109.06554	3.0
109.10165	13.2
111.08123	2.4
111.11718	5.0
111.12489	1.3
119.08591	26.3
121.10145	26.1
123.08074	4.0
123.11714	24.5
125.13304	1.7
127.07595	2.9
135.11703	6.2
137.13254	3.0
145.10052	1.6
147.11691	57.1
149.13289	3.3
165.12766	31.9
183.13832	3.3
185.70825	1.7
190.98692	1.5
229.14365	4.6
247.24213	2.1
265.25284	8.8
267.15930	49.2
477.43860	1.6
549.41528	72.6
549.48926	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	11.7
63.77847	9.2
67.05497	28.8
69.03444	23.8
69.07116	9.5
69.15063	59.4
69.15494	44.1
70.06597	21.4
71.18699	9.8
72.08119	11.3
73.27402	12.1
79.05503	14.3
81.03418	22.3
81.07066	22.8
85.02916	16.0
91.05475	16.1
95.08624	14.4
99.04460	11.9
105.07070	11.3
107.08572	14.6
109.02901	23.4
109.10160	50.5
115.05458	19.5
119.08609	13.5
121.10191	12.7
127.03920	16.3
133.80586	9.9
137.06015	14.6
137.09616	100.0
141.41971	9.9
145.10156	11.9
165.09122	80.2
187.03944	39.3
301.06985	18.4
309.13297	17.3
327.14526	15.9
423.21133	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	549.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82672	0.5
53.03949	1.5
55.01865	1.8
55.05507	1.5
57.03431	1.3
61.02917	1.4
65.03943	0.8
67.05502	1.3
68.99787	3.0
69.03436	15.0
69.07050	1.7
69.58262	2.7
70.06593	3.9
71.04971	0.6
72.08141	1.7
73.02938	0.8
79.05497	0.8
81.03429	3.8
81.07075	2.5
83.04960	0.8
83.23293	0.5
84.08127	1.1
85.02914	10.5
85.06540	1.4
86.09727	3.1
87.00850	3.7
91.05474	2.4
93.07041	2.5
95.04955	1.2
95.08607	1.8
97.02888	1.1
97.06527	1.3
97.10162	1.4
99.04472	1.2
101.54414	0.5
103.03938	1.3
103.05492	0.6
105.01857	1.1
105.03356	0.7
105.07032	2.0
105.78602	0.6
107.04952	1.1
107.08609	2.9
109.02905	3.3
109.10117	0.9
111.08091	0.6
113.09641	1.6
115.05451	0.7
119.04932	0.6
119.08620	1.0
120.08092	1.9
120.35084	0.4
121.02866	1.5
121.06503	0.6
121.10127	0.9
123.08063	0.7
125.06046	0.8
125.09641	29.2
127.03919	3.7
129.01816	1.8
129.10211	0.6
131.04941	1.4
131.08563	0.9
133.06467	0.5
133.10172	1.3
135.08073	0.8
135.11635	0.9
136.07571	2.3
137.02266	0.5
137.06018	5.6
140.26204	0.5
141.01801	0.7
145.04941	0.6
145.10152	1.4
147.02919	0.8
147.04382	1.5
148.05164	0.6
149.02362	1.4
149.05960	3.3
149.09663	0.8
150.09142	1.1
151.03912	6.5
153.01826	0.6
153.12723	4.1
159.02864	0.7
159.04323	0.5
159.11464	0.7
161.05960	1.5
161.09608	0.6
163.03885	1.6
165.01849	10.8
167.03424	3.2
167.07031	1.4
175.03911	2.2
177.01923	0.7
177.05547	0.7
179.03314	0.6
183.02930	2.8
187.03912	1.9
189.01828	1.0
191.03442	0.6
195.02946	2.0
205.04968	1.5
215.03362	1.5
217.04852	0.8
219.10216	2.1
229.05037	0.8
229.19554	0.6
233.04337	0.6
243.02965	0.8
243.06558	2.0
244.03535	0.6
254.05792	1.5
257.04678	0.8
258.05276	1.2
261.03946	0.8
265.21692	1.9
268.07309	1.1
269.08340	1.0
270.05188	3.9
271.06058	3.4
272.06836	1.1
282.05203	7.6
282.08737	0.8
283.14746	0.5
283.22778	5.7
286.04742	2.8
286.07928	0.7
292.07291	1.4
294.05118	0.7
295.06131	1.2
295.61163	0.5
296.06796	11.6
297.07587	4.7
298.04742	15.5
299.05579	1.9
300.06271	11.3
301.03934	0.4
301.07101	11.2
301.15512	1.8
307.09827	0.7
309.07596	2.6
310.04700	7.1
310.08377	6.4
311.05627	1.1
311.09088	7.0
312.06299	1.6
313.07074	57.8
314.07779	7.9
320.06747	4.2
321.07639	1.0
322.04596	0.9
323.05554	1.2
324.03043	0.5
324.06271	15.3
325.07089	13.2
325.10739	3.8
327.05139	1.4
327.08682	3.8
328.05792	19.9
335.09067	3.7
337.07147	3.3
338.03906	1.2
338.07828	13.4
339.05109	1.6
339.08664	19.9
341.06610	1.5
343.08148	100.0
344.08469	1.4
348.06244	5.8
349.06891	0.7
351.08691	1.3
352.05820	1.2
353.06732	1.0
353.10214	26.1
355.08157	0.8
357.20636	0.6
363.08655	10.4
366.07324	1.7
367.08157	51.5
368.08383	0.7
371.14676	1.0
376.05783	2.8
379.08264	0.7
381.09717	6.1
385.09113	0.7
391.08157	10.9
393.09802	1.0
394.06781	2.8
397.09164	2.0
409.09207	59.4
410.09464	0.9
427.10284	7.0
445.11499	3.5
451.10272	1.0
469.11258	5.3
487.12463	0.8
495.08987	2.5
513.10327	33.6
514.10382	0.7
531.11346	11.8
531.18665	0.7
549.12225	2.6
549.21246	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
55.01868	1.1
55.05508	0.8
57.03421	0.8
61.02925	1.6
67.05489	1.0
68.99791	2.9
69.03433	11.7
69.07056	1.4
70.06586	3.2
70.78288	2.2
72.08141	1.8
75.72950	0.8
79.05482	1.4
81.03413	3.1
81.07045	2.0
83.04958	0.8
85.02910	9.2
86.09686	3.0
87.00812	2.9
91.05494	1.2
93.07024	1.7
95.04990	1.0
95.08614	1.7
97.02883	1.0
97.06558	1.2
105.07043	1.8
107.04977	1.0
107.08582	1.5
107.20926	0.7
109.02881	3.9
109.10177	0.9
111.08121	0.7
113.09658	1.5
119.04938	1.4
120.08142	1.1
121.02839	1.3
121.06483	0.9
123.04446	0.8
125.06004	0.8
125.09636	23.0
127.03924	1.7
129.01868	1.7
135.11650	1.2
136.07625	1.0
137.06003	3.9
147.04439	1.4
147.11758	0.9
149.02380	1.7
149.06032	4.0
151.03889	7.7
153.12741	2.5
159.07967	0.7
161.05992	1.1
163.03993	1.1
164.29924	0.8
165.01833	10.9
167.03415	2.6
167.06975	1.4
173.78079	0.8
175.03957	2.4
177.01842	2.4
177.05411	0.9
181.04999	1.1
183.02975	1.5
187.03867	1.3
189.01897	0.7
191.03334	0.9
193.04941	1.6
195.02888	2.0
205.05016	2.3
215.03401	2.2
217.04912	0.7
219.10136	4.9
233.04359	0.9
236.33165	0.8
243.02991	0.7
243.06514	1.9
254.05801	1.6
257.04541	1.0
258.05347	1.3
261.03885	0.8
265.21631	2.1
268.07416	1.9
270.05225	3.2
271.06024	3.8
272.06949	1.5
282.05246	6.6
283.14426	1.0
283.22888	3.4
286.04651	2.4
292.07373	1.0
295.05991	1.9
296.06790	11.5
297.07660	5.5
297.10760	1.1
298.04745	15.2
299.05466	1.8
300.06284	9.9
301.06958	8.7
303.05206	1.0
309.07556	2.3
310.04694	8.2
310.08377	6.3
311.09076	6.3
312.06363	2.0
313.07059	55.7
314.07776	6.2
320.06799	3.5
321.07364	1.1
323.05609	1.1
324.06317	12.8
325.07053	11.8
325.10773	4.0
327.05038	1.6
327.08588	4.5
328.05731	18.0
335.09189	3.3
337.07098	3.4
338.07819	10.0
339.05093	1.5
339.08609	23.1
341.06601	1.8
343.08136	100.0
344.08597	2.0
348.06268	5.3
349.07053	1.3
351.08469	1.1
352.05823	1.3
353.06061	1.6
353.10217	27.9
363.08575	10.3
365.06427	1.2
366.07315	1.6
367.08142	49.8
369.09662	1.0
371.14786	1.7
376.05896	3.2
379.08139	1.3
379.68210	0.7
381.09872	6.4
391.08148	10.6
394.06790	3.1
397.09238	1.7
409.09189	61.8
427.10257	7.1
445.11276	4.8
451.10355	1.1
467.76440	0.7
469.11356	3.7
495.09161	2.6
513.10321	35.4
531.11487	12.9
549.12354	1.6
549.20343	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1246
Annotation	Luteolin 4'-methyl ether 7-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
50.81091	0.3
51.96931	0.2
53.03941	0.9
55.01871	0.9
57.03436	0.3
61.02923	0.6
67.01858	0.4
68.99802	0.9
69.03432	1.9
69.95746	0.5
69.96139	0.5
70.06589	0.2
71.04977	0.3
73.02908	0.4
81.03419	2.4
85.02908	4.0
87.00832	1.6
91.05465	0.2
95.04987	0.3
95.08607	0.3
97.02883	1.1
99.04450	0.7
103.03931	0.3
105.01851	0.8
105.03397	0.7
105.07001	0.3
107.04968	0.6
107.08653	0.3
109.02892	1.7
109.06526	0.3
117.01888	0.2
119.04958	0.3
121.06480	0.3
123.04444	0.5
127.03927	1.5
129.01799	0.6
131.05011	0.2
135.04399	0.4
137.05951	0.3
145.04944	0.5
147.04327	0.3
147.08035	0.4
151.03880	0.3
159.02898	0.9
161.02365	2.6
161.05997	1.0
163.03906	1.6
167.01988	0.6
167.03412	10.9
171.04439	0.9
175.03941	0.7
175.07513	1.1
179.03392	0.3
185.06003	0.4
189.09109	0.3
203.07036	4.7
205.04938	0.3
213.05537	0.4
216.04178	1.0
217.08643	0.8
219.06660	0.3
227.07016	0.9
230.05745	0.7
231.06541	16.3
232.06813	0.3
233.08058	0.5
240.04161	0.6
245.08124	4.3
253.05093	0.2
255.06448	0.8
259.06033	1.5
268.03580	0.3
269.08029	0.8
273.07584	1.9
283.06033	1.0
297.07513	0.7
301.07080	100.0
302.07520	1.5
313.06894	0.4
321.07532	0.4
325.07095	5.7
325.10999	0.3
337.07108	0.3
339.08548	0.3
343.08197	2.4
349.07251	0.3
363.08582	0.4
367.08179	1.7
391.08139	0.7
409.09348	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1242
Annotation	Luteolin 3'-methyl ether 7-malonylglucoside
Peak:m/z	Relative Intensity
56.07092	0.1
65.20205	0.1
67.05501	0.1
69.03424	0.2
69.07077	0.2
69.82371	0.3
69.82782	0.3
70.06573	0.3
85.02890	0.2
86.09708	0.2
91.05453	0.1
93.07063	0.2
96.94827	0.1
99.04565	0.1
107.06992	0.1
109.02885	0.2
109.10184	0.2
120.08083	0.2
123.04419	0.3
133.05432	0.1
137.06013	0.2
147.04362	0.2
149.05949	0.2
151.03917	1.1
153.01820	0.9
153.62413	0.1
165.05457	0.2
167.07014	0.2
177.05431	0.2
219.10149	1.0
229.04842	0.3
258.05255	15.5
259.05673	0.3
286.04727	38.7
287.05148	0.5
301.07065	100.0
302.07413	1.7
371.14899	0.6
463.12286	1.4
505.13583	0.2
518.73218	0.1
531.11237	0.3
549.12494	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	548.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
55.05528	2.4
56.05043	14.7
57.03423	0.5
60.04513	0.5
60.51377	0.5
61.01156	7.8
69.03444	0.9
70.02971	0.4
70.06599	100.0
70.87061	0.7
70.87386	0.9
71.06919	0.7
72.08163	29.6
74.06080	3.5
81.03418	0.5
84.04502	1.4
84.08156	1.6
85.02909	2.0
86.09721	2.0
97.02880	0.7
98.13245	0.4
100.33163	0.5
101.07169	0.9
102.05518	0.4
104.05341	29.2
109.02861	0.9
110.07201	0.7
111.09247	0.9
112.03963	1.1
115.05525	0.5
116.07108	1.4
120.06610	1.1
120.08115	1.1
121.02820	0.7
123.46240	0.5
127.03937	0.8
128.10727	5.2
129.10237	0.7
130.05002	1.1
138.09174	1.1
145.04921	0.5
147.04443	0.8
148.11217	0.5
157.09749	0.9
163.03905	1.8
173.12842	4.0
181.09735	1.2
182.08157	0.6
183.11310	8.1
187.03932	1.6
188.04332	0.8
199.10844	3.4
200.54572	0.5
201.10667	0.8
201.12306	3.8
205.05052	1.1
207.13876	0.8
217.11856	88.9
218.12186	0.9
229.10136	1.3
232.18610	0.5
247.09676	0.6
269.13214	1.5
282.12384	0.8
287.14175	1.1
299.05698	0.6
300.05804	0.8
314.11908	0.9
314.15240	5.1
330.14844	1.4
335.63303	0.5
348.15881	11.7
353.02673	0.5
358.14304	0.5
548.19409	1.0
555.88776	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	22.6
57.03464	1.1
69.03429	2.0
69.51612	5.5
69.52020	1.5
71.95250	1.6
72.08156	1.8
72.36577	1.1
84.08141	1.7
84.96040	8.2
85.02907	2.4
86.09709	2.2
91.05473	1.0
97.96800	2.9
98.20763	1.7
98.97591	100.0
107.04911	1.0
107.79530	1.1
110.97576	34.8
112.99155	6.0
113.91788	0.9
115.97808	1.1
116.97833	1.4
116.98634	26.0
119.04964	1.1
120.08115	4.8
121.06475	1.5
121.08495	1.6
123.98716	0.9
124.99097	2.2
126.96961	1.2
128.98621	27.0
129.10309	1.0
131.00143	5.7
134.99657	6.2
135.04456	2.7
140.98593	2.2
143.00171	10.4
144.98111	2.8
145.02881	2.0
146.38484	0.9
146.99660	12.1
147.04433	2.3
149.01234	2.4
152.98619	7.3
158.99652	9.7
161.01236	6.1
163.03923	8.2
166.08649	2.2
167.08862	1.2
170.99654	12.5
177.00691	6.4
177.05533	1.9
179.00160	1.4
185.01204	1.2
188.99281	1.0
189.00708	6.5
193.98874	1.5
195.03337	2.6
201.00667	10.2
205.01717	1.4
208.00496	3.9
211.99968	1.8
213.04451	1.4
219.01779	73.2
223.02776	8.1
226.01567	6.2
235.02823	18.7
237.02829	95.9
238.01408	1.5
241.03819	14.7
242.03484	1.8
244.02524	1.5
245.03192	1.0
251.02502	1.0
253.03835	14.1
255.01703	1.8
255.03973	2.8
259.05002	2.4
260.02054	2.5
263.04507	9.5
265.03857	3.4
265.06549	1.5
269.03275	1.6
269.91467	1.1
271.04861	7.5
274.07111	1.2
281.05450	2.1
283.04865	2.0
295.04712	1.1
301.03754	1.1
305.03476	1.3
307.04727	1.4
313.06253	1.3
319.04901	2.9
325.05807	1.1
337.06009	6.0
353.05551	1.7
355.07211	2.2
367.07037	9.4
371.06293	1.6
379.06531	1.4
385.08136	3.7
397.08115	13.9
415.09149	82.1
416.09485	2.2
433.10233	55.5
434.10367	1.5
456.11722	3.1
487.11194	1.5
489.09341	2.0
501.09702	1.2
513.09100	4.7
531.10248	9.9
549.11285	52.7
550.12036	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.278
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74414	0.3
60.25484	0.3
66.57223	0.3
88.72808	0.3
95.24541	0.4
99.68581	0.4
157.37326	0.4
207.09290	0.4
239.66248	0.3
374.15369	0.4
376.17093	0.4
388.16397	2.1
389.17203	1.4
390.17969	1.9
391.19788	0.5
401.17969	1.1
402.18201	2.7
403.18970	4.0
404.19513	5.0
415.19470	0.7
416.20230	2.2
417.20749	3.3
418.21402	5.3
419.21899	3.2
430.17560	1.1
430.21973	0.6
431.17670	3.6
432.18430	7.2
432.24051	0.7
433.24203	3.6
434.24280	14.0
445.19229	2.3
446.20074	11.1
447.20975	3.9
458.20044	0.5
459.21536	1.1
460.21710	4.4
461.22925	17.2
462.23779	14.4
473.23041	1.0
474.23740	4.1
475.24680	1.8
488.25323	1.0
489.26077	1.0
490.22809	0.6
505.25537	0.7
518.23346	0.4
520.28015	3.0
528.60052	0.4
533.25085	1.5
548.27423	100.0
549.27557	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01616	1.2
51.51616	1.1
51.57433	1.0
53.03945	4.5
55.01881	2.8
55.05517	20.2
57.03433	2.8
57.07084	3.7
65.03940	3.1
67.05511	67.5
69.03469	1.6
69.07073	22.0
69.55602	7.7
70.50982	1.4
71.04986	3.1
71.08622	1.8
78.14845	1.5
79.05497	33.8
81.07061	100.0
83.04994	5.0
83.08627	12.5
85.06556	5.6
91.05486	30.5
91.06022	2.0
93.07053	30.3
95.04989	3.8
95.08615	51.2
97.06533	6.1
97.10186	5.2
97.72876	1.5
99.08116	3.1
105.07037	33.7
107.08616	17.9
109.06552	2.0
109.10161	17.6
111.08133	1.8
117.07037	5.1
119.08598	23.8
121.10160	20.4
123.08104	2.9
123.11719	21.6
125.09638	1.4
129.07004	1.6
131.08620	7.2
133.10141	9.5
135.11707	7.1
137.13260	2.6
143.08600	1.7
145.10152	7.3
147.11703	43.5
149.13316	5.5
157.10138	3.1
159.11731	3.4
161.13306	3.5
163.14790	1.5
165.12770	19.8
171.11760	1.5
173.13297	3.1
175.14919	3.9
177.16322	1.5
183.13873	2.3
183.94424	1.1
185.13370	1.4
195.13968	1.6
219.32701	1.1
229.14412	4.7
245.22690	2.8
261.22305	3.7
263.23773	4.8
267.15948	32.3
269.17780	1.6
285.17197	1.5
335.25784	1.6
372.02106	1.3
437.34369	2.6
455.35400	3.8
473.36221	3.9
508.73065	1.3
511.37845	3.1
529.38922	15.5
547.23395	1.9
547.40070	47.7
548.40979	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57621	1.0
53.03949	4.0
53.19164	0.8
54.09315	0.8
55.01871	2.1
55.05515	19.9
57.03437	3.0
57.07066	2.8
64.73524	1.0
65.03947	3.3
67.05508	67.9
69.06728	1.9
69.07073	21.0
69.92195	4.5
71.04999	3.3
71.08630	1.1
71.28166	1.1
71.72942	0.9
78.42265	0.8
79.05499	25.1
81.07061	100.0
83.04984	4.4
83.08620	11.2
85.06554	5.2
91.05486	25.2
93.07050	18.6
95.04993	2.5
95.08609	45.5
95.38361	1.0
97.06521	4.6
97.10184	4.9
99.08097	3.5
101.06043	1.2
105.07036	30.2
107.08589	14.3
109.06544	3.1
109.10167	14.5
111.08105	1.8
111.11789	1.6
113.09611	1.1
119.08591	24.4
121.10151	18.5
123.08079	2.8
123.11710	23.4
127.07537	1.5
127.11213	1.1
129.07057	1.2
131.08582	2.7
133.10159	6.7
135.11740	4.3
137.13301	4.6
139.11342	1.0
145.10144	1.8
147.11693	42.9
149.13307	4.1
161.13281	2.7
163.14909	2.1
165.12755	22.1
175.14915	2.2
183.13872	3.7
193.12241	2.2
211.13406	1.1
229.14403	3.2
244.24965	1.1
245.22711	2.8
263.23743	6.4
267.15924	40.5
285.17123	2.3
455.35101	1.5
473.36465	2.3
529.39111	3.6
547.40063	59.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25456	1.0
70.06589	1.3
71.47977	1.3
72.08159	1.4
85.02921	1.5
86.09686	1.3
91.05446	1.3
98.97560	0.9
106.19218	1.1
115.05444	1.8
118.06547	22.2
130.06538	1.6
132.08087	6.6
142.06531	1.8
143.07291	2.9
144.08084	11.4
146.06017	57.6
159.09189	6.7
163.03914	3.3
166.27455	1.2
170.06020	3.9
188.07079	100.0
189.07469	1.4
205.09732	42.3
320.02530	1.1
453.68024	1.0
542.39282	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69506	0.9
53.03949	2.4
55.01878	1.4
55.05515	18.0
57.03437	3.4
57.07083	2.7
65.03944	2.7
67.05510	66.6
68.38326	0.8
69.06731	1.6
69.07077	21.0
69.30803	2.3
69.31201	6.5
71.04976	1.9
77.03938	1.2
79.05498	24.1
81.07063	100.0
83.04992	4.2
83.08632	10.3
85.06548	3.9
91.05489	23.9
93.07053	22.5
93.07637	1.2
95.04957	1.9
95.08617	42.5
97.06540	6.2
97.10177	2.6
99.08096	3.3
105.07037	35.4
107.08611	14.6
109.06519	2.4
109.10166	16.4
111.08090	1.2
113.05984	1.4
115.07599	0.9
115.86763	1.0
117.07036	1.3
119.07716	1.1
119.08588	23.3
121.10154	20.4
123.08066	3.5
123.11710	27.7
125.09647	1.4
127.07578	2.3
129.07007	0.9
131.08574	2.3
133.10159	5.2
135.11691	4.1
137.13268	4.5
141.09119	1.1
145.10094	2.0
145.58064	1.1
147.11699	49.4
149.13274	3.6
151.14803	1.2
161.13322	1.7
161.55943	1.0
163.14853	2.0
165.12778	24.8
175.11139	1.1
175.14787	2.4
177.16350	1.2
183.13855	2.7
193.12341	1.1
229.14352	5.6
245.22636	3.5
263.23816	5.6
267.15927	41.8
284.06567	1.0
285.16971	2.0
455.35367	1.5
529.38501	2.9
547.40308	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	547.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.3
53.18299	2.5
55.01876	6.2
55.05505	10.3
65.03950	3.4
67.05495	10.8
69.03424	15.9
69.07072	4.0
70.06590	12.7
70.16220	2.0
70.84140	7.9
71.04982	3.1
72.08176	2.8
79.05502	15.6
81.03437	12.3
81.07055	10.1
83.04990	5.3
84.08134	4.0
85.02896	10.6
86.09718	8.3
91.05480	20.0
93.07050	12.9
95.04978	7.5
95.08603	10.2
97.02872	17.5
97.06528	15.3
99.04449	4.6
103.05492	3.6
105.07058	17.7
107.08606	100.0
109.02889	12.0
109.06535	5.7
109.10149	9.8
111.08097	4.2
115.05448	12.3
117.07014	6.5
119.08588	8.8
120.08156	3.3
121.06532	4.6
121.10148	7.6
123.08078	2.2
123.11721	5.2
124.20997	2.0
125.09647	7.5
127.03923	13.6
129.07056	3.7
131.04929	12.6
131.08554	4.3
133.06493	3.4
133.10123	5.5
135.08067	56.8
137.05946	4.5
137.09663	5.4
143.04927	12.7
145.10106	7.5
147.04422	4.4
149.09662	4.9
149.13254	2.6
151.11125	3.0
153.09073	17.6
154.07886	2.2
159.04416	3.1
159.08028	2.8
159.11549	2.2
163.03886	3.0
163.07533	17.1
163.11172	3.4
173.13370	2.5
181.08612	3.9
187.03923	84.0
189.09085	3.9
197.13162	2.6
199.03914	4.4
199.09625	4.2
213.05586	3.8
218.85672	2.7
265.08594	2.7
281.21332	3.4
297.13278	3.5
299.05530	5.1
321.11261	4.3
325.12866	5.6
337.10684	2.8
353.10202	3.2
367.11719	3.7
547.19336	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	547.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.01863	1.5
55.05515	0.6
57.00895	0.3
57.03429	0.5
65.03935	1.7
68.99797	0.6
69.03434	2.7
69.07075	0.8
70.06586	1.8
71.47965	0.4
71.48380	0.5
72.08157	0.6
77.03909	0.7
79.05489	0.8
81.03419	5.8
81.07043	0.9
83.84106	0.4
84.08156	0.6
85.02922	2.4
85.06528	0.6
86.09684	1.6
89.03904	1.2
91.05486	21.2
93.07042	0.9
95.04987	0.7
95.08609	0.5
97.02911	0.9
97.06542	0.4
99.04471	1.1
101.02406	0.5
103.05463	0.8
105.03392	0.9
105.07029	1.0
107.04948	1.7
107.08586	0.8
109.02890	2.1
109.89851	0.4
111.08098	0.5
119.04949	28.7
119.08520	0.5
120.08090	0.9
121.02892	4.6
121.06522	0.5
123.00792	0.7
123.04424	3.2
125.09638	1.5
127.03895	1.1
129.03365	0.9
131.04930	0.6
132.02071	1.7
133.02879	2.6
133.10120	0.5
135.04393	1.3
135.08041	0.6
136.05164	0.7
137.05965	0.5
141.01843	1.8
145.02840	1.1
147.04416	29.3
149.02353	1.4
151.03929	0.7
157.04018	3.1
161.09676	0.4
164.04665	1.1
165.01831	1.4
167.07037	0.5
173.13052	0.5
175.03918	50.1
176.04262	0.8
179.03406	12.9
179.07005	2.5
190.82196	0.4
192.04115	0.9
193.04936	0.5
197.06100	0.6
207.06538	100.0
225.05507	0.8
225.07492	0.5
243.06662	0.6
299.05518	41.4
306.84760	0.4
351.10809	6.6
369.11780	3.1
386.40689	0.4
529.14972	0.5
547.10931	0.4
547.18341	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01727	0.8
55.01870	4.2
57.03428	1.7
61.02919	1.9
65.03940	2.1
69.03446	1.9
70.06585	3.3
70.99603	0.9
72.08152	1.2
73.02928	1.4
74.04130	0.7
81.03407	1.9
85.02912	5.3
86.09716	2.5
91.05486	2.2
93.03452	1.0
97.02895	1.8
98.21471	0.8
99.89549	0.8
103.03959	1.5
105.06973	1.2
107.04966	4.0
109.02888	3.2
111.04453	1.1
115.05451	1.5
116.96258	0.8
119.04960	11.3
121.02876	48.9
121.06483	1.1
129.07008	1.0
131.04904	2.0
134.05998	0.8
135.04382	1.7
143.04980	1.0
143.43144	0.9
145.02858	6.6
145.06467	1.2
147.04431	2.1
149.06046	1.2
157.06560	1.1
158.60176	0.8
159.04433	3.0
161.02350	2.1
161.06015	1.3
162.03146	0.9
163.03954	2.2
164.07126	2.3
165.01843	1.8
169.06523	1.0
171.04459	2.1
173.02242	0.8
173.06029	1.7
175.03935	3.4
176.00983	1.3
177.01881	7.0
177.05411	1.2
179.03430	2.7
181.09737	1.7
183.04507	1.1
185.05974	1.9
187.03911	6.8
189.01846	11.0
189.05528	1.7
190.02626	1.6
191.03372	4.5
195.02875	7.3
197.06007	1.5
199.03952	3.5
201.01727	1.2
201.05504	3.1
203.03412	27.1
205.05058	4.1
207.02951	5.1
209.06012	1.1
211.03889	2.5
213.02174	0.9
213.05437	2.2
215.03406	10.2
217.04967	7.8
219.02916	3.0
219.06502	1.0
221.04509	5.2
223.03987	1.2
223.07550	1.5
225.05562	2.0
227.03445	4.3
229.04971	5.5
231.02899	3.3
231.06387	1.9
233.04451	5.6
239.03445	1.5
239.07133	1.2
241.04993	3.2
243.02943	4.7
243.06416	1.0
245.04530	3.3
251.07135	2.1
253.04959	2.0
255.02885	4.3
255.06573	2.0
257.04504	1.9
261.04050	1.7
265.04999	0.9
266.05258	0.9
267.03137	1.1
267.06546	2.4
268.07343	4.0
269.04471	3.3
269.08060	0.9
271.06100	1.7
273.03888	2.5
277.08575	1.1
279.06549	6.7
280.07312	1.8
281.05136	1.0
281.07956	4.3
282.05118	1.3
283.05875	7.7
285.04044	1.9
291.06555	1.3
292.07315	3.6
293.04913	1.2
293.08142	8.6
294.05203	7.8
294.08371	1.4
295.06030	96.3
296.06732	6.7
297.04456	1.7
297.07578	7.8
299.05591	4.5
301.08450	1.3
303.06494	0.9
304.07312	1.5
305.08035	4.3
306.08835	1.7
307.06021	56.3
307.09338	2.6
308.06802	23.0
309.04010	2.3
309.07535	20.4
311.05426	1.0
313.07040	1.9
317.08066	5.0
318.08936	1.5
319.05994	4.0
319.09689	2.2
320.06848	7.7
321.07587	62.9
322.04834	1.6
322.08319	13.7
323.05502	2.8
323.09180	9.6
325.07080	69.2
326.07370	1.0
329.08026	3.6
331.06104	1.9
331.09787	1.7
333.07578	35.4
333.11569	1.9
334.08304	3.7
335.05450	3.3
335.09103	23.3
336.06302	4.2
336.09811	1.4
337.07040	29.3
339.08597	2.6
345.07581	8.7
346.08359	3.7
347.05362	0.9
347.09161	15.6
348.06271	1.6
349.07080	64.2
349.10611	3.2
350.07620	2.9
351.08655	37.3
353.06363	2.0
357.07596	1.9
359.09201	6.2
360.06345	1.1
361.07062	32.9
361.10828	2.5
362.07977	1.8
363.04312	1.2
363.08612	21.6
365.10269	6.4
367.08047	6.4
371.09250	1.8
373.07001	12.8
373.11005	1.6
374.07855	2.3
375.04221	1.1
375.08679	19.4
377.06442	2.4
377.10614	4.6
379.08142	100.0
380.08548	2.2
381.09595	0.9
385.06863	4.9
387.08588	8.6
389.05872	1.3
389.10410	6.2
391.08115	37.3
393.09552	2.9
397.09189	57.4
399.08676	2.7
401.10434	4.4
403.08157	23.9
405.09705	12.5
409.09210	52.6
410.09360	1.2
415.10196	17.2
417.09650	5.4
419.11090	3.2
421.09213	14.9
427.10336	49.3
429.09930	4.2
433.09216	32.6
433.15219	1.3
439.10306	14.4
445.09106	13.4
447.10629	1.7
451.10272	41.7
457.11197	26.9
463.10291	11.4
469.11334	48.1
470.11282	1.2
475.10263	16.3
481.11322	50.7
482.12027	1.0
493.11331	33.0
499.12375	34.3
511.12405	60.9
512.12958	1.2
529.13477	49.4
530.13904	1.2
547.14569	24.6
547.22906	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.3
55.05502	10.5
57.03424	3.8
61.02935	6.3
67.05513	43.9
69.07070	11.4
71.48543	4.3
79.05509	24.8
80.05811	2.7
81.03427	3.4
81.07056	52.7
82.07327	2.7
83.08625	6.7
85.02937	6.0
91.03930	5.0
91.05477	19.8
93.07050	30.3
94.07361	3.7
95.08609	43.3
97.02815	3.8
97.10143	4.7
102.22722	2.7
105.07027	13.7
107.08609	25.5
109.10168	26.0
113.17326	2.4
117.07013	6.0
119.08575	9.9
121.10134	27.1
123.11696	17.6
131.08603	13.3
132.15518	2.6
133.10139	11.6
135.11705	16.9
137.13216	4.2
145.10098	9.9
147.11684	9.8
149.13258	18.4
151.14807	5.4
159.11684	14.2
161.13278	8.7
163.14786	12.6
173.13277	17.5
177.16403	4.4
184.07370	8.3
187.14845	8.5
201.16429	4.8
233.22618	3.5
243.21086	34.9
261.22168	100.0
279.23117	6.0
335.16016	2.8
335.25784	25.1
353.26874	25.5
371.46280	2.6
379.32043	3.0
528.37555	4.1
546.38708	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	546.364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72805	3.5
55.05516	6.4
57.03442	3.5
61.02930	11.1
67.05511	47.7
69.07063	10.9
71.05047	2.9
71.38253	6.6
79.05505	29.1
81.03472	3.9
81.07066	59.3
83.08625	8.5
85.02921	11.7
85.06580	3.5
86.09715	8.1
88.19884	3.3
91.03983	3.6
91.05477	20.6
93.07051	42.2
95.08620	44.2
97.06529	4.1
104.10737	15.1
104.19730	3.0
105.07033	16.9
107.08614	20.9
109.10178	29.2
111.36922	3.3
117.06987	4.4
119.08585	15.9
121.10168	29.7
123.11707	14.6
125.00015	4.3
127.03937	4.5
131.08617	20.2
133.10136	9.9
135.11694	23.2
137.13326	5.8
145.10130	14.9
147.11714	11.7
149.13248	19.1
151.14862	3.1
159.11717	13.6
161.13298	8.7
163.14871	12.7
173.13234	17.0
177.16425	7.2
184.07336	18.2
187.14832	8.4
191.14325	4.2
201.16302	4.3
243.21133	38.2
261.22171	100.0
262.22656	3.5
270.15540	3.8
335.25812	12.7
353.26883	32.0
527.67993	3.6
546.35571	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	546.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	6.4
57.03420	4.5
61.96560	2.7
62.06095	20.3
63.07528	2.5
67.05521	15.3
67.68774	2.5
69.07060	11.5
69.45492	20.6
70.06570	4.1
71.04979	2.8
71.08635	7.3
75.05526	2.5
79.05488	10.7
81.07071	19.7
83.08608	9.2
86.09696	4.2
91.05478	11.9
93.07043	12.6
95.08625	17.0
97.06530	4.5
98.98473	39.4
99.08083	7.2
104.50926	3.1
105.07043	16.8
107.08581	13.2
109.06506	13.0
109.10136	5.4
119.08592	34.5
121.10140	6.1
123.08071	18.8
123.11714	5.4
125.09659	3.3
131.08588	6.6
133.10149	17.0
135.08067	16.7
135.11699	3.9
145.10155	9.1
147.11681	9.0
149.09628	4.4
157.10226	3.1
159.11655	5.6
161.09612	3.9
161.13161	2.9
164.79581	2.9
165.12808	4.2
173.02142	8.1
175.14822	12.1
177.12808	7.8
179.14311	41.9
193.15683	2.7
205.15860	6.1
216.06329	7.6
284.52377	2.9
293.21100	3.3
298.11743	2.9
303.26788	4.6
319.22787	5.6
331.26291	56.7
349.27463	4.1
374.30545	11.6
387.28937	7.6
405.29990	86.4
485.20023	4.0
485.26648	59.6
503.27750	100.0
528.30725	11.9
546.31525	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	546.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.4
57.03448	2.0
60.03557	1.1
61.02929	2.7
69.03435	6.6
70.06602	16.2
70.72942	2.6
71.06938	1.6
72.08146	5.3
73.02899	1.9
74.06081	1.7
78.00765	1.2
81.03409	4.0
82.06600	1.4
82.52731	1.4
83.05022	1.3
84.04494	1.9
84.08121	3.5
85.02914	31.2
86.09718	19.1
91.03955	2.5
97.02903	11.3
99.04482	2.6
99.72123	1.3
105.07031	2.4
106.52817	1.1
107.04957	4.2
109.02877	2.9
115.05476	14.4
119.04955	1.3
120.08080	1.6
121.02921	1.3
127.03910	11.5
129.10211	1.7
131.04932	14.4
133.06519	3.4
135.04404	3.7
136.07574	1.6
143.04924	14.0
145.04976	15.8
159.04434	10.1
161.05994	5.4
163.03923	33.0
163.05936	6.1
183.14995	1.5
183.17087	1.2
186.09317	1.5
187.03926	100.0
187.14398	2.8
188.04279	1.6
205.04984	96.2
215.13933	2.7
229.04935	1.9
237.21494	1.3
286.17596	3.2
287.17883	2.6
324.12781	1.4
375.11957	1.5
389.13873	1.4
546.20624	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13396	1.2
53.03942	5.6
55.01867	2.9
55.05512	19.5
57.03429	2.5
57.07074	3.3
65.03947	3.0
67.05508	62.4
69.03423	1.5
69.07076	18.2
71.04987	2.8
76.20337	1.4
76.78204	1.5
79.05500	48.4
81.03403	1.9
81.07059	100.0
83.04986	6.7
83.08618	9.8
85.06539	6.6
91.05487	39.1
93.07047	48.1
93.07642	2.2
95.04963	6.0
95.08611	39.2
97.06532	4.9
97.10175	1.5
98.20706	2.1
99.08115	3.0
101.06049	1.2
105.04495	1.8
105.07038	41.5
107.08607	26.3
109.06501	5.0
109.10160	11.4
111.08086	2.1
117.07008	6.7
119.08584	35.1
121.10144	32.4
121.11029	1.6
123.08084	4.7
123.11710	26.9
125.09651	1.8
131.08574	9.4
133.10138	9.3
135.11725	12.4
137.09628	1.7
137.13275	4.0
137.16733	1.2
145.10120	7.2
147.11694	52.9
148.13597	1.5
149.13257	7.0
149.96442	1.3
157.10133	1.8
159.11719	4.7
161.13318	4.0
163.14850	3.2
165.12755	30.9
173.13293	4.1
178.46501	1.2
183.13806	3.9
187.14746	4.0
207.95836	1.5
229.14355	6.1
235.88371	1.3
243.21103	4.4
257.56857	1.2
261.22144	16.9
267.15921	55.9
285.16971	3.3
317.24673	3.5
317.60989	2.0
397.87991	1.3
439.19501	1.6
453.33667	2.4
471.34937	3.6
527.37231	4.9
545.38361	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	543.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02397	1.3
52.81684	1.0
53.03950	6.9
54.42905	1.1
55.01875	3.9
55.05515	16.1
57.03434	3.6
57.07063	1.9
60.85923	1.1
65.03952	3.1
67.05512	49.5
69.03436	3.4
69.07085	13.9
71.04986	4.3
72.27613	1.2
73.02908	1.1
77.03902	1.1
79.05496	57.5
81.03421	3.0
81.06592	2.6
81.07064	48.4
83.01356	1.2
83.04987	4.5
83.08622	11.1
91.05488	33.1
93.07053	67.2
95.04979	10.6
95.08616	54.3
95.09245	1.3
95.39763	1.1
97.02898	3.6
97.06541	5.5
97.10165	3.3
98.20748	2.7
99.04466	3.1
103.05445	1.7
105.04538	2.3
105.07032	23.3
107.04964	11.0
107.08607	40.1
109.06515	3.4
109.10165	8.9
111.04448	2.3
111.08111	3.3
117.07017	14.3
119.08588	18.7
121.06544	6.3
121.10158	20.6
123.08080	1.1
123.11725	2.8
125.06013	3.4
125.09576	1.1
129.07042	3.3
130.07840	2.4
131.08556	11.7
133.10144	13.9
135.08072	2.7
135.11702	49.0
137.13264	1.4
139.07568	1.6
139.11234	1.5
143.08594	4.5
145.10146	32.1
147.11717	6.4
149.09631	2.4
149.13278	4.6
151.11182	1.1
155.08542	2.1
157.10184	2.0
159.11729	6.1
161.13300	1.9
163.11197	57.8
163.14865	2.3
169.10143	1.2
171.11719	2.8
173.09698	2.0
173.13350	3.4
175.14748	1.2
181.12228	12.9
185.13289	2.3
187.14766	1.9
191.10718	2.3
197.13261	1.3
209.11806	4.5
227.12804	100.0
228.13441	1.5
229.40213	1.6
236.44832	1.1
243.21249	2.2
261.22061	7.5
265.14496	3.1
267.15765	1.2
275.20178	2.1
299.23477	1.6
317.24847	2.4
450.97464	1.3
451.32065	2.8
469.33087	2.4
525.35950	4.7
543.36865	67.7
544.36981	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	543.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.8
51.19156	0.8
53.03946	4.1
55.01863	3.0
55.05515	14.6
57.03427	2.6
57.07075	2.0
58.12305	0.7
65.03928	2.3
67.05510	35.3
69.03404	1.9
69.07076	11.7
71.04986	2.4
71.48876	1.1
73.02934	1.2
79.05498	43.8
80.13811	0.8
81.03429	2.8
81.07063	36.4
83.05006	4.5
83.08624	8.6
85.06543	1.7
87.32469	0.7
89.66190	0.8
91.05487	26.1
93.07051	58.8
95.04973	8.0
95.08610	45.5
97.02904	2.8
97.06522	4.7
97.10161	2.7
99.04457	2.8
103.05471	2.1
105.04520	2.1
105.07040	18.7
107.04961	7.5
107.08604	38.2
109.06530	2.1
109.10161	9.1
111.04457	1.4
111.08069	1.4
113.05995	1.0
115.05404	1.1
117.07021	13.1
119.06045	0.8
119.08585	14.8
121.06512	5.3
121.10155	20.6
123.08083	1.2
123.11739	1.4
125.05975	2.6
129.07004	2.0
130.07787	2.2
131.08583	8.6
133.10130	7.9
135.08046	3.3
135.11703	47.9
139.07625	0.9
143.08620	1.2
145.06445	0.9
145.10136	30.6
147.11676	4.5
149.09619	0.9
149.13269	3.5
159.11714	3.1
161.13220	1.4
163.11191	54.3
169.10153	0.8
173.09628	1.9
173.13300	2.6
175.14906	1.2
181.12248	11.8
187.14832	2.0
191.10707	1.3
209.11778	3.8
227.12793	100.0
243.21118	1.5
261.22202	7.8
265.14240	1.1
275.20163	1.5
277.21652	1.2
317.24649	2.4
442.19855	1.2
469.33722	1.3
525.35614	2.3
543.22809	4.7
543.36816	58.4
544.37415	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02341	0.7
53.03952	4.9
55.01876	3.8
55.05515	15.5
57.03426	2.3
57.07067	1.6
61.24134	0.7
65.03919	2.4
67.05510	37.7
68.54670	0.6
69.03414	2.8
69.06741	0.8
69.07076	10.4
71.04976	2.8
71.08630	1.1
73.02919	0.6
77.03926	0.7
79.05499	45.6
81.03401	2.5
81.07066	36.3
83.04994	3.8
83.08630	9.8
85.06514	0.9
91.04918	0.6
91.05488	24.9
93.07053	58.5
95.04984	8.1
95.08614	45.4
97.02880	3.6
97.06535	3.5
97.10166	1.6
97.89314	0.7
99.04469	3.4
103.05465	1.4
105.04489	2.4
105.07043	17.1
107.04959	7.1
107.08605	39.3
109.06516	2.9
109.10176	7.6
111.08068	1.2
113.05992	0.7
115.05441	0.9
117.07035	11.1
119.06081	0.9
119.08591	15.2
121.06521	5.4
121.10158	21.1
123.08109	0.9
123.11707	2.1
125.05985	2.8
129.06990	2.4
130.07753	2.4
131.08592	7.6
133.10158	6.8
135.08029	2.7
135.11705	47.4
137.13202	0.7
139.07552	1.3
139.27184	0.6
143.08539	2.1
143.67584	0.7
145.10138	28.0
147.11659	2.8
149.13261	4.7
153.12685	0.7
154.02785	0.7
157.10251	0.7
159.11693	3.4
161.13257	2.6
161.99574	0.7
163.11195	55.6
171.11726	0.7
173.09628	1.1
173.13268	2.1
175.14810	0.6
181.12230	12.4
187.14888	0.8
188.51244	0.6
199.66591	0.6
209.10036	0.7
209.11670	3.1
227.12799	100.0
228.13281	1.1
229.35408	0.7
243.21146	2.9
261.22110	6.4
283.15500	1.0
316.84772	0.8
317.24768	2.7
433.51398	0.7
543.36847	50.7
544.37518	1.1
570.82062	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32902	0.9
69.70715	3.2
69.71123	2.6
70.06595	1.5
79.64731	1.2
91.05505	1.5
100.51929	0.9
117.05726	1.1
117.07021	1.2
118.06535	17.0
119.96135	0.9
130.06593	1.1
132.08087	5.9
142.06528	2.1
143.07330	2.3
144.08086	12.3
146.06012	56.2
159.09198	4.7
170.06003	3.4
188.07071	100.0
189.07329	1.6
205.09729	45.9
510.34540	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.8
53.03955	3.6
55.01853	3.1
55.02106	1.0
55.05516	12.8
57.03421	2.6
57.07069	1.7
63.52946	0.7
64.92177	0.6
65.03915	2.1
67.05509	36.6
69.03414	1.8
69.06746	0.8
69.07072	10.6
69.79608	3.0
71.04973	2.7
72.25672	0.7
73.02901	1.3
77.03885	0.7
79.05499	43.3
81.03404	2.7
81.07059	35.3
81.07787	0.8
83.04996	3.7
83.08625	8.3
85.06501	1.1
91.05488	22.7
93.07050	54.6
95.04995	7.0
95.08614	42.0
97.02885	3.9
97.06527	3.1
97.10157	2.0
99.04471	4.1
103.05479	1.0
105.04490	1.7
105.07040	14.6
107.04964	7.5
107.08606	34.7
109.06504	2.6
109.10172	6.3
115.05433	1.4
117.07028	10.9
119.07810	1.1
119.08591	15.0
119.22244	0.7
121.06512	4.8
121.09341	1.2
121.10153	18.8
123.11694	0.9
125.05946	2.4
127.87712	0.7
129.07011	1.0
130.07782	2.3
131.08586	5.3
133.10146	6.3
135.08028	2.2
135.11700	44.9
139.07549	1.6
143.08569	1.4
145.10132	26.2
147.11697	3.4
149.13219	3.0
153.12703	0.9
159.11697	2.5
161.13264	1.9
163.11192	48.9
173.13274	1.7
175.14864	1.5
181.12236	11.7
187.14789	1.1
209.11798	2.1
218.78796	0.7
227.12798	100.0
228.13161	0.7
243.21117	1.3
261.22137	6.3
283.15430	1.1
314.09991	0.7
317.24774	2.7
525.35321	0.7
543.36823	50.2
544.36340	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
70.97642	1.3
70.97955	1.0
104.45275	0.8
119.49160	0.8
181.01776	1.3
262.94196	1.0
363.06973	2.1
381.07944	19.8
425.79538	0.8
543.13257	100.0
544.13611	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.2
69.03432	1.7
70.06595	4.6
71.47792	1.1
71.48165	1.0
72.08176	1.4
84.08147	3.4
85.02898	3.0
86.09714	2.9
86.10504	0.9
89.03916	1.2
97.02872	2.1
97.42833	0.8
98.97593	3.2
101.00896	2.6
103.00605	1.2
110.97552	1.0
112.99182	1.3
117.03384	1.1
119.01925	2.9
121.01684	2.2
127.03887	1.1
130.08679	3.0
131.00166	1.6
131.01910	2.6
132.10291	1.1
133.03503	1.9
135.04420	1.1
143.01924	2.7
145.01688	2.5
145.03532	2.2
147.03276	1.8
151.00783	1.2
153.03917	1.1
155.01929	3.1
157.01695	1.7
157.03513	1.0
159.03282	1.9
161.02951	2.3
163.02719	1.6
163.03932	10.7
171.05081	2.5
173.01375	1.4
173.03032	4.2
173.53035	1.2
175.02774	2.6
181.01808	2.4
185.02974	3.8
186.03238	1.0
187.02733	3.3
189.06114	1.2
194.03511	1.9
197.02989	2.3
199.02728	1.0
203.02170	0.9
203.03935	2.1
203.54138	1.2
205.03856	1.5
210.04837	2.5
217.03893	1.7
219.01787	1.7
221.02971	6.6
221.04826	1.4
231.05402	2.5
232.03595	1.8
233.18904	0.9
245.02924	1.2
245.05121	6.4
246.05278	2.1
247.04785	8.4
279.03809	1.1
291.09503	1.1
303.01959	1.4
319.03067	2.9
321.10364	3.6
337.09515	1.8
351.11426	6.8
363.06729	2.7
367.09454	1.1
381.07950	22.6
402.67599	1.1
543.13257	100.0
543.31219	3.9
544.13794	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.2
55.05508	0.6
56.04790	0.2
56.05035	2.7
57.07064	0.1
60.04522	0.6
65.03928	0.7
67.05505	1.8
68.05043	0.2
69.07063	1.9
69.41545	0.8
69.41949	0.3
70.02930	0.2
70.06597	1.0
72.08118	0.2
74.21634	0.1
77.03917	0.2
82.06573	2.2
84.08142	87.6
85.06525	0.7
85.08477	0.2
86.09733	0.1
88.03998	0.4
91.05478	20.2
93.07043	0.3
94.06567	0.7
95.04980	0.5
96.08135	0.4
97.03975	0.2
98.06039	0.3
99.01939	1.3
99.09194	0.3
100.07608	0.6
101.10774	2.0
102.09185	0.4
103.05468	3.3
105.03400	1.2
106.05021	0.4
106.06579	0.4
107.04965	1.7
110.06039	2.4
111.09205	3.3
112.07606	1.4
115.05492	0.1
117.05771	1.7
118.06541	58.9
119.04953	3.2
119.07339	5.8
120.08104	14.0
121.06500	2.2
121.07459	0.2
123.09187	0.4
125.10757	0.1
127.08684	2.7
128.07117	0.3
129.10240	35.0
130.06523	0.6
131.04947	1.3
134.06018	0.3
135.06802	3.2
135.09210	0.2
136.07579	20.9
138.10266	0.2
139.08679	1.2
143.07300	0.2
145.07555	0.3
146.06006	100.0
147.04408	0.4
147.06424	0.4
147.09116	0.4
148.07582	0.3
149.07137	0.2
150.09152	0.5
151.08681	1.1
152.07069	0.2
153.06592	0.3
154.09767	0.4
155.08151	13.5
160.07571	0.2
162.05499	1.2
163.08661	1.5
169.09866	0.2
172.11209	0.3
173.07144	0.2
174.05504	0.4
179.08275	0.6
182.08093	0.2
182.09628	0.2
184.11232	0.4
186.12782	0.4
191.08612	0.2
194.09396	0.2
200.10771	0.4
201.13895	0.5
202.12233	1.3
207.08086	0.4
211.12424	0.1
212.10706	0.4
213.13805	0.3
217.13376	1.5
218.09731	0.2
219.08110	0.2
219.15036	0.2
224.09059	0.3
229.13367	2.2
229.88818	0.1
230.11725	0.2
230.16519	0.2
231.15002	0.3
236.10703	2.9
239.11829	0.3
245.12888	0.9
246.16080	0.4
247.14413	1.6
251.10364	0.6
252.08679	0.2
253.13327	1.0
255.11403	0.2
256.14532	0.9
257.12888	2.4
264.17145	0.4
269.11282	3.2
272.14023	0.3
273.12292	1.6
274.15494	21.4
275.13809	0.3
281.12595	0.2
282.11127	0.4
290.14990	12.3
292.16437	1.4
299.14038	0.2
300.13525	0.6
302.15173	0.3
304.16632	0.3
314.15051	0.3
318.14490	0.9
332.16061	0.2
336.15479	0.7
347.17432	0.2
359.16791	0.2
364.20227	0.4
374.18549	0.3
375.16965	0.2
379.19684	0.6
380.18375	0.3
387.16519	0.5
392.19733	0.9
393.22797	0.2
397.20795	6.4
405.17673	0.6
409.22333	7.0
419.20706	1.7
420.19211	0.7
423.18796	2.5
437.21851	16.8
438.22327	0.3
455.22760	1.1
497.23840	0.7
514.26660	0.5
524.25024	5.1
525.23474	1.0
542.26111	53.7
543.26764	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
69.05202	0.4
70.38948	1.6
72.66127	0.4
79.05457	0.8
85.02924	0.8
91.05479	1.7
93.07041	1.5
94.30542	0.4
103.05468	7.4
107.04283	0.5
107.04961	2.4
119.04950	1.6
120.08108	100.0
121.08414	1.3
131.04933	2.2
135.04404	0.9
136.06236	0.7
137.05975	1.1
147.04462	2.1
149.06024	1.9
151.07631	0.4
163.03931	1.0
166.08641	51.3
167.07042	1.2
167.09076	0.5
179.06990	3.0
314.06714	0.4
339.17084	0.5
521.98297	0.6
555.32983	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	6.5
57.07079	31.1
63.55720	3.8
67.05505	13.8
69.07070	9.4
70.06590	13.6
71.08630	16.3
71.25530	3.7
71.48552	5.2
79.05505	5.8
81.07060	30.5
82.63245	4.1
83.08629	3.8
85.10181	7.4
88.07640	19.7
89.06034	6.5
91.05485	4.9
95.08606	12.8
102.09168	10.3
105.07042	10.4
105.50141	3.5
109.10171	5.3
119.08566	7.8
121.10166	8.2
123.11700	8.7
147.11699	11.6
165.12770	6.3
256.26398	17.8
257.26727	18.4
267.15891	12.2
283.26419	6.5
284.29507	6.2
285.17007	7.4
285.29819	5.6
311.29489	18.9
312.29855	21.6
313.27509	20.2
322.28238	5.6
397.54007	4.1
523.40039	14.3
536.76819	4.5
541.39508	8.7
541.53931	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	539.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.6
67.05510	1.9
69.07060	0.6
69.57138	0.9
69.57553	2.1
69.92137	0.4
79.05488	0.9
81.07055	1.7
83.08587	0.4
91.05479	0.9
93.07048	1.2
95.08620	1.1
98.21568	0.5
100.54029	0.4
105.06999	0.9
107.08604	0.6
117.07004	0.6
119.08559	0.5
121.10130	0.5
123.11687	0.4
133.10129	0.5
139.52649	0.4
143.08553	0.7
153.57231	0.4
155.08511	0.5
169.10152	0.8
181.10072	0.4
197.13370	0.8
203.05417	0.9
249.95105	0.5
259.07855	0.6
310.88858	0.4
335.23703	0.5
354.66284	0.4
447.32861	1.0
539.31879	100.0
540.32092	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	539.3431
Annotation	Virenamide A
Peak:m/z	Relative Intensity
51.11312	9.1
55.05519	22.8
67.05508	18.5
69.03431	24.4
69.07071	36.6
70.06600	18.4
71.02578	18.9
71.02901	10.8
71.05003	9.9
72.50259	8.3
79.05504	20.3
81.03436	12.4
81.07062	85.3
85.02900	31.5
85.06559	10.3
85.75170	8.2
87.00828	11.5
91.05488	16.5
93.07040	36.7
95.08623	65.9
97.02866	11.0
97.06585	13.2
97.10184	11.2
105.07052	22.3
107.08587	31.7
109.10179	34.6
111.08114	10.7
115.10671	8.5
119.08572	11.3
121.10166	16.4
123.11705	25.7
125.09643	20.5
127.03929	12.3
133.10179	17.2
135.11705	8.6
137.13312	15.9
139.11185	13.8
145.10143	10.2
149.13286	32.2
157.12343	9.2
159.11591	8.2
163.14815	13.2
171.90912	7.9
173.13278	10.0
175.03918	59.3
187.13419	11.1
231.10225	100.0
234.67110	10.9
277.25525	12.4
285.69156	9.5
293.25037	9.2
295.10046	8.1
305.24728	33.2
323.25897	21.8
501.77191	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	540.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90005	0.9
61.02896	1.1
65.03930	1.2
66.11714	0.8
67.05507	1.1
67.46350	0.8
69.03427	2.3
69.07053	0.8
70.06608	4.8
70.28529	3.0
71.44279	1.0
72.08145	2.1
74.48920	0.9
79.05486	1.2
81.03412	1.6
81.07056	0.9
84.08155	0.9
85.02914	6.3
86.09693	2.0
91.05495	10.4
94.04166	1.0
95.04992	2.3
97.02893	1.3
102.50430	0.8
103.05442	1.6
105.07018	2.4
107.04932	2.1
109.06509	2.8
111.04375	1.1
117.06977	1.5
119.04959	7.7
120.08111	1.0
121.06507	3.6
122.03646	2.6
129.06996	6.8
131.04942	2.5
131.08578	3.4
133.06459	1.5
135.08054	2.6
136.05135	1.1
137.05980	40.7
138.06311	1.6
141.06990	1.9
145.05057	1.1
145.06465	2.0
147.07957	0.8
149.05994	7.6
151.03905	1.8
151.07552	58.4
157.06491	7.2
158.07275	2.0
159.08054	3.0
161.05946	4.8
161.09604	2.2
163.07544	12.0
165.06996	1.2
165.09125	3.3
167.07329	0.9
167.08582	5.8
169.06496	1.7
174.06750	7.8
175.07581	5.6
177.09117	3.2
178.07761	1.9
181.06509	1.2
189.09116	30.3
191.10730	1.4
193.06529	2.7
193.10109	2.8
194.07198	1.1
195.08109	9.3
197.05969	1.3
201.09163	3.1
207.08310	1.1
207.10202	3.4
209.09682	1.7
210.06796	1.5
212.08293	2.7
219.10181	38.5
219.12299	1.9
221.05989	3.8
221.09616	3.4
223.07529	4.9
224.08356	1.8
225.09003	4.8
227.07179	0.9
227.10672	17.3
237.08963	1.7
238.06316	0.9
239.10921	1.1
240.07706	1.0
249.09047	3.3
251.06927	1.1
251.10857	1.0
252.07953	1.1
253.08647	6.8
253.12282	7.6
255.06433	0.9
255.07364	1.2
255.10179	18.0
267.10135	3.3
269.08102	2.6
269.11673	1.4
272.10309	1.0
281.11801	3.6
285.11255	10.5
287.12811	32.3
299.12924	1.8
301.14481	1.2
311.13254	0.8
313.14362	31.4
331.15414	100.0
343.14685	1.0
360.62744	0.9
540.30542	0.9
564.49860	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	13.4
55.01858	22.7
55.05519	21.0
57.03436	17.7
57.06800	5.3
57.07080	88.9
61.02929	7.6
67.05510	34.0
69.03435	52.6
69.07054	17.0
71.04971	9.5
71.08636	57.0
71.49025	4.6
73.02927	51.3
73.28432	4.3
75.04482	4.4
75.37925	4.4
78.30479	3.9
79.05496	6.1
81.03435	44.1
81.07057	48.9
83.04987	12.2
83.08636	33.3
85.02927	36.2
85.10188	34.4
85.20234	4.5
88.98780	4.4
89.06034	4.6
91.05479	8.9
93.07051	8.9
95.08620	55.7
96.10883	4.3
97.02902	12.9
97.10176	17.2
99.04463	25.5
103.03951	6.8
106.14668	5.1
109.02892	81.8
109.10168	29.6
109.33271	3.9
110.03677	10.9
111.04454	64.6
121.10110	5.5
123.11723	19.8
125.13367	9.3
127.03931	40.1
129.32335	4.4
132.99535	22.5
135.11732	5.1
136.99055	6.6
137.13280	9.2
151.00589	5.9
158.16219	4.2
172.99071	6.2
191.00079	50.2
209.01129	16.7
209.11798	4.7
221.22676	5.0
227.12715	6.5
239.23744	100.0
257.24786	18.4
283.15561	4.4
313.27399	59.5
381.76770	4.5
477.48654	4.2
539.21033	7.7
539.28772	69.7
539.37262	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	539.2657
Annotation	Okaramine P
Peak:m/z	Relative Intensity
55.05509	0.4
56.08948	0.3
57.03476	0.3
57.07061	0.6
64.97138	0.3
67.05502	0.7
69.07053	0.4
70.61597	0.8
71.05006	0.5
71.08627	0.4
81.07054	0.7
88.99368	0.3
89.06042	0.3
93.07088	0.4
94.54572	0.3
95.08611	0.4
97.10133	0.3
105.07085	0.4
109.10182	0.5
134.61697	0.3
146.29099	0.3
165.13869	0.4
183.40851	0.3
208.09990	0.3
247.04535	0.3
302.72491	0.3
310.41064	0.3
363.16086	0.8
377.17523	2.0
378.18393	2.8
379.19223	1.8
389.18314	0.4
391.19098	2.8
392.19864	3.4
393.20737	8.4
394.21432	0.5
405.20874	1.5
406.21609	1.6
407.16971	0.4
407.22336	10.5
408.22418	0.4
421.17047	0.9
421.23907	5.0
422.17404	1.7
423.18246	2.4
428.65250	0.4
433.20255	1.0
436.19028	1.7
437.19827	8.4
438.20496	0.6
447.21716	0.5
448.22635	1.3
449.19907	0.3
450.20593	0.7
451.21323	15.5
452.21725	0.7
465.22800	2.2
466.23584	2.0
477.26495	2.2
479.24405	1.0
480.25375	0.5
488.22238	0.3
494.26804	0.9
495.20416	0.7
495.27448	5.5
495.39355	0.4
503.24335	1.8
509.22104	0.8
510.22733	3.8
521.25610	1.6
524.24042	1.2
539.26569	100.0
540.26794	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	538.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.6
55.01858	1.7
55.05510	0.9
57.03442	1.0
58.88147	0.8
61.02917	0.7
65.59856	0.7
67.05502	1.0
69.03431	4.3
69.07066	1.2
70.06603	7.9
71.48820	1.3
72.08141	2.9
74.06069	0.7
79.05492	2.3
81.03425	3.5
81.07067	1.6
84.04504	0.9
84.08137	2.4
85.02906	9.0
85.06499	0.8
86.09702	6.4
87.00840	1.5
91.05479	4.1
93.07022	1.9
94.04187	1.9
95.04961	2.3
95.08586	0.8
97.02879	2.1
99.04463	1.2
103.05457	2.7
105.07037	7.1
107.04961	1.7
107.08588	1.6
109.02874	1.9
109.06526	2.4
110.03204	0.7
111.04459	1.3
111.59480	0.7
115.05471	2.5
117.07024	2.4
119.04921	1.0
119.08582	1.7
120.08121	3.5
121.06503	1.4
121.10146	1.2
122.03643	6.2
125.09673	0.9
127.03920	3.2
129.07027	1.7
129.10242	1.8
131.04951	2.0
131.08591	1.1
132.05684	2.0
133.06511	4.3
133.10156	0.9
137.05983	100.0
138.06335	1.6
145.04962	1.4
145.06462	2.2
145.10109	1.4
146.03598	1.1
147.04434	2.1
147.08047	2.7
149.05972	5.5
149.09583	0.9
151.03902	1.8
151.07591	1.0
151.11139	1.0
157.10088	1.1
159.02917	1.0
159.08087	2.7
160.05226	2.1
161.05980	16.8
162.06764	2.6
163.07513	1.5
169.10176	0.7
172.05142	0.9
175.07550	27.2
177.09085	1.1
179.07047	1.4
185.09569	1.0
187.07576	7.2
190.07797	0.8
191.08588	5.1
193.08662	4.6
199.07574	2.5
202.07901	1.3
203.08623	1.3
205.08572	3.8
207.08031	1.2
217.08655	1.6
218.07262	1.5
219.07986	7.8
231.08102	2.0
241.15857	2.1
242.16182	2.6
247.07652	3.3
248.08353	2.2
251.10710	9.8
254.16208	0.9
259.07611	1.0
263.10614	1.1
271.17093	1.6
272.17267	2.0
277.08752	1.2
279.10187	9.4
290.18320	1.1
291.10242	4.4
292.10840	1.0
309.11221	1.2
311.12778	30.2
323.12796	11.2
329.13922	5.6
341.13864	8.4
355.45587	0.9
391.25723	1.1
406.68524	0.7
457.30182	2.4
475.31302	12.1
480.44568	0.9
538.31189	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43754	0.9
50.94262	1.0
53.03928	2.0
55.01871	2.1
55.05498	2.1
57.07071	0.8
58.55049	0.9
58.99579	2.1
60.69687	0.8
64.16509	0.8
67.05508	5.8
69.03426	5.9
69.07069	7.0
69.07828	1.0
69.55309	2.3
69.55719	3.1
70.02956	0.9
70.06596	9.5
70.15440	0.7
71.05007	6.0
72.08150	2.8
73.02910	1.4
73.06549	4.5
74.06085	1.5
76.02219	2.4
79.05495	4.4
81.03418	6.5
81.07052	6.6
82.20145	0.9
83.04997	0.9
84.04512	2.0
84.08150	2.2
85.02910	10.4
86.09705	8.7
86.34823	0.9
87.00851	4.3
89.06027	3.2
91.05486	2.3
93.07044	1.8
95.04974	6.9
95.08591	2.0
97.02890	4.0
97.06535	100.0
99.04447	1.9
100.02240	2.1
105.00115	1.6
105.01871	2.4
105.07050	1.6
107.08585	1.6
108.04479	1.1
109.02882	3.7
109.06556	2.3
109.10160	3.4
110.07185	4.8
111.08084	1.2
120.08096	3.9
121.06544	1.6
121.10147	1.8
122.02735	15.0
123.11723	7.1
125.09626	5.4
126.05535	0.9
127.03944	7.0
129.01848	1.3
129.10202	1.2
131.08626	1.1
133.10144	3.4
136.07599	1.8
137.05997	3.4
138.06352	1.2
140.01654	1.4
145.04993	1.9
146.02693	2.0
151.11206	12.2
159.02890	2.8
164.03790	1.7
169.12242	41.7
173.13173	1.1
188.03969	0.8
195.08791	2.5
212.03764	3.5
237.14896	0.9
255.15919	1.0
272.13187	1.8
290.14233	30.0
294.15747	1.2
296.60739	1.0
310.08948	0.9
316.04501	1.7
334.05725	1.4
336.66245	0.9
375.28748	0.9
467.06259	0.9
477.67676	1.0
512.65472	1.2
538.33392	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.1
55.05499	0.5
59.04966	0.2
60.04520	0.3
65.03944	0.3
65.04742	0.3
67.05503	0.7
68.99796	0.3
69.03423	0.5
70.06590	2.0
71.47192	0.2
71.47559	0.3
72.08141	0.7
74.06088	0.3
81.03412	0.7
81.07051	0.7
82.61098	0.2
83.04998	0.5
83.06104	0.3
84.04498	0.8
84.08153	1.8
85.02928	1.1
86.09705	1.4
88.03982	0.4
90.77335	0.2
93.07043	0.4
95.04974	1.4
96.38777	0.2
97.02914	0.5
107.77893	0.2
109.02898	0.4
109.06472	0.3
109.10153	0.5
110.07170	0.6
112.09754	0.2
119.04910	0.3
120.08096	0.8
121.02876	0.5
122.02682	0.3
123.00777	1.1
123.04436	0.5
123.11685	0.5
127.03950	0.5
128.05360	0.3
129.10229	1.0
136.07590	1.5
137.02353	5.8
137.03357	0.3
141.01828	2.6
149.02325	0.2
151.11200	2.1
159.02951	0.3
163.03925	1.8
164.06915	0.2
164.98755	0.2
165.01843	2.7
169.12219	0.4
171.04440	0.4
174.05864	1.3
183.02928	1.5
185.05800	0.3
187.03877	0.9
189.05403	0.3
191.03572	0.3
201.13188	0.2
213.05502	1.3
213.12564	0.3
217.04955	0.8
241.04964	1.4
259.06039	0.8
272.13150	0.5
274.05942	0.2
274.77948	0.2
287.05612	0.4
290.14185	0.5
301.05972	0.2
315.04987	100.0
316.05368	2.0
326.71399	0.2
477.09988	1.5
538.19427	0.6
538.28107	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.7
55.01861	4.1
55.05500	4.2
57.03436	3.0
57.07064	1.3
61.02932	1.9
66.34876	1.1
67.05503	5.3
68.99788	3.2
69.03435	17.8
69.07059	5.8
69.58723	2.6
69.59112	7.9
70.03779	1.5
70.06603	8.0
71.04980	4.4
72.08166	3.4
73.02923	2.0
74.02457	1.3
74.06084	1.6
79.05477	6.1
81.03419	13.3
81.07065	19.8
82.03732	3.4
82.07402	1.5
83.04971	2.1
83.08607	2.0
84.04512	2.1
84.08140	3.3
85.02911	19.9
85.06525	3.1
86.03233	3.9
86.09710	33.3
87.00840	12.0
87.10039	7.7
88.01157	1.7
91.05475	6.9
93.07060	9.5
95.04970	3.1
95.08615	15.9
97.02890	12.0
97.06532	1.8
97.10149	1.7
98.03189	2.4
98.20827	2.9
99.04430	4.9
99.08090	1.7
103.05458	3.5
105.01873	3.8
105.07029	6.6
106.02222	1.6
107.04945	2.0
107.08614	7.0
109.02883	10.5
109.06493	2.1
109.10173	8.7
110.03229	1.6
111.00848	1.7
111.08093	2.8
115.05464	1.7
119.04915	2.7
119.08572	4.5
120.08127	26.2
121.02900	7.1
121.08443	11.0
121.10139	5.9
122.03125	1.8
123.08087	2.3
123.11678	3.3
125.06023	1.7
125.09660	12.5
125.45576	1.3
126.05554	2.6
127.03916	14.1
128.04254	5.2
128.06255	1.5
129.04398	2.2
129.10239	2.0
131.04918	3.1
131.08585	2.3
133.02818	2.7
133.06139	3.7
133.10172	6.1
135.08049	2.1
135.11697	3.7
137.05994	16.5
137.09554	2.4
137.13242	2.8
145.04941	4.1
145.06497	1.6
145.10143	2.8
147.04373	1.8
147.11639	2.5
149.09610	2.1
149.13287	3.3
151.07520	2.1
153.01857	8.5
153.09093	1.9
154.02171	1.8
159.02882	4.0
159.11722	1.5
160.03293	1.3
161.05969	3.7
161.13255	1.7
163.07593	1.4
163.11252	1.6
165.01868	2.5
167.10695	2.0
169.10008	1.2
175.07550	1.7
181.05118	1.5
183.02913	1.7
187.07611	3.0
187.14775	2.0
189.09253	1.7
189.16490	1.9
213.05597	1.7
235.16966	2.7
239.13965	9.0
240.14169	5.2
251.10388	1.3
253.18013	3.1
257.14938	2.3
257.22568	2.2
258.04980	1.6
258.15164	2.7
259.05756	1.4
260.05920	1.8
262.16290	1.7
271.19073	1.5
275.24072	1.3
277.08640	2.0
280.12933	2.4
281.13168	1.9
287.02197	2.5
287.05515	89.0
288.05865	73.6
289.06073	100.0
290.06229	2.5
299.06021	1.9
303.23132	1.7
321.24243	4.6
339.25296	4.7
343.13266	1.4
448.15094	1.3
505.17432	1.8
537.18665	2.4
537.30121	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	537.291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	11.8
55.01862	12.9
55.05505	22.4
57.03433	8.9
57.07061	6.8
65.03949	8.6
67.05511	69.0
69.03436	27.0
69.07069	30.3
70.06590	23.1
71.04987	20.9
71.27523	13.2
72.08150	10.6
74.63294	5.0
79.05493	57.2
81.03432	28.8
81.07056	100.0
83.04977	12.7
83.08623	16.5
84.08151	11.3
85.02914	49.1
85.06553	26.0
86.09704	13.6
87.00840	20.7
91.05488	48.8
93.07053	68.5
95.05000	14.4
95.08621	99.8
97.02888	17.6
97.06529	21.7
97.10190	6.3
99.04466	7.7
99.08093	9.5
100.11247	10.7
101.06003	11.5
103.05476	15.4
103.25867	4.9
105.01877	12.7
105.07035	49.3
107.04959	10.9
107.08595	52.3
108.04485	6.2
109.02887	17.2
109.06499	13.2
109.10166	52.6
111.08091	15.0
115.05446	7.4
117.81390	5.2
119.04934	7.3
119.08620	33.8
120.08059	10.0
121.06580	6.8
121.10163	70.3
123.08044	7.1
123.11687	22.9
125.09632	20.9
127.03946	36.1
131.04950	26.1
131.08578	14.7
133.06494	9.5
133.10141	37.0
135.04445	8.6
135.08066	13.2
135.11699	79.9
136.07643	5.8
137.02399	6.3
137.05983	61.8
137.09630	7.3
139.11212	7.1
143.08586	5.9
145.04997	8.5
145.10117	15.0
147.07872	5.4
147.11662	29.2
149.09604	9.2
149.13293	26.3
151.07607	7.3
151.11163	10.1
153.09077	7.3
157.10197	6.8
159.02875	6.6
159.11682	12.4
161.06017	13.3
161.09642	5.6
161.13306	34.8
163.07556	16.7
163.14850	8.8
164.49805	5.1
167.07043	14.8
173.13232	9.7
175.11302	5.7
175.14801	14.2
177.05518	8.7
187.07576	9.6
195.06535	6.5
199.07549	6.7
217.19542	38.4
235.20598	21.5
253.08691	8.6
253.18007	8.0
253.21645	50.1
271.22690	62.4
289.23715	7.8
303.23294	11.2
321.23950	9.4
537.22906	20.8
537.31329	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	537.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	14.3
55.01864	10.5
55.05503	7.6
57.03428	10.4
61.02931	6.5
64.53237	2.8
67.05514	12.7
68.99784	6.7
69.03090	4.7
69.03438	68.0
69.07058	13.4
70.06595	33.9
71.04987	8.3
71.47691	5.1
72.08147	10.8
73.02913	10.3
79.05492	10.0
81.03423	70.4
81.07068	17.4
83.04977	11.7
83.08650	3.3
84.04493	9.2
84.08131	8.8
85.02910	78.3
85.06526	15.4
86.09714	20.5
87.00829	36.9
87.04475	3.3
91.03955	4.4
91.05484	21.0
93.07054	20.9
93.76663	2.6
95.04972	46.6
95.08611	11.3
97.02890	39.6
97.06544	7.6
99.04453	18.0
102.05534	2.7
103.03964	4.3
103.05465	6.0
105.01855	13.9
105.07056	22.5
107.04952	7.1
107.08591	15.8
109.02882	47.2
109.06525	23.9
109.10168	13.5
111.04446	14.2
111.08092	8.5
115.03996	3.0
115.05392	3.7
117.01861	5.4
117.07032	6.6
119.08582	27.1
120.08103	11.7
121.06531	25.4
121.10146	22.2
123.08070	5.6
123.11727	6.8
125.06009	11.9
125.09647	10.9
126.05521	2.8
127.03928	68.6
129.01834	6.1
129.07008	7.8
129.10252	4.3
130.04979	2.9
131.08572	20.5
133.06557	4.6
133.10143	16.9
135.08055	8.8
135.11670	4.7
136.07590	3.7
137.06021	23.6
137.09618	9.2
139.07539	5.9
141.06949	2.8
142.07750	8.2
143.08551	13.2
145.04964	21.3
145.06442	5.3
145.10117	22.6
147.07973	9.8
147.11691	11.8
149.05997	6.1
149.09642	4.6
151.03914	4.4
151.07542	10.6
151.11156	9.7
155.08562	6.4
156.09315	6.3
157.06564	3.1
157.10117	34.7
158.10829	2.6
159.02876	24.9
159.08070	7.1
159.11722	12.3
161.05930	6.7
161.09584	5.2
161.13315	3.4
165.07272	3.9
167.08540	6.4
169.10159	20.5
170.10973	3.2
171.08037	6.4
171.11703	14.0
172.08760	3.5
173.09628	10.7
173.13272	27.8
175.11174	5.2
175.14725	3.3
177.09088	6.1
179.08679	3.9
181.06610	3.7
181.10214	15.0
182.10820	3.5
183.11690	9.8
185.09647	28.6
185.13275	3.8
187.07504	4.2
187.11232	14.9
187.14857	7.4
189.09103	4.2
193.10100	7.5
195.08136	2.8
195.10117	4.8
195.11728	5.6
197.09631	10.6
197.13182	7.8
199.11203	9.1
201.12721	5.3
208.12395	3.6
209.13443	3.1
211.11197	11.3
211.14839	12.3
212.11972	2.9
213.03912	4.6
213.12788	5.1
213.16437	6.4
215.10612	13.3
223.11076	5.2
223.14825	11.0
225.12668	6.0
225.16408	10.9
229.15800	4.4
231.04967	15.4
235.14799	3.7
235.16965	4.3
237.16585	3.0
238.13635	3.1
241.15887	100.0
243.38113	2.8
253.15936	22.9
253.18132	4.3
265.74402	2.9
271.16919	79.3
289.06955	2.9
289.11597	3.4
289.17798	19.7
295.16852	3.3
300.18579	3.6
311.12790	3.7
321.24292	3.3
386.06183	2.6
519.22040	7.8
537.22693	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	536.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17722	7.8
55.05516	54.8
57.03436	11.7
57.07065	31.4
57.16533	8.3
60.04516	7.9
62.82035	8.0
64.85207	9.6
67.05508	64.2
69.07079	68.9
69.21040	42.4
69.21468	37.9
71.08615	18.2
73.04733	10.8
79.05485	28.4
79.47531	9.3
81.07063	75.9
83.08614	44.5
85.10193	11.6
86.49635	8.7
91.05787	15.7
93.07043	40.7
95.08604	81.9
97.10169	45.2
105.07100	9.4
107.08586	26.3
109.10174	43.3
111.08114	9.1
111.11716	17.6
121.10167	54.7
123.11724	11.1
135.11702	36.5
139.11227	10.0
142.02649	11.6
149.13266	12.3
163.14722	11.5
167.05560	25.9
185.26736	9.3
194.21437	9.2
225.04329	10.8
227.71342	8.7
239.09450	9.5
247.24191	40.5
265.25266	98.3
299.06140	53.2
339.29007	100.0
357.29874	16.8
377.37646	15.3
395.38580	39.7
415.03458	11.3
536.24121	12.7
536.33997	12.0
536.50159	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	535.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57426	0.7
57.91193	0.7
60.83748	0.7
66.51641	0.7
67.05505	1.3
71.09410	1.6
81.07043	1.0
83.72111	0.7
93.07050	0.8
102.79981	0.8
116.98434	0.7
140.10649	0.7
186.76729	0.7
242.77063	0.8
287.05472	2.4
329.18033	0.8
434.28647	0.7
491.29523	4.0
535.28815	100.0
536.28918	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.4149
Annotation	Toxicol B
Peak:m/z	Relative Intensity
53.03948	1.5
55.01873	0.8
55.05266	1.2
55.05513	13.2
57.03430	1.2
57.07061	1.4
59.04987	1.0
65.03941	1.3
67.05507	23.3
67.27548	0.7
69.03425	0.9
69.07076	9.4
69.18824	6.6
71.05009	1.0
74.69293	0.7
79.05499	11.0
81.07060	23.1
83.04990	0.9
83.08629	5.5
85.06525	1.5
91.05476	7.2
93.07048	9.5
93.80990	0.6
95.04967	1.2
95.08614	18.5
97.06532	1.1
97.10184	4.0
99.67404	0.6
105.07027	7.0
107.08602	7.2
109.06533	0.7
109.10165	12.9
115.05470	1.1
117.06347	0.7
117.07040	4.5
119.08591	9.1
121.10165	5.3
123.08047	1.0
123.11718	3.6
125.09677	1.8
128.06180	1.9
129.07004	8.2
131.08566	8.9
132.08815	0.6
133.10155	7.2
135.11742	3.2
137.09853	0.7
137.13289	1.0
141.06979	6.0
142.07777	2.6
143.08545	11.1
145.10126	8.7
147.11700	4.8
149.13283	1.7
153.07025	2.4
154.07777	2.0
155.08565	18.4
156.09396	1.4
157.10152	10.1
159.11716	6.8
161.13252	1.4
163.14828	1.2
165.07034	2.7
166.07767	1.5
167.08559	8.5
168.09378	3.1
169.10133	23.7
170.10945	0.6
171.11685	10.4
173.13281	3.0
175.14859	1.0
178.07800	1.1
179.08560	4.4
179.89085	0.6
180.09406	1.5
181.10135	13.3
182.10939	2.3
183.11707	23.3
185.09735	0.9
185.13283	8.8
187.14832	2.5
193.10165	4.1
194.10886	1.0
195.11694	15.7
195.13448	1.2
196.12579	1.4
197.13277	16.8
199.14821	4.7
201.16426	1.1
205.10155	1.9
207.11711	5.2
209.13268	14.3
210.14063	1.3
211.14867	10.9
213.16475	2.0
219.11708	1.3
221.13290	4.8
223.14841	11.4
223.16902	0.6
224.15714	0.8
225.16440	10.6
227.17917	1.6
233.13242	1.5
235.14902	3.7
237.16393	6.6
239.17924	5.5
247.14877	0.9
249.16411	3.2
251.17911	4.1
253.19502	4.5
263.17981	2.9
265.19547	2.7
267.21207	2.4
275.17966	0.9
277.19653	1.7
279.21063	1.8
281.22571	1.6
283.17221	0.9
283.20511	0.9
287.05573	1.6
289.19397	1.1
291.17987	0.8
291.20996	1.6
293.19128	0.9
293.22537	0.8
297.22052	1.4
305.22510	1.5
307.20551	1.4
309.22253	1.3
311.20190	1.6
311.23685	1.0
319.24246	1.2
321.22061	3.8
321.86856	0.8
323.23767	2.4
333.22214	0.9
335.23676	3.4
337.21658	0.9
337.25360	2.6
339.23276	2.5
347.23730	0.9
347.27765	1.0
349.25363	2.7
351.26837	2.5
353.24808	1.5
361.25055	0.9
363.26868	2.3
365.28519	2.1
367.26437	2.0
375.30865	1.0
377.28333	1.8
379.30048	2.0
381.27814	1.9
391.29907	2.8
393.31900	1.6
395.29465	2.0
405.31720	1.8
407.29199	0.9
409.31152	3.2
421.30948	1.4
423.32782	2.6
429.25885	0.7
429.31772	1.9
437.34457	1.1
447.32538	8.2
461.34338	1.7
465.33780	1.7
475.35895	1.6
479.35315	0.9
499.39481	8.6
500.31775	0.7
517.40454	67.6
518.40747	2.6
535.28473	3.5
535.41510	100.0
536.41931	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	535.2886
Annotation	Withangulatin C
Peak:m/z	Relative Intensity
50.65648	0.6
55.05514	1.2
61.34954	0.7
62.35318	0.7
67.05495	2.6
69.07056	0.9
71.48492	0.9
72.36376	0.8
79.05511	1.6
81.07072	5.7
86.09732	0.7
91.05492	2.1
93.07053	1.3
95.08600	1.7
105.07030	2.7
107.08624	1.1
119.08611	1.6
121.10172	1.9
123.11729	2.3
147.11688	5.1
153.21716	0.8
162.68848	0.8
165.12755	1.5
208.13805	0.8
239.11539	0.7
251.12619	7.9
285.17007	1.6
287.05582	2.0
299.05957	1.2
307.15179	8.5
491.29730	3.5
517.26831	0.9
535.28845	100.0
536.28912	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.9
55.05502	9.1
57.07075	58.1
57.55967	6.1
64.16256	5.5
67.05489	17.0
69.03429	20.6
69.07059	13.5
70.06593	14.3
71.48067	7.5
77.62463	5.8
79.05502	15.0
81.03408	18.0
81.07056	30.1
83.04959	7.4
84.08157	6.9
85.02897	24.9
85.06542	56.4
86.09694	6.4
91.05473	21.4
93.07040	17.0
95.04968	8.1
95.08627	19.3
97.02894	12.0
97.06559	7.6
103.05477	6.2
105.07019	24.5
107.08574	18.9
109.02851	14.2
109.10165	11.3
119.08585	12.2
120.08064	10.2
121.10123	13.8
123.08067	6.1
125.09617	6.5
127.03918	11.2
129.06949	6.3
131.04932	20.5
131.08551	8.3
133.10136	16.4
135.08063	7.3
137.05952	7.9
143.08557	11.2
145.10136	16.3
147.04387	19.9
147.11703	11.5
149.13153	7.3
153.12677	9.1
155.08464	5.8
157.10179	8.5
157.63060	5.5
159.04391	18.8
159.11652	11.6
161.13275	9.2
171.04425	13.5
173.05949	6.1
173.13280	5.9
175.03862	8.0
183.11736	6.6
187.03952	16.2
191.03424	8.3
195.11873	6.0
199.03993	8.4
203.01752	7.1
203.03442	78.1
213.05461	6.9
215.03423	100.0
215.05403	4.4
216.04163	8.5
227.03436	12.5
227.06918	5.8
229.08670	10.2
233.04408	20.6
239.03470	14.1
245.04527	28.6
255.06474	9.0
257.04425	18.5
269.22537	16.0
271.09641	43.1
273.07553	10.2
283.09421	7.6
287.05453	48.6
295.09674	15.2
436.49100	6.2
444.63205	6.6
535.30121	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	535.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28030	1.1
53.03951	1.4
55.01884	6.0
57.03442	1.5
61.02920	2.5
68.29369	1.1
68.99784	2.6
69.03423	2.2
69.49921	3.0
69.50316	8.3
70.06586	3.5
79.01877	2.3
81.03416	2.6
81.07008	1.5
82.15085	1.1
85.02911	5.4
86.09681	1.4
87.00865	1.6
91.05476	3.1
93.73742	1.3
95.04965	1.4
97.02843	1.6
98.49491	1.4
100.02932	1.5
100.95076	1.3
103.03960	1.3
103.05403	1.2
107.04930	1.2
107.08574	1.2
109.02921	2.4
111.58030	1.2
115.91493	1.2
116.93843	1.4
119.04931	3.3
121.02872	17.3
135.04416	4.4
137.02333	11.4
137.05978	1.4
145.02878	2.7
149.02286	1.4
153.01851	1.8
161.02318	4.3
163.03949	1.5
165.01826	11.4
173.02368	1.5
177.01892	4.4
179.03380	3.1
183.02911	2.0
187.03914	3.4
189.01852	4.8
191.03403	2.9
195.02866	3.3
203.03374	7.4
205.05025	1.6
207.02805	2.5
213.05363	1.4
215.03427	5.3
217.04971	2.8
219.02870	1.4
221.04376	1.9
227.03384	2.2
229.04947	3.8
233.04492	1.9
243.02975	3.1
259.06036	2.7
268.07330	2.5
271.06027	5.8
272.06729	4.0
279.06775	1.6
283.06067	4.5
284.06818	1.6
287.05591	7.4
293.08023	1.4
294.05222	6.6
295.05969	21.9
295.09036	2.2
296.06683	2.1
297.07587	3.3
299.05521	60.0
300.06293	24.7
301.07004	2.8
305.08090	1.9
307.06033	19.1
307.09457	2.3
308.06921	6.5
309.07611	7.6
311.05551	28.2
311.08926	1.6
313.07034	14.1
317.07898	2.3
319.06073	3.1
320.06754	2.9
321.07620	22.8
322.04800	1.5
322.08438	3.7
323.05640	1.9
323.09161	3.5
324.06189	2.3
325.07047	22.9
327.04868	3.1
329.06543	100.0
330.07010	1.7
333.07635	13.0
334.08118	2.3
335.09097	8.4
336.06317	2.5
337.07111	14.4
339.05118	1.8
339.08704	9.3
341.06589	4.1
343.08423	1.6
345.07532	8.5
347.09250	3.4
349.07077	24.0
349.10977	2.6
351.08633	8.8
353.06573	21.0
357.07690	1.6
359.07916	3.3
361.06949	12.4
363.08563	8.9
367.08020	7.5
371.08615	1.9
373.07080	4.6
375.08722	6.9
377.06342	6.3
379.08133	24.7
383.08020	1.5
387.08682	2.8
391.08102	20.4
393.09616	2.1
395.07632	14.0
397.09134	14.2
399.08698	2.1
403.08078	4.4
405.09726	3.4
409.09222	20.3
413.08652	6.9
415.08942	3.8
417.09674	3.4
421.09079	1.9
427.10364	13.4
431.09689	3.0
433.09210	14.4
445.09558	8.5
451.10349	17.1
455.09857	8.9
463.10175	12.2
469.05316	2.2
469.11337	23.7
473.10889	5.9
481.11395	38.8
499.13211	24.2
517.09991	11.8
535.10535	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	535.1086
Annotation	Kaempferol 3-(6''-malonylgalactoside)
Peak:m/z	Relative Intensity
53.03941	0.3
55.01867	0.3
55.05499	0.1
56.02755	0.1
57.03392	0.1
67.01866	0.3
67.05488	0.1
68.99791	0.5
69.03443	0.8
69.07078	0.2
70.06582	0.4
70.13640	0.4
71.04974	0.2
72.08141	0.2
73.02945	0.2
79.05487	0.3
81.03427	1.2
81.07053	0.5
85.02910	1.1
85.06516	0.2
86.09684	0.4
87.00839	0.4
89.03916	0.2
91.05478	0.4
93.07030	0.4
95.04957	0.2
95.08611	0.4
97.02877	0.6
98.21411	0.2
99.04454	0.4
103.04005	0.1
103.05478	0.1
105.01879	0.2
105.07030	0.3
107.04939	0.3
107.08643	0.2
109.02914	0.6
109.06498	0.2
109.10152	0.2
111.00824	0.1
111.04478	0.1
115.05431	0.1
119.04926	0.1
119.08605	0.3
121.02880	0.2
121.10178	0.2
125.09613	0.3
127.03934	1.0
129.01869	0.2
129.06960	0.2
131.04950	0.2
131.08597	0.2
133.02898	0.2
133.10130	0.3
135.04420	1.9
135.08125	0.2
135.11664	0.2
137.02353	0.6
137.05965	0.4
145.04979	0.3
145.10100	0.2
147.04356	0.2
149.09619	0.1
153.01842	5.4
157.06470	0.1
159.02937	0.4
159.04271	0.1
161.02362	0.5
163.07483	0.1
163.11188	0.2
165.01831	0.2
171.02931	0.2
171.04379	0.3
175.14754	0.1
177.05412	0.1
179.03412	0.4
183.04428	0.2
185.05788	0.2
187.03937	0.2
195.02942	0.3
197.08611	0.1
203.03484	0.2
211.03964	0.2
213.05504	0.4
232.99097	0.1
241.04941	0.6
245.04510	0.3
251.16562	0.1
259.05960	0.2
269.04486	0.5
269.12878	0.2
287.05515	100.0
288.05869	1.4
345.07373	0.2
424.04996	0.1
449.10764	2.1
491.11630	0.4
517.09924	0.5
535.10883	3.9
535.18671	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18997	0.2
53.03940	1.2
55.01874	0.7
55.05495	0.5
57.03426	1.2
59.05000	0.5
61.02912	0.8
67.05515	0.7
68.99779	0.9
69.03435	6.8
69.07074	0.4
70.06577	1.0
70.62440	0.7
71.04987	1.1
72.08143	0.4
73.02923	0.4
79.05503	0.4
81.03428	4.9
81.07046	0.9
83.01337	0.3
85.02444	0.4
85.02915	5.9
86.09707	0.6
87.00847	2.7
87.04490	0.5
88.00492	0.3
91.05478	0.5
93.07037	0.6
95.04934	0.6
95.08601	0.6
97.02898	12.4
99.04465	2.2
105.01870	1.7
105.03448	0.4
105.07053	0.4
107.04971	0.5
107.08601	0.5
109.02882	2.4
109.10175	0.4
111.00803	0.7
115.03907	0.4
117.01855	0.4
120.08138	0.6
121.02860	2.7
121.06550	0.5
125.09602	0.5
127.03918	3.7
128.49339	0.3
131.08614	0.4
133.02866	0.5
133.10037	0.3
135.04382	0.4
135.11699	0.3
137.02322	0.9
137.05966	0.4
137.27399	0.3
145.04987	4.5
145.06291	0.3
145.06540	0.3
145.10072	0.3
147.04424	0.7
153.01846	4.8
157.06467	0.5
159.02882	0.8
165.01849	2.1
175.07761	0.3
183.02919	0.8
185.05981	0.6
203.58112	0.3
213.05518	1.3
231.06767	0.4
241.04922	0.9
258.05328	1.3
259.05872	0.7
269.21246	0.4
283.06085	0.6
287.05521	100.0
288.05789	1.5
299.05542	0.8
339.12579	0.3
355.11856	0.6
373.12982	0.5
412.16925	0.3
535.19330	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1087
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03947	1.6
55.01871	1.6
57.03437	1.2
61.02930	1.0
65.03969	0.1
67.01875	0.1
68.99783	1.5
69.03433	6.2
70.05909	0.2
70.06583	0.2
71.01358	0.1
71.04992	0.7
73.02922	1.4
79.05479	0.2
81.03419	6.7
83.01341	0.2
84.08120	0.2
85.02910	10.4
86.09708	0.1
87.00834	5.4
87.04482	0.2
91.03957	0.5
93.07059	0.1
97.02895	3.6
99.04457	2.4
105.01864	2.3
105.03381	0.3
107.04934	0.4
109.02884	6.1
111.00816	0.8
112.09409	0.1
115.03941	0.1
117.01863	1.0
121.02875	2.4
125.02390	0.1
127.03924	7.9
129.01860	0.8
133.02861	0.5
135.04431	0.2
137.02365	0.9
137.47754	0.1
141.07022	0.2
145.04965	2.8
145.06299	0.2
145.06564	0.2
147.02872	0.4
147.04399	0.4
153.01833	4.2
157.06506	0.3
159.02907	3.7
165.01839	1.9
171.04422	0.1
177.03796	0.1
177.65549	0.1
183.02879	0.8
185.06010	0.4
189.05496	0.2
197.06052	0.2
203.06920	0.2
213.03787	0.2
213.05492	1.5
229.05023	0.1
231.04671	1.0
231.06680	0.4
241.04947	0.9
245.97725	0.1
258.05243	1.0
259.06082	0.4
269.04538	0.2
286.04636	0.1
287.05505	100.0
288.05856	1.3
306.64761	0.1
329.06512	0.4
353.06500	0.2
395.07407	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	535.1087
Annotation	5,4'-Dihydroxy-3,3'-dimethoxy-6,7-methylenedioxyflavone 4'-glucuronide
Peak:m/z	Relative Intensity
53.03959	1.5
55.01867	1.6
57.03437	1.0
61.02922	0.8
66.44981	0.8
67.05505	0.9
68.99778	1.5
69.03413	1.3
70.06578	2.8
70.82702	1.3
70.83031	1.1
72.08161	1.4
73.02899	0.9
79.01855	4.5
79.05483	1.2
80.87016	1.0
81.03422	2.7
84.08142	1.8
85.02902	6.3
86.09704	1.3
87.00818	1.4
89.06014	2.2
91.05480	1.4
95.04955	1.2
97.02912	1.5
99.04457	1.0
103.03947	4.2
105.07026	0.8
107.08597	0.9
109.02888	2.0
120.08183	1.1
121.02861	1.2
123.04436	0.9
127.03915	1.2
135.04378	5.4
137.02345	15.2
137.03291	0.6
147.04509	1.1
149.02383	2.1
153.01839	1.0
161.02377	2.4
161.05975	0.9
163.03880	2.0
165.01855	14.6
167.03398	2.3
171.02994	1.1
177.01836	1.6
179.03314	1.3
183.02917	4.0
187.03961	2.3
195.02892	1.8
203.03459	2.3
203.07246	1.0
205.04881	0.9
215.03459	1.5
217.04999	2.5
227.07028	1.2
229.04967	4.2
233.04327	0.9
243.02933	2.4
243.06584	1.5
244.07330	1.2
259.06079	2.6
261.04016	1.2
271.06113	6.0
272.06793	8.3
275.05545	0.8
283.06058	3.8
286.04910	1.9
287.05542	14.5
287.13953	1.2
295.05948	1.8
297.07584	1.5
299.05505	100.0
300.06287	31.7
301.07077	2.6
311.05505	41.3
313.07050	17.6
315.05026	2.5
321.07425	1.3
323.05557	3.3
324.06256	3.9
325.03613	1.8
325.07187	8.0
327.05042	5.2
327.08371	0.9
329.06555	94.4
330.06970	2.0
336.06308	0.9
337.07217	2.9
339.05069	1.4
339.08652	10.8
341.06546	7.1
343.08276	3.8
349.07138	3.7
353.06561	18.5
355.08209	1.0
359.07574	4.0
365.06592	3.1
367.08130	5.1
371.07770	2.0
377.06558	5.5
379.08112	1.4
383.07544	7.3
395.07648	14.0
395.12390	0.6
413.08728	12.9
415.06903	1.1
431.09863	5.4
449.10898	2.5
455.09573	9.4
469.07785	2.6
473.10742	8.3
481.11374	1.9
491.11642	4.6
499.08270	7.9
517.09796	17.2
535.10889	53.1
536.11017	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1086
Annotation	5,4'-Dihydroxy-3,3'-dimethoxy-6,7-methylenedioxyflavone 4'-glucuronide
Peak:m/z	Relative Intensity
50.71023	0.8
55.01884	1.1
68.99766	1.5
69.45634	5.1
70.06598	0.8
79.01839	1.6
81.03411	2.8
85.02914	4.1
95.04977	1.1
97.02966	1.0
98.21494	1.7
103.03952	1.7
109.02907	0.9
121.02846	2.2
126.76633	0.9
129.01799	1.4
135.04395	3.7
137.02354	11.4
137.03329	1.8
147.04491	1.1
149.02351	1.7
150.39748	0.7
153.01863	1.1
156.02682	0.8
158.49188	1.3
161.02411	2.4
165.01849	10.8
167.03345	0.9
177.01855	2.2
179.03355	1.0
180.71275	0.8
183.02911	1.9
187.03915	1.5
189.01802	1.2
189.04008	0.9
191.03438	0.9
195.02914	1.8
203.03468	1.3
213.05505	1.0
213.73970	0.8
215.03435	1.5
217.05052	1.3
227.07089	1.4
229.05013	1.9
243.02940	2.5
243.06480	1.8
258.05133	1.0
259.06027	1.7
261.04004	1.0
271.05994	5.2
272.06808	7.2
283.06073	3.0
286.04858	1.1
287.05521	6.6
295.06012	2.6
297.07620	2.0
299.05521	63.0
300.06290	24.9
301.07056	2.2
307.05991	1.6
309.07770	1.3
311.05542	33.4
313.07028	12.8
321.04135	0.8
321.07602	3.2
323.05270	2.2
324.06125	2.5
325.07086	6.8
327.05011	2.7
329.06564	100.0
330.06848	1.8
333.07642	1.7
335.09189	1.1
337.07043	2.6
339.05054	1.4
339.08508	7.7
341.06613	4.6
343.08224	1.3
349.07291	4.3
353.06570	20.3
355.07999	1.1
359.07642	5.8
367.08072	2.9
371.07617	1.5
377.06622	4.6
379.08118	3.1
383.07541	1.5
391.08017	1.9
395.07614	13.5
397.09335	1.3
409.09070	2.4
413.08795	5.1
427.10541	1.1
431.09714	2.4
433.09161	1.5
445.08746	0.9
449.10449	2.4
451.10287	3.1
455.09732	9.5
469.11212	2.2
473.10806	7.7
481.11804	3.9
491.11560	2.5
499.08231	8.9
517.09674	12.5
535.03229	1.4
535.10852	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	533.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	12.3
57.03425	2.4
57.07077	5.1
67.05504	10.5
69.07074	13.7
71.08619	2.9
74.23685	1.1
79.05491	4.9
81.07059	12.0
83.08617	9.8
85.06522	1.2
85.10178	1.5
86.11813	1.1
87.29907	1.3
91.05489	2.2
91.45306	1.1
93.07041	5.3
95.08615	9.2
97.06517	1.5
97.10158	4.1
105.06996	1.2
107.08576	4.2
109.10149	4.2
111.11702	2.1
115.03663	2.8
116.64755	1.0
119.08568	1.5
120.96632	1.2
121.10119	4.1
122.64030	1.0
123.11735	1.5
133.10118	1.6
135.11662	2.8
150.89549	1.2
161.13264	1.2
174.55597	1.1
176.99249	28.5
177.05511	1.6
195.00304	66.8
269.03992	4.5
339.28925	20.9
379.28162	4.2
441.23810	11.5
449.72232	1.2
459.24695	2.9
515.27515	7.3
533.28320	100.0
534.28583	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	534.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	23.9
55.55928	3.3
57.03446	7.1
57.07076	11.7
60.08162	7.1
61.02927	9.2
67.05508	96.8
69.07071	27.9
71.08632	3.6
71.49398	6.0
74.16348	4.1
79.05485	31.9
81.07059	98.1
83.08617	23.9
85.02907	4.7
85.06526	5.3
85.17339	3.3
86.09715	18.3
91.05477	14.1
92.24443	3.4
93.07047	23.6
95.08607	77.0
95.09177	5.8
97.06562	8.7
97.10192	12.4
104.10738	54.6
105.07043	13.3
107.08636	18.1
109.10168	37.9
111.11678	5.9
119.08569	11.6
121.10142	28.7
123.11703	20.7
125.00037	8.6
125.09666	5.3
133.10147	21.1
135.11707	15.5
137.13277	7.6
147.11710	14.3
149.13252	10.9
161.13286	12.1
163.14920	9.3
165.16443	12.2
175.14862	13.2
179.17950	8.3
184.07306	22.4
189.16365	5.8
203.17900	5.3
216.13029	3.8
245.22641	72.3
263.23730	100.0
337.27383	67.1
355.28525	7.4
453.99188	4.3
475.22314	8.7
513.12598	3.4
534.35553	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	533.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28660	5.2
63.14467	5.8
69.03426	18.1
70.93596	9.6
71.04994	5.9
72.08150	5.5
79.05486	9.0
81.03437	20.3
81.07037	9.8
83.04986	11.0
85.02922	56.1
85.06530	12.7
91.05479	6.0
91.50190	5.4
93.07042	16.0
95.08611	18.0
97.02901	13.9
99.04450	36.6
99.08091	9.3
103.03947	57.2
105.07037	13.4
107.08599	68.8
109.02906	11.5
109.06506	7.9
109.10136	9.0
121.06476	14.4
121.10150	32.1
123.08048	15.0
127.03915	89.1
131.08620	9.5
133.10147	20.4
135.08070	12.9
137.09679	7.0
145.04982	54.2
147.11726	6.9
149.09607	38.8
149.13254	20.8
151.11099	11.3
153.09103	6.9
163.06041	36.6
163.14819	12.3
173.13272	24.7
191.14310	100.0
208.28804	6.6
209.15402	61.6
271.08228	7.7
307.10370	8.4
328.67477	6.4
371.11273	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	533.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	14.9
64.06164	2.9
67.05495	4.9
69.03462	2.4
69.07074	3.9
69.65472	17.1
79.05509	2.7
81.03429	3.7
81.07060	4.2
83.04988	100.0
85.02912	4.0
91.05475	3.7
95.08643	3.2
107.08572	6.1
119.08592	3.9
147.04425	4.7
157.10112	3.1
193.92868	2.7
203.03415	20.8
221.04497	3.3
227.03410	2.8
229.08852	2.7
271.09650	5.9
311.12741	3.0
325.64474	2.6
365.08432	2.9
419.13309	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	533.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.3
55.01879	1.7
59.11256	0.8
61.88071	0.8
67.05515	1.2
69.03419	2.7
70.06574	3.3
70.77451	1.2
70.77791	1.9
72.08160	1.1
78.04707	2.8
79.05502	9.5
81.03421	1.8
81.07053	1.2
82.82216	0.9
84.08129	2.4
85.02902	4.0
86.09702	1.8
91.05480	4.0
93.07071	1.3
95.04945	1.7
97.02895	1.4
101.28224	1.0
103.05457	2.8
105.07034	8.9
106.04170	2.2
107.04961	12.9
107.08572	1.0
109.02905	1.6
109.06479	1.2
115.05444	4.0
117.07030	1.7
118.04142	1.8
119.08596	1.3
120.08070	1.3
121.06483	1.5
123.04455	6.6
124.05200	4.9
125.06001	1.4
125.09586	1.1
127.03903	1.9
128.06233	2.6
129.07021	6.7
131.04948	3.6
132.05719	3.6
133.06496	3.8
137.02336	1.2
137.05984	2.3
145.06442	2.6
147.04419	1.5
147.08063	3.9
149.06007	1.6
152.04700	2.4
153.05458	2.6
157.06487	1.2
159.08047	7.0
160.05191	1.6
161.05965	10.3
163.03886	1.2
167.07048	100.0
168.07359	1.2
171.08113	1.0
172.05098	1.1
175.07562	25.8
176.04680	1.9
177.05452	2.6
178.07779	1.1
184.05205	1.5
187.07549	22.2
189.07033	1.1
189.09135	2.5
190.07755	2.0
191.07019	6.7
199.07545	10.1
201.05383	1.5
202.07756	2.3
203.08580	2.8
206.07269	2.7
207.08041	1.6
209.08058	2.3
215.08522	1.8
218.07335	2.9
219.08031	2.8
220.08754	1.1
221.09604	2.5
231.08066	2.2
233.09607	3.6
234.06750	2.1
235.07573	3.4
242.64214	0.9
243.08008	0.9
246.06900	2.3
247.07550	2.8
249.09099	4.2
250.09778	1.4
251.07143	1.2
259.07715	1.0
260.08340	1.5
261.09094	4.6
262.09906	1.1
263.07025	2.5
266.09341	1.4
274.06183	1.1
275.07117	1.1
276.44208	1.1
277.08548	2.7
278.09296	1.9
281.11823	6.1
289.08548	4.4
290.09625	1.1
291.06677	1.1
291.09958	1.3
293.11749	2.9
294.08844	1.8
301.26111	1.0
303.05029	2.0
306.08847	2.0
307.09601	1.3
309.11319	7.3
310.12100	1.5
311.08997	1.0
315.04947	2.3
321.11185	10.0
322.11948	2.3
325.14383	1.2
326.11499	2.5
327.04974	3.7
341.06583	2.0
341.13828	17.1
343.86121	1.0
353.13843	7.9
369.05966	3.5
411.07126	3.4
486.84387	1.0
497.41992	1.1
533.20325	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	14.6
55.79602	1.5
67.05493	2.3
69.03424	3.4
70.06581	2.9
71.48319	2.3
81.07048	4.4
83.04985	100.0
85.02924	2.2
85.06580	1.6
86.09753	2.9
87.93649	1.7
91.05463	4.9
93.07045	2.9
95.08622	5.0
97.06561	1.6
105.06997	3.7
107.08578	3.2
109.02894	1.5
119.08554	4.2
121.10137	1.7
125.09658	2.6
129.06926	1.6
131.04947	2.8
133.10123	3.2
137.05960	1.8
145.10130	2.2
147.04401	5.6
149.36221	1.9
151.11185	2.5
156.57152	1.3
157.10260	1.6
159.03098	1.7
159.04422	5.0
171.04439	5.7
173.13293	1.7
178.31883	2.0
185.05998	1.7
187.03864	3.0
199.03900	4.0
203.03412	26.7
215.03410	12.7
216.04193	4.9
227.03404	3.7
233.04517	1.5
245.04436	5.5
255.06560	2.0
257.04401	4.4
269.04596	2.2
271.09637	14.8
273.07556	1.6
285.07437	1.9
285.18387	1.7
295.09637	4.9
355.66458	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1295
Annotation	Apigenin 7-methyl ether 5-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03944	1.0
54.56546	0.3
55.01859	0.9
55.05501	0.9
57.03423	0.6
57.07066	0.5
58.45309	0.2
60.75447	0.3
62.36030	0.3
63.10089	0.3
67.05500	1.0
68.99802	0.7
69.03429	3.0
69.07059	1.2
70.06615	1.4
71.04998	0.7
71.49252	0.5
71.99087	0.3
72.08160	0.4
73.02911	0.8
77.48325	0.3
79.05495	1.1
81.03427	3.2
81.07059	1.9
83.04984	0.7
84.08144	0.7
85.02914	5.2
85.06544	0.6
86.09714	1.3
87.00835	2.4
89.83060	0.3
91.03968	0.3
91.05488	2.6
92.23672	0.3
93.07047	1.7
95.04961	1.1
95.08606	1.8
97.02909	1.8
97.06457	0.3
97.10152	0.4
99.04458	1.4
103.05466	0.3
104.10733	0.3
105.01908	0.8
105.07044	1.5
107.04958	0.5
107.08583	1.9
109.02888	2.2
109.06514	0.7
109.10133	1.3
111.04462	0.4
111.08080	0.4
117.01839	0.3
117.07040	0.3
119.04974	0.8
119.08591	1.9
121.06546	0.5
121.10130	1.3
123.04422	0.7
123.08057	0.6
123.11682	0.3
125.09632	0.8
127.03928	2.7
128.06190	0.3
129.01857	0.3
130.06584	0.3
131.04918	0.4
131.08560	1.1
133.02866	0.4
133.10133	1.1
135.04350	0.4
135.08075	0.9
135.11646	0.8
136.07574	0.3
137.05997	0.4
139.11188	0.3
139.73962	0.4
142.07770	0.3
143.08546	0.4
145.02850	1.4
145.04971	0.9
145.10158	1.5
147.11694	1.1
148.11176	0.7
149.07419	0.7
149.09616	0.4
149.11476	0.3
151.03929	0.6
151.07555	0.4
151.11140	0.4
153.06996	0.6
155.08578	0.6
157.06464	0.4
157.10115	1.0
159.02892	1.1
159.04431	0.5
159.11700	1.0
161.09587	0.6
161.13300	0.4
163.03922	2.0
163.07672	0.3
164.08224	0.3
165.12737	0.5
167.03423	4.9
167.07123	0.4
168.05685	0.5
169.06493	0.5
169.10104	0.8
171.11691	0.7
173.13199	0.6
175.11266	0.4
175.14810	0.3
179.03430	0.5
181.06488	0.6
183.08060	0.5
183.11618	0.6
184.07353	0.8
185.13313	0.7
187.03992	0.4
187.07608	0.4
187.14810	0.5
189.12828	0.3
191.14397	1.4
197.06010	0.6
199.07530	0.6
199.14810	0.5
201.09088	0.5
209.05775	0.3
211.07578	0.8
211.14859	0.3
213.05563	0.5
214.06258	0.8
215.14409	0.3
224.04675	0.5
225.16370	0.3
227.07002	1.0
229.08630	5.5
231.05040	0.3
242.05730	3.8
249.18694	0.3
255.06505	4.4
257.08121	3.4
261.12698	1.2
267.06583	1.2
267.20990	0.8
270.05292	1.0
270.29205	0.3
271.05939	0.3
285.07590	100.0
286.07990	1.6
299.05322	0.5
326.10199	0.4
327.08820	0.4
353.10205	2.6
371.11337	1.5
415.21750	0.3
515.19501	0.3
533.16821	0.5
533.26886	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07071	1.2
69.77527	2.1
69.77935	3.4
70.06593	5.8
71.05001	0.9
72.08149	3.0
79.05484	1.2
84.08158	1.8
85.02927	2.3
85.06499	1.0
85.81403	0.8
86.09702	3.5
91.05505	1.6
93.07068	1.6
94.06580	1.6
97.02904	0.9
97.06493	1.1
99.04456	1.5
103.03941	1.3
106.06525	1.3
107.08617	1.6
108.08130	2.8
109.02892	1.1
109.06544	0.8
114.05523	1.3
117.07045	1.2
120.08079	4.7
121.06503	2.0
121.08893	1.2
122.09689	3.0
124.07592	0.9
127.03913	2.1
131.07294	3.8
132.08090	2.2
134.06009	3.3
134.09627	4.5
136.07564	3.4
136.11208	1.6
137.09612	1.5
138.09116	1.9
145.04970	1.6
146.09654	6.5
148.07561	5.8
149.08302	1.3
149.09650	1.3
150.09157	2.9
161.08397	1.7
162.05521	1.0
162.09186	5.1
164.10745	6.5
166.08647	1.4
174.09151	7.4
176.07097	1.8
176.10699	1.2
178.08679	1.9
178.12282	2.3
188.07089	2.4
189.07848	13.2
190.08614	9.1
192.10208	13.5
193.09720	1.2
194.08096	2.2
194.11754	1.8
196.13338	2.5
200.82928	1.0
202.08620	3.8
207.07692	1.0
208.14220	1.1
218.08116	1.6
220.09692	91.8
221.09264	1.1
224.12807	19.9
238.10791	3.2
246.07632	1.1
252.12320	100.0
253.12808	2.1
281.08441	1.9
281.11349	27.4
296.06674	1.3
305.11169	1.8
333.10858	1.9
392.08572	1.3
454.19800	4.6
482.19104	11.8
496.09674	1.5
500.20200	3.8
532.22729	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	532.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03971	0.8
59.68073	0.5
69.03415	2.7
69.07050	0.8
69.51620	4.2
70.06580	2.6
71.04987	0.8
72.08129	0.8
76.96861	0.6
79.05493	0.9
81.03408	1.0
81.92117	0.6
83.04972	0.7
84.08142	0.7
85.02892	2.1
86.09682	2.4
91.05493	1.7
91.34113	0.6
93.07042	1.7
94.06568	1.6
96.08125	0.7
97.02885	0.8
98.20702	0.6
103.05468	1.2
105.07027	1.3
107.08588	1.4
108.08111	2.6
111.38213	0.7
117.07023	1.1
119.07291	0.7
120.08116	4.7
121.06506	2.0
121.08868	1.0
122.09687	3.4
124.07586	1.4
125.09635	7.5
126.09963	2.5
127.03952	1.5
127.11143	0.8
129.07007	1.2
131.07327	4.0
132.08070	2.3
133.06479	0.6
134.05983	2.4
134.09650	4.9
136.01173	0.7
136.07559	3.0
136.11201	2.3
138.09123	1.4
144.08101	0.8
146.06021	1.2
146.09645	7.2
147.06873	0.8
148.07574	7.2
148.11211	1.0
149.08333	1.6
150.09167	2.1
152.07025	1.2
159.06801	1.2
160.07579	1.9
161.08365	1.2
162.05501	1.5
162.09148	5.1
163.09985	0.8
164.10736	6.5
165.10362	0.7
166.08661	1.6
168.06554	0.9
172.07565	1.2
174.09155	8.5
176.07118	1.8
178.08597	1.6
178.12247	1.6
188.07054	1.7
189.07851	14.8
190.08633	9.8
192.10176	12.7
193.09669	1.2
194.08165	2.3
194.11760	1.3
196.13354	2.6
202.08711	4.9
207.11385	1.1
208.09753	0.9
217.09769	1.0
218.08221	1.7
220.09689	91.8
221.09332	2.6
224.12828	19.4
231.11446	0.8
236.09222	0.9
238.10777	3.3
245.09108	0.8
252.12315	100.0
253.12840	1.6
263.10330	1.3
265.11868	0.9
279.09775	1.1
281.11322	27.6
284.22867	0.7
287.10349	1.0
305.11304	2.5
314.07434	1.1
368.08438	1.3
410.09329	1.3
436.18478	1.2
454.19705	5.4
464.17966	1.0
465.16788	0.8
482.19241	15.1
500.20200	2.7
514.21881	1.5
532.23541	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	532.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
58.82268	0.6
67.05496	1.4
69.03439	3.5
69.37795	0.6
70.06592	4.4
70.18143	1.4
70.18523	2.5
71.05001	1.5
72.08141	1.9
81.03423	0.8
81.07071	0.9
85.02912	2.3
85.06532	0.9
86.09689	3.7
89.54213	0.7
91.05524	1.4
93.07063	1.7
94.06553	2.2
95.04949	0.8
96.08163	0.8
97.02874	1.0
97.76410	0.8
99.13647	0.7
101.06004	0.9
105.07037	1.5
108.08157	3.5
109.10078	0.8
117.07035	1.7
119.08556	0.8
120.08116	5.5
121.06470	2.5
121.08885	1.2
122.09664	3.9
123.04462	0.9
124.07539	1.1
125.09648	7.3
126.09993	2.0
127.03880	1.3
127.11182	1.6
127.12064	0.7
129.07013	0.7
131.07280	3.6
132.08089	2.4
134.06003	3.6
134.09659	5.0
136.07584	3.1
136.11211	1.8
138.09140	2.1
144.08057	0.9
146.06062	1.3
146.09631	7.2
147.06746	0.9
148.07581	7.0
148.08652	0.9
148.11226	1.8
149.08336	1.4
150.09161	2.8
153.12804	0.8
160.02974	0.6
160.07605	1.8
161.08337	1.7
162.05495	2.0
162.09184	5.7
163.09784	1.1
164.10698	6.4
166.08632	1.4
172.07579	1.4
174.09117	6.0
176.07109	2.5
178.08630	2.4
178.12260	1.6
179.64862	0.6
188.07097	2.1
189.07854	14.4
190.08658	8.2
192.10220	12.4
193.09747	1.3
194.08203	2.0
194.11777	1.5
194.41805	0.6
196.13339	2.5
202.08635	4.5
204.06487	0.9
206.11832	1.3
208.09767	0.7
217.09744	0.7
218.08199	1.0
220.09702	89.2
221.09787	2.2
224.12833	19.5
236.09125	1.1
238.10741	4.6
252.12325	100.0
253.12717	2.4
254.13979	1.2
263.10101	1.1
279.09726	1.2
281.11328	26.9
282.11624	0.7
284.23056	1.4
291.09613	0.8
301.00964	0.7
305.11307	2.2
333.10773	1.4
365.13449	1.1
410.09534	0.8
454.19775	4.6
482.19299	16.3
483.18588	0.8
500.20026	2.7
514.21759	1.4
532.23254	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	530.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44537	3.1
54.42896	2.9
55.05504	9.3
57.03445	6.1
67.05506	25.5
69.07066	13.6
70.67161	8.0
78.47027	3.8
79.05484	9.6
81.07058	84.7
83.04975	6.4
83.08618	9.1
85.06538	3.8
85.59505	3.3
91.05495	23.5
93.07050	15.3
95.08614	19.8
97.06533	6.5
105.07024	34.7
107.08606	10.1
109.06496	6.2
119.08585	29.8
121.10140	18.0
123.08104	3.5
123.11697	27.2
147.11694	63.8
165.12781	31.6
211.13147	4.3
229.14386	8.5
267.15927	65.3
276.91193	4.1
285.16980	100.0
477.28476	9.6
495.29578	35.8
504.22430	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	530.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	11.7
57.03439	7.1
61.90339	4.1
63.14422	4.4
65.72285	4.2
67.05511	31.8
69.07082	25.1
70.78783	8.7
70.79139	6.2
79.05505	15.4
81.07064	100.0
83.04979	11.9
83.08644	10.1
85.06584	4.5
85.16853	4.1
90.46361	3.8
91.05502	29.6
93.07050	18.3
95.04993	4.5
95.08618	16.6
97.06532	7.8
105.07056	44.5
107.08594	15.8
109.06538	4.7
109.10196	5.8
119.08575	32.9
121.10162	24.5
123.08099	7.5
123.11731	36.7
137.02451	4.0
147.11684	67.3
165.12764	29.3
183.13849	7.0
229.14365	6.6
255.99294	4.4
267.15936	96.5
285.16995	59.1
348.89328	4.4
389.38208	4.9
477.28635	19.7
495.29623	68.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54542	1.2
51.02374	2.3
53.03949	6.6
55.01866	2.5
55.05518	23.6
57.03450	4.8
57.07068	3.5
65.03947	2.9
67.05510	74.5
69.03421	1.5
69.07073	25.7
69.17823	4.0
69.18245	6.2
71.04985	4.6
71.08636	1.2
77.03901	2.2
79.05497	60.4
79.95261	0.9
81.03416	1.9
81.07061	78.6
82.43387	1.0
83.04984	7.1
83.08623	11.3
85.06543	4.3
91.05484	35.5
93.07050	73.2
95.04971	6.6
95.08611	37.7
97.06536	9.7
97.10179	3.2
98.20757	2.1
99.08083	2.2
105.04534	3.5
105.07043	22.1
107.08601	35.6
109.06532	2.5
109.10159	11.0
111.08085	5.9
113.09660	1.0
115.05470	1.2
117.07023	12.6
119.08591	14.6
121.09332	2.2
121.10153	28.1
123.08062	1.7
123.11726	3.9
129.06995	2.7
131.08574	21.3
133.10155	13.4
135.08180	1.0
135.11696	15.7
139.11205	1.4
143.08578	5.0
145.10118	11.0
147.11717	7.5
149.09657	1.1
149.13263	28.3
149.14389	2.1
151.14868	1.1
155.08641	1.0
157.10144	3.7
159.11699	17.9
161.13263	2.9
164.11513	1.2
169.10123	1.4
171.11758	3.2
173.13240	6.1
175.14870	2.7
177.12822	6.3
183.11725	1.9
185.13336	2.9
187.14861	4.0
195.13821	8.1
197.13281	1.7
199.14880	2.0
221.54745	1.1
243.73566	1.1
261.22104	6.8
317.24991	1.2
419.33057	1.6
437.34158	5.8
455.35260	1.7
511.37665	1.9
529.38940	100.0
530.39294	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	530.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.1
55.01872	1.7
55.05512	4.8
67.05180	1.8
67.05513	22.2
69.03420	3.5
69.41587	1.3
70.06587	5.4
70.83448	2.5
71.04981	2.3
72.08160	2.6
79.05459	1.8
81.03422	14.8
81.07069	13.5
84.04517	1.6
84.08142	1.9
85.02890	4.4
86.09697	5.2
91.05462	3.5
93.07058	5.7
95.04959	4.8
95.08621	10.7
97.02884	5.4
97.06519	1.8
99.04469	2.3
99.08074	1.3
103.03925	3.0
105.07026	2.1
107.08611	3.6
109.02892	15.5
109.06553	2.5
109.10170	42.0
111.08125	1.7
119.08568	5.1
120.08066	1.4
121.06525	1.5
121.10155	2.2
123.08073	1.6
125.05999	2.9
125.09660	1.5
127.03980	5.8
127.98174	1.3
135.08008	1.8
137.09628	100.0
147.11665	1.2
155.10663	4.0
155.14299	1.6
165.09125	95.0
172.89661	1.2
183.10233	7.5
189.09077	1.1
201.11224	7.9
265.10721	1.3
291.12329	4.9
309.13367	31.0
327.14355	8.7
345.15411	1.3
530.21124	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.0
55.05517	17.1
55.42274	1.4
57.03424	4.4
57.07074	5.0
65.03933	3.6
67.05509	55.3
69.06735	1.8
69.07076	20.2
70.06568	1.4
71.04993	3.1
71.08613	2.5
79.05502	41.2
79.05970	2.3
81.03421	1.6
81.07064	64.4
81.59654	1.4
83.04980	4.6
83.08630	10.1
83.90311	1.3
85.06523	3.2
91.05488	27.5
93.06487	2.8
93.07056	54.3
93.07644	2.9
95.04967	5.4
95.08611	35.5
97.06546	5.3
97.10178	2.5
99.08069	2.4
105.04512	2.4
105.07037	19.1
107.04933	1.5
107.08601	27.3
109.06561	2.3
109.10162	11.4
111.08085	1.9
117.07034	10.2
119.08586	14.1
121.06511	1.8
121.10168	21.4
123.11710	4.2
128.06161	1.3
129.07001	2.6
131.08591	19.6
133.10135	13.2
133.62231	1.2
135.11739	13.0
143.08574	5.5
145.10149	11.5
147.11676	9.3
149.13274	21.5
151.11217	1.4
155.08461	1.8
157.10184	4.8
159.11685	14.6
161.13266	5.6
163.14812	1.7
171.11714	4.4
173.13293	5.3
175.14844	2.8
177.12729	2.6
183.11676	2.2
185.13319	1.6
187.14864	2.4
187.41751	1.4
195.12097	1.6
195.13841	7.6
197.13121	1.8
199.14787	2.2
208.89903	1.5
261.22131	4.4
273.26086	1.5
312.29984	2.0
321.47891	1.6
419.33084	2.8
437.34192	7.9
455.35306	4.4
511.37595	4.2
529.38922	100.0
529.50073	10.9
530.39282	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	2.2
53.03951	6.5
55.01870	3.3
55.05514	22.4
57.03437	4.7
57.07067	4.9
60.09912	1.2
65.03944	4.2
67.05510	74.3
69.07076	26.2
69.86155	1.9
71.04998	5.1
79.05500	67.4
81.07066	84.0
83.04984	5.5
83.08631	12.1
85.06543	5.1
87.04478	3.1
91.05495	40.3
93.07053	72.6
95.04980	5.5
95.08614	42.4
97.06519	8.7
97.10202	3.0
99.08130	2.8
105.04535	1.6
105.07054	26.4
107.04988	1.6
107.08609	37.4
109.06521	2.6
109.10160	12.8
111.08100	6.1
117.07037	13.8
119.08602	17.8
121.09339	1.3
121.10149	31.8
123.08105	1.8
123.11739	3.2
129.07043	5.8
131.08585	23.6
133.10149	18.1
135.11696	15.6
137.09746	1.5
139.11217	1.9
141.37979	1.4
143.08589	5.3
145.10130	14.6
147.11703	9.5
149.13272	26.6
151.11160	1.7
155.08592	2.8
157.10173	4.3
159.11702	17.4
161.13234	7.3
163.14955	1.7
169.10187	3.1
171.11703	6.2
173.13307	8.7
175.14812	3.4
177.12775	4.8
181.10225	2.0
183.11737	3.0
185.13284	3.3
187.14899	4.6
193.23323	1.4
194.50798	1.5
195.13850	6.2
197.13383	2.5
199.14859	2.9
211.14856	2.5
225.16290	1.8
229.38435	1.5
256.26428	7.3
261.22192	5.3
293.76822	1.5
367.65265	1.7
419.33173	2.8
437.34167	10.4
455.35217	4.0
473.36932	1.9
511.38062	2.3
529.38971	100.0
530.39154	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	529.276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83464	1.0
70.06590	2.1
71.04996	5.4
71.10035	2.0
74.02448	1.2
91.05492	2.0
117.07027	1.1
118.06558	22.7
127.10307	1.6
127.11211	23.3
130.06564	1.3
132.08105	5.3
140.47675	0.9
143.07248	1.7
144.08095	14.3
145.12236	9.5
146.06021	62.9
159.09161	5.0
163.13304	2.9
170.06010	3.4
188.07082	100.0
189.07339	1.5
205.09729	41.6
339.95972	1.0
364.72125	1.1
416.14819	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	16.2
56.05032	2.1
57.03431	9.2
57.07071	4.1
65.03931	3.5
67.05505	98.5
69.07076	18.0
69.80324	8.2
69.80737	4.7
71.01357	5.6
71.04980	2.2
73.02921	4.1
79.05492	43.2
81.03412	4.0
81.07061	100.0
83.05003	2.5
83.08609	9.8
85.02908	15.0
85.06552	5.3
91.05488	24.9
93.07045	58.0
95.01340	7.8
95.04979	5.8
95.08612	75.5
97.02836	2.6
97.10175	5.6
101.02419	2.6
105.07042	24.1
107.08603	35.4
109.06498	3.2
109.10159	39.4
111.08090	2.7
113.02407	3.4
117.07037	15.2
119.08598	22.5
121.10139	35.1
123.11713	20.4
125.09660	2.7
129.07040	4.0
131.08559	25.3
133.06531	2.7
133.10144	16.8
135.11708	27.1
137.13268	7.5
141.01846	14.2
141.61771	2.4
143.08548	5.4
145.10146	17.6
147.08066	2.9
147.11710	13.1
149.09633	3.2
149.13286	19.1
150.29787	2.3
151.14783	2.9
157.10193	2.7
159.02850	2.4
159.11740	15.7
161.13268	10.5
163.11182	2.9
163.14792	11.7
165.12869	2.7
171.11678	2.9
173.13266	18.7
175.14857	6.1
176.99310	3.5
177.16273	3.8
183.11813	3.1
185.13367	3.0
187.14838	9.5
189.16353	3.6
195.00314	9.2
201.16582	3.5
233.22809	3.4
243.21091	19.6
261.22159	91.4
279.23267	8.3
335.25870	20.3
353.26868	78.3
354.27197	3.6
355.22885	4.2
383.22031	4.7
419.23975	4.1
431.27783	4.3
473.47446	2.3
493.27783	3.2
529.25055	8.3
529.38269	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	529.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.0
55.01865	9.1
55.05516	27.1
55.39700	1.8
57.03424	7.3
59.04986	6.5
61.02924	4.8
65.03889	2.0
66.88360	3.1
67.05502	5.3
68.99780	3.1
69.03437	34.5
69.07046	2.1
70.06599	47.0
71.04987	5.2
71.47390	2.6
72.08176	10.4
73.02902	6.3
78.10483	1.8
79.05494	8.2
81.02995	3.1
81.03426	38.2
81.07063	9.9
83.04501	2.5
83.04988	35.3
83.08630	3.3
84.04498	3.2
84.08137	8.2
85.02914	62.7
85.06571	2.8
86.09283	2.0
86.09720	17.8
87.00832	23.8
91.05484	17.4
93.07043	15.9
95.04962	14.0
95.08609	5.2
96.72355	2.0
97.02904	19.8
97.06530	3.4
98.06049	2.7
99.04446	11.0
101.06022	10.9
103.03920	3.7
104.14975	1.9
105.01865	17.1
105.07029	19.8
107.04957	3.0
107.08598	16.4
109.02888	37.0
109.06523	7.6
109.10144	6.4
110.07160	4.3
115.05435	2.7
117.01855	4.6
117.06973	6.0
119.04928	2.5
119.08579	20.8
120.08115	11.4
121.02884	2.4
121.06507	8.2
121.10172	15.7
123.08101	5.6
125.06016	3.4
127.03925	54.3
129.01828	4.1
129.06967	4.8
129.10193	2.8
131.04900	3.3
131.08560	6.5
133.10146	11.8
135.08070	10.3
135.11737	4.8
136.07571	9.2
137.05960	3.3
137.09642	6.1
143.08482	4.5
145.04973	17.2
145.06523	3.5
145.10147	15.5
147.02888	4.6
147.04457	4.1
147.08057	19.9
147.11563	2.0
149.09639	2.9
153.09189	2.0
157.10071	4.9
159.02922	19.3
159.08047	8.4
159.11613	3.5
161.06012	2.4
161.09570	9.9
161.13316	2.8
163.07448	3.1
163.11188	100.0
165.09157	4.6
171.11703	2.1
173.13065	2.6
175.03879	3.8
175.11137	2.5
177.09161	9.2
179.08627	1.8
179.10637	5.7
181.08694	2.2
181.12196	9.2
185.13258	6.6
187.03925	6.5
187.11145	2.8
189.01926	2.6
189.03841	2.4
189.09085	7.5
199.14967	2.6
203.03423	3.2
203.14323	7.3
205.12242	7.4
207.10149	17.8
213.03911	2.4
223.13283	7.1
227.14249	4.8
230.11449	12.1
231.04945	13.8
233.15443	5.5
245.15396	18.6
263.16458	33.8
281.17468	15.6
293.34961	2.1
295.06116	7.8
307.06082	4.9
321.07559	4.6
325.06940	4.8
333.07697	2.1
349.07108	6.1
373.07123	2.5
379.08124	2.4
387.08731	2.5
391.08026	5.6
393.15250	4.2
409.09195	5.0
429.17435	4.9
433.08765	2.5
457.08554	2.9
493.11929	2.4
493.20633	2.9
511.12088	3.3
511.21603	2.3
529.23370	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.5
64.14467	2.8
67.05521	4.0
68.00689	2.8
68.57088	2.7
69.03424	19.9
69.73505	20.0
70.06599	23.8
71.04991	5.6
71.06940	3.2
72.08150	7.2
79.05488	8.4
81.03430	15.2
81.07055	10.4
81.11031	3.5
83.04987	5.7
84.04532	3.5
84.08128	5.8
85.02924	24.2
86.09713	24.7
87.00831	9.3
91.05491	8.9
93.07044	7.5
95.05007	4.3
95.08623	6.9
97.02892	12.5
97.06552	6.0
99.04455	5.4
105.01886	4.8
105.07034	12.5
107.08600	16.4
109.02885	15.5
109.06515	6.2
110.07187	4.9
111.04449	5.1
111.08129	3.5
117.07021	3.3
119.08579	9.7
120.08127	8.6
121.10214	3.1
123.04416	5.3
123.08115	4.4
125.09659	5.2
127.03929	17.4
129.07018	3.8
131.08574	4.8
135.07016	4.9
135.08060	100.0
137.05975	5.2
142.07797	4.8
144.09402	4.0
145.04976	7.4
147.08032	3.6
149.09560	4.3
154.07869	3.5
156.09320	7.1
159.08031	4.9
159.11684	13.8
161.06068	4.1
161.09631	5.4
165.09151	3.2
166.50026	2.9
169.10246	3.6
171.11659	5.8
172.08838	10.0
173.09642	15.9
175.07549	4.3
187.11192	45.7
199.11223	10.5
203.10712	12.1
205.12166	4.0
215.10698	35.6
217.12337	7.5
227.10674	8.5
233.11754	59.2
245.11731	38.7
263.12778	30.6
263.16495	4.8
288.24200	3.0
335.09189	3.1
356.83392	3.4
485.23941	4.7
529.22607	11.2
529.26239	9.8
539.12726	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.2
57.03451	4.6
57.27244	3.2
61.02929	4.8
66.73631	4.1
68.49027	3.7
69.03429	19.3
69.43984	27.7
69.60133	4.6
70.06596	21.8
72.08163	10.0
81.03416	6.6
81.07069	6.4
84.04482	5.2
84.08144	6.8
85.02914	48.3
86.09725	20.3
91.05487	5.8
95.08608	5.6
97.02899	17.7
99.04450	7.8
104.18284	3.7
107.04977	10.3
107.08588	4.7
109.02870	4.5
110.07121	4.4
115.05432	22.6
120.08057	5.4
125.09644	4.2
127.03930	15.4
129.10202	3.4
131.04916	25.7
133.06561	4.4
135.04382	4.6
135.08075	14.7
143.04909	24.3
145.04964	19.6
147.09216	6.9
159.04430	10.1
161.06004	7.5
163.03886	32.2
175.11269	3.6
182.79993	3.7
187.03911	100.0
187.11121	6.1
188.07162	4.2
191.08200	36.7
191.31198	3.4
205.04994	51.5
216.07632	5.7
233.11581	6.3
240.01950	4.3
245.11639	5.6
263.13022	3.3
263.16458	6.6
307.12943	39.6
307.63806	4.0
312.47351	3.6
350.13446	46.2
433.09647	3.9
454.52408	4.1
512.18738	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	528.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.7
58.06600	1.3
62.29639	0.4
63.05094	0.4
68.05019	4.2
70.06597	100.0
71.06935	0.6
71.47359	0.6
72.08160	34.1
81.04549	0.5
81.07668	0.4
84.08151	1.3
86.06072	32.4
86.09723	1.5
97.02895	0.7
98.06060	8.2
102.05532	0.5
114.05541	6.7
120.06594	1.1
122.06088	0.4
122.07169	2.3
123.07953	0.7
126.05527	4.1
131.04951	0.6
142.05017	3.9
146.64618	0.6
148.65454	0.5
158.24792	0.5
163.03954	0.9
168.01234	0.4
169.11920	1.2
169.13379	20.3
177.93550	0.5
183.11400	1.7
185.12866	32.4
187.03966	2.0
197.12862	26.7
198.13216	0.6
201.12469	0.7
211.10767	2.4
213.12370	14.9
217.56609	0.5
219.13506	1.4
227.07118	1.1
231.13542	1.2
245.08200	0.5
252.98018	0.6
281.10541	0.7
282.18210	0.5
302.17758	0.5
310.17557	4.7
314.17111	2.3
328.18710	0.6
332.18185	11.0
381.24982	2.3
409.24533	5.7
429.23508	35.8
430.24265	0.6
485.17957	0.5
528.30334	12.4
529.30878	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1345
Annotation	Justalakonin
Peak:m/z	Relative Intensity
53.03934	1.2
55.01875	7.4
55.05499	1.3
57.03442	4.5
60.08127	0.7
61.02894	2.0
63.65481	0.7
65.03898	2.2
68.99763	1.2
69.03431	5.0
69.07026	0.7
70.06596	12.1
71.06915	0.6
71.47835	0.8
72.08163	3.9
73.02903	1.4
78.82777	0.6
79.05448	2.0
81.03431	5.9
81.06994	0.6
83.04941	1.2
84.08160	4.4
85.02911	12.4
85.06507	0.6
86.09712	8.9
87.00804	1.7
87.10004	0.8
91.05487	4.0
93.03403	1.4
93.07004	2.2
95.04904	1.9
95.08565	0.8
97.02871	3.1
99.04424	1.5
100.11240	0.7
103.03907	1.7
103.05438	1.8
104.10735	1.2
105.01868	1.3
105.03424	0.9
105.07004	2.0
107.04967	5.1
107.08581	1.0
109.02237	0.7
109.02885	7.5
109.06497	0.9
110.07140	1.5
111.04403	1.4
115.05408	1.8
117.06973	1.1
118.04214	0.7
119.04949	13.3
119.08524	2.0
120.08048	1.2
121.02876	47.2
121.03840	2.2
121.06469	2.5
121.10112	1.4
123.04375	1.0
125.06004	0.8
127.03920	4.6
129.07051	0.8
129.10181	1.6
131.04916	2.3
133.02809	0.8
133.06396	0.9
133.10060	0.6
135.04376	2.3
135.08038	1.1
136.07497	1.0
137.02390	0.6
137.05957	0.7
139.03860	0.6
141.06911	0.6
143.04904	1.5
145.01968	0.6
145.02870	7.1
145.04939	1.4
145.06494	1.4
145.07687	0.6
145.10062	0.8
147.04343	2.1
147.08038	1.7
149.02351	0.6
149.05969	1.3
151.03883	1.2
155.04933	1.0
157.06441	1.4
157.09959	0.8
159.02890	1.3
159.04382	2.8
161.02318	2.1
161.05904	1.1
161.09613	0.9
163.03912	3.0
163.11198	1.5
165.01826	1.7
165.05484	0.9
165.07033	0.6
167.03423	0.8
169.06476	0.8
171.04372	2.8
173.02371	1.0
173.05954	2.0
175.03914	4.2
177.01846	6.7
177.05402	2.1
179.03377	1.7
179.10748	0.9
181.12187	1.2
183.04414	1.1
184.07323	1.1
185.05910	2.1
187.03891	6.1
187.11214	0.7
189.01833	12.1
189.05449	2.4
190.02586	0.7
191.03401	5.2
193.04971	1.3
195.02898	10.2
197.05960	1.8
199.03937	4.4
201.01794	1.7
201.05511	3.1
202.02536	0.6
203.03415	26.3
203.14285	1.8
205.04973	4.4
207.02878	8.5
207.06552	0.7
207.10175	1.9
209.04324	1.5
211.03896	2.7
213.05435	2.4
215.03392	12.2
216.03951	0.7
217.01308	1.6
217.04959	10.1
219.02832	1.8
219.06444	1.3
221.04422	6.1
223.03752	0.8
223.13246	0.8
225.05406	1.8
227.03375	4.1
228.04152	0.7
229.04997	7.1
230.11371	1.4
231.02930	3.2
231.06554	1.0
233.04451	3.9
235.05937	1.4
237.05417	1.8
239.03418	1.5
241.04822	3.5
243.02921	6.4
243.06581	0.9
245.04366	3.0
245.15390	3.7
251.07050	0.7
253.04961	2.4
254.05606	1.1
255.02927	5.0
255.06642	1.5
257.04410	3.0
261.03915	1.9
263.16489	5.6
265.04938	1.9
265.08527	0.9
267.02890	1.3
267.06506	2.6
268.07480	3.6
269.04440	2.0
271.05890	1.2
273.03925	2.6
277.08765	1.2
279.06549	4.7
280.07242	1.1
281.04526	2.0
281.08090	1.7
281.17447	6.6
282.05270	1.2
283.06018	8.4
284.06812	1.0
285.03961	2.0
285.07254	0.7
289.08566	1.3
291.06656	1.7
292.07312	3.0
293.04672	1.2
293.08051	4.4
294.05222	8.8
295.06027	100.0
296.06711	5.9
297.04208	1.3
297.07614	5.7
299.05554	0.7
301.08734	0.8
303.06317	0.7
304.07230	1.5
305.08078	4.7
306.08810	1.7
307.06036	55.2
307.09412	2.6
308.06738	10.3
309.03915	2.7
309.07510	19.8
311.05551	1.5
313.07263	1.0
317.08096	7.0
318.08853	1.3
319.06039	6.4
319.09387	1.2
320.06793	9.4
321.07593	56.9
322.04666	1.3
322.08246	8.0
323.05493	2.7
323.09137	6.8
325.07062	37.6
329.08121	4.3
331.05954	2.4
331.09720	2.6
332.06656	1.3
333.07574	29.7
334.08221	3.6
335.05438	4.0
335.09085	24.8
336.06290	2.9
336.09720	1.5
337.07043	20.4
337.10574	1.1
339.05060	1.4
339.08710	3.0
341.08099	0.8
343.09686	1.1
344.06934	1.4
345.07574	15.0
345.11639	1.1
346.08188	3.0
347.05542	1.6
347.09171	19.6
348.06226	1.8
348.09906	0.8
349.07074	74.3
349.10327	3.5
350.07550	3.7
351.04807	0.8
351.08643	11.9
353.06427	1.5
353.10315	0.8
355.09122	0.8
357.07532	3.2
359.05273	0.9
359.09195	5.2
360.06238	1.1
361.07062	38.3
361.10626	2.1
362.07684	2.7
363.04254	1.3
363.08630	18.2
364.09335	1.0
365.06564	1.5
365.10260	5.4
367.08057	6.6
371.09155	2.4
373.06943	16.1
373.10904	1.8
374.07837	2.2
375.04504	0.9
375.08679	17.1
377.06378	1.7
377.10602	4.9
379.08145	61.2
380.08447	1.8
383.09125	1.4
385.06873	4.5
387.08655	9.5
389.10376	8.8
391.08099	51.0
392.08438	1.6
393.09799	3.8
395.07755	1.9
397.09213	54.3
398.09634	1.2
399.08731	4.8
401.10266	7.1
403.08160	23.1
404.08307	1.0
405.09872	6.4
407.07553	1.5
409.09225	36.8
410.09457	0.9
411.08646	1.1
415.08838	10.6
416.09299	0.8
417.09705	8.0
419.11517	6.4
421.09247	14.5
427.10394	30.5
429.09647	5.2
433.09238	18.0
437.12408	2.0
439.10287	15.1
445.09235	25.0
446.09299	0.9
447.10834	5.1
451.10281	18.4
452.10678	0.9
457.09149	14.8
463.10214	14.0
465.12088	2.9
469.11404	7.3
475.10312	24.4
481.11362	32.4
482.11523	1.0
493.11328	55.0
494.11734	1.1
499.12143	3.7
511.12408	89.4
512.12750	2.5
529.13416	65.6
530.13751	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.5
55.01868	0.7
55.05499	0.6
57.03425	0.8
58.99577	1.2
68.99786	0.6
69.03447	2.0
69.85764	2.0
70.06593	5.1
72.08148	1.3
73.01148	0.7
76.02222	1.9
81.03403	0.8
84.08173	0.6
85.02913	3.3
86.06071	0.8
86.09695	1.7
87.23122	0.4
88.02216	0.5
91.02158	0.5
91.05468	0.5
97.02882	1.6
97.74052	0.4
98.20824	0.6
100.07645	0.4
105.00078	0.7
113.02332	0.4
115.05427	0.6
118.06559	0.8
119.04931	0.6
122.02729	8.5
127.03865	0.8
128.06233	1.7
129.07027	0.8
130.06522	3.2
131.04936	0.8
133.06454	0.6
143.08574	4.6
144.08098	0.8
147.04416	2.2
153.06990	1.1
155.07347	0.5
155.08559	1.5
156.05717	0.7
159.04411	2.5
159.08028	0.6
161.06007	1.1
163.03929	0.8
164.03853	0.4
169.13336	1.1
171.04337	0.5
171.08070	4.3
172.07576	1.2
175.03915	15.4
175.07466	0.5
176.04625	2.0
183.08080	0.5
184.05223	1.8
184.07733	0.5
185.05983	1.8
187.03835	2.4
187.07590	1.2
189.01859	0.8
189.05463	1.8
189.09143	0.9
190.08600	0.8
197.12849	0.9
199.02110	0.5
199.03935	7.9
199.07544	24.8
201.05479	1.6
203.03383	1.5
203.06963	0.8
205.71283	0.4
211.07918	0.5
212.04707	0.8
215.07036	10.2
216.99596	3.1
217.08598	7.4
227.07033	100.0
228.07350	0.8
229.08685	0.5
245.08104	39.5
259.04257	5.3
277.05304	3.6
286.17743	2.1
331.06320	4.1
348.08942	12.7
366.10110	2.5
446.66296	0.4
491.21463	0.5
519.41071	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.27
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.4
55.01888	6.3
55.05521	13.4
57.03434	6.0
57.07076	6.9
61.02901	2.9
64.77332	3.1
65.03979	3.9
67.05507	24.9
69.03439	44.2
69.07068	10.8
70.06599	8.7
70.77342	7.9
71.04988	7.9
72.08127	4.2
72.39180	2.5
73.02945	5.0
79.05493	12.0
81.03426	28.8
81.07063	29.9
83.04984	7.3
83.08631	4.0
85.02915	38.6
85.06548	72.3
86.09711	6.0
87.00824	16.1
91.05484	12.4
93.07050	21.3
95.04983	5.3
95.08607	33.2
97.02914	15.7
97.06538	6.4
97.10200	3.5
99.04466	12.0
99.08101	78.6
105.01873	9.0
105.07037	32.9
107.08607	23.6
109.02879	21.2
109.06538	18.3
109.10159	20.7
111.08087	6.5
117.07024	5.4
119.08591	38.3
120.08092	5.2
121.06543	5.0
121.10150	36.4
123.08080	11.0
123.11713	9.1
125.06005	5.8
125.09630	25.2
127.03925	29.0
129.01944	4.8
129.07005	5.0
131.08577	11.0
133.06522	4.4
133.10146	21.1
135.08038	3.4
135.11673	8.7
137.05933	5.3
137.09616	10.1
137.13245	3.7
139.11211	5.3
141.62180	3.1
143.08582	8.8
145.04985	8.0
145.10170	12.7
147.08119	4.0
147.11711	39.2
149.09557	3.9
149.13304	5.8
151.11176	4.7
156.09433	3.4
157.10170	10.6
159.02917	8.4
159.08128	3.4
159.11696	15.0
161.09601	6.7
161.13251	11.1
163.11208	4.5
165.09154	6.8
165.12737	19.1
171.11758	9.7
173.13316	7.8
175.14856	8.8
177.12813	4.6
179.14348	15.5
185.13300	15.5
189.12752	5.0
190.13525	3.5
199.14937	13.9
201.16393	18.4
203.14409	7.9
224.85918	2.9
231.05042	4.0
241.19550	9.9
259.17526	4.8
259.20581	100.0
277.17712	9.8
277.21588	10.1
323.42456	3.1
331.36032	3.0
439.23187	24.3
442.74075	2.9
481.24127	44.2
525.22473	90.0
526.24109	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	525.0115
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96523	2.9
71.46554	0.9
71.95243	0.9
98.97589	66.1
105.25096	0.7
116.98629	26.9
134.98817	0.6
134.99661	6.6
198.97621	1.0
214.95464	0.7
216.98894	3.4
232.96626	1.4
235.00035	5.5
240.98834	12.1
241.99072	0.8
256.96634	2.2
258.99854	77.3
260.00027	3.0
261.00247	0.7
261.03024	3.0
264.99078	1.1
274.97894	4.4
277.00891	55.8
277.32327	0.7
278.00967	2.4
280.97061	1.1
283.00006	32.9
284.00162	1.8
284.99774	1.4
292.98813	1.4
298.97867	4.6
299.97723	1.0
300.97586	1.3
301.01056	26.1
302.01129	3.1
303.00821	0.9
316.98947	8.9
322.98068	1.1
340.99197	2.1
359.00186	15.0
360.00269	1.1
364.98846	4.2
382.99985	30.3
384.00049	2.1
400.02817	0.9
401.01132	100.0
402.01331	8.9
403.01263	1.3
419.02368	7.0
424.02728	2.4
425.01279	2.4
440.99438	1.5
441.99033	1.2
443.02423	3.5
444.02628	1.1
450.57523	1.0
460.00317	1.3
483.00333	0.8
500.97516	0.8
506.48819	1.0
507.00201	6.9
516.96130	0.9
525.01331	66.8
526.01453	8.4
542.99207	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21721	1.8
55.05508	11.1
57.03440	11.1
57.07064	3.5
59.04985	5.6
65.03929	2.1
67.05508	100.0
69.07066	7.2
70.61718	2.8
70.62076	3.3
71.04995	3.3
71.08613	2.2
79.05497	24.8
81.07060	39.3
83.08624	6.5
84.59518	1.6
85.06543	3.2
87.04462	2.0
91.05484	14.3
92.89716	1.7
93.07051	29.0
95.08610	27.1
105.07025	8.9
107.08616	14.1
107.37048	1.6
109.06525	2.1
109.10161	74.5
111.08077	4.4
117.07026	3.1
119.08604	9.3
121.10149	11.6
123.11686	4.3
131.08505	1.9
133.10168	4.4
135.11678	7.6
137.09549	4.2
145.10109	2.9
146.29419	1.4
147.11693	4.5
149.13206	5.0
155.10687	5.2
159.11696	2.6
161.13281	3.7
173.11781	21.3
173.13190	3.6
187.14810	1.5
227.12631	2.2
229.14351	60.3
229.16606	3.5
240.05789	1.6
243.21001	5.4
261.22183	12.8
272.37039	1.9
283.03818	1.5
317.24622	3.7
335.25827	53.0
335.29901	2.7
373.99515	1.9
489.28986	3.3
489.35803	55.7
524.23895	2.1
524.40131	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	524.3715
Annotation	PAF C-16
Peak:m/z	Relative Intensity
51.51676	0.2
56.05043	0.5
56.89872	0.2
57.07074	0.5
58.06596	0.3
59.26381	0.2
60.08167	5.0
62.10575	0.2
63.86697	0.2
67.05494	0.2
71.07373	3.1
71.08619	0.4
81.07073	0.4
83.08639	0.2
86.09710	29.7
93.80975	0.2
95.08586	0.3
98.98463	3.2
104.10746	2.7
124.98672	0.3
125.00011	21.9
184.07347	100.0
185.07605	0.4
205.90048	0.2
271.22324	0.2
282.66379	0.2
285.06659	0.2
335.56958	0.2
341.30411	0.3
506.36047	1.0
524.36932	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	524.3714
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05530	0.5
56.05025	1.4
57.03447	0.5
57.07075	2.8
58.06606	1.1
60.08168	18.6
61.07969	0.3
62.14099	0.3
62.41169	0.3
67.05517	0.5
69.07084	0.5
70.99067	0.8
71.07385	6.8
71.08647	2.0
72.17479	0.3
81.07043	0.5
85.10182	1.1
86.09713	49.9
95.08607	0.5
97.10149	0.4
98.98468	3.9
104.10752	99.8
105.11073	0.5
125.00016	28.5
134.52347	0.4
163.01591	0.7
184.07356	100.0
203.31972	0.3
211.91179	0.4
229.51524	0.3
258.11032	0.7
310.22836	0.4
341.30597	0.9
447.28900	0.5
506.36191	8.1
524.37146	27.3
525.37170	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.4
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82742	1.3
53.03952	2.6
55.05513	16.3
57.03437	2.6
57.07079	45.2
62.42848	1.2
67.05508	38.8
69.07069	21.0
70.55721	1.3
71.04988	3.3
71.08634	28.3
71.49263	1.3
71.49629	2.5
79.05499	18.3
81.07060	100.0
83.04990	7.1
83.08625	20.4
85.06535	5.1
85.10191	17.3
87.06016	1.3
91.05483	18.3
93.07043	12.3
95.04959	2.9
95.08612	40.2
97.06524	4.7
97.10193	6.5
99.08093	3.5
104.10757	2.2
105.07037	31.2
106.68853	1.4
107.08599	9.9
109.06532	4.7
109.10163	12.4
119.08585	26.7
121.10142	18.9
123.08070	2.9
123.11710	33.7
127.07539	2.6
131.08545	1.8
135.11670	1.6
137.13237	3.1
145.10149	1.6
147.11693	68.6
151.14833	1.4
165.12755	39.3
168.99126	1.3
175.11282	1.2
183.13826	5.9
193.12288	2.4
212.83397	1.3
221.22624	1.6
229.14362	6.1
239.23769	7.7
250.42430	1.6
267.15933	52.2
285.17004	2.0
313.27621	1.7
326.99472	1.5
467.26340	1.5
523.33624	40.7
523.39978	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	524.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	5.9
57.03438	3.3
57.07078	48.6
67.05515	16.3
69.07063	12.6
70.98500	7.8
71.08639	36.9
77.81122	3.5
81.07050	21.0
83.08626	14.1
85.02908	5.0
85.10204	16.4
95.01289	5.7
95.08627	25.5
106.26190	3.3
107.08585	4.4
109.10176	9.0
111.11680	4.7
123.11704	7.8
137.13235	4.9
141.01845	5.7
156.42720	3.3
193.12062	4.3
211.13251	4.2
239.23712	26.2
257.24847	6.4
313.27399	100.0
331.28476	13.6
389.47797	3.8
524.20050	3.8
524.40521	5.4
525.21381	7.6
535.08893	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	523.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30080	1.0
53.03951	1.9
53.07409	1.0
55.05518	17.9
57.03432	2.1
57.07080	43.1
58.90269	1.0
59.05010	1.3
60.97592	1.1
65.03931	2.6
67.05511	40.8
69.07071	20.9
69.24170	10.1
71.04993	3.1
71.08636	32.3
77.35218	1.0
79.05499	19.4
81.07063	100.0
83.04995	5.7
83.08629	18.5
84.31657	1.0
85.02879	1.1
85.06549	4.3
85.10189	18.1
89.06078	1.4
90.25898	1.1
91.05486	23.5
93.07050	10.8
95.04970	1.7
95.08612	40.2
97.06544	5.0
97.10171	6.8
99.08113	2.2
99.11733	1.5
101.05921	1.1
105.07040	31.2
107.08597	9.3
109.06544	4.5
109.10165	12.5
113.05997	1.2
117.07090	1.5
119.08597	23.9
121.10156	18.9
123.08075	4.7
123.11715	34.1
125.13234	1.2
127.07606	2.6
133.10205	1.2
137.13286	3.2
139.14992	1.1
141.09105	1.3
145.10162	1.3
147.11699	61.8
165.12766	38.5
175.11226	1.8
183.13873	4.5
193.12343	1.7
229.14452	6.5
239.23703	7.7
267.15924	47.0
267.42749	1.1
285.17004	1.3
426.32233	1.3
523.39996	99.7
524.40002	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3561
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31979	0.2
55.05507	0.6
56.05037	0.6
57.07064	0.2
58.06616	0.5
59.07381	0.3
60.08169	6.6
67.05505	0.4
69.07062	0.8
70.06609	0.3
71.07381	3.8
81.07057	0.6
86.09711	32.9
87.10046	0.2
93.07059	0.3
95.08605	0.4
98.98473	3.9
104.10744	2.7
107.74152	0.2
125.00014	22.6
161.73788	0.2
184.07350	100.0
185.07663	0.3
229.20921	0.2
233.81621	0.2
339.29065	0.3
504.34521	1.3
522.35413	1.6
523.22479	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56052	0.3
55.05508	1.9
56.05040	1.5
57.03425	0.4
57.07076	0.4
58.06575	1.5
59.07376	0.4
60.08167	17.3
62.82191	0.3
67.05492	1.3
69.07066	2.5
69.15726	0.3
71.06989	0.5
71.07372	6.9
71.08649	0.4
71.48784	0.3
79.05486	0.7
81.07054	1.3
83.08624	1.1
86.09707	51.7
93.07041	0.7
95.08603	1.4
97.10155	0.7
98.98467	4.6
104.10744	100.0
105.11076	0.6
107.08635	0.4
109.10114	0.5
114.15305	0.4
121.10182	0.4
125.00007	29.1
143.01147	0.3
163.01588	0.4
181.02409	0.4
184.07344	95.1
185.07706	0.4
189.76395	0.3
207.88281	0.3
233.22975	0.3
237.58554	0.4
257.16153	0.4
258.10989	0.9
297.78824	0.4
339.28970	1.3
445.26947	0.3
504.34467	7.6
522.35541	22.7
523.35699	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87003	0.7
53.03946	1.8
55.01875	1.4
55.05508	3.2
61.75270	0.8
65.03950	1.0
67.05511	14.4
68.49110	0.8
69.03441	4.9
69.07057	2.8
70.06600	5.9
70.41711	2.5
71.05002	0.9
79.05486	2.9
80.28745	0.7
80.98229	0.7
81.03426	10.2
81.07065	10.2
84.08143	1.3
85.02905	2.2
85.06545	1.4
86.09712	1.9
87.00800	0.9
91.05487	2.6
93.07042	3.2
94.02712	0.9
95.05016	4.4
95.08606	8.1
97.02893	4.3
97.35731	0.8
98.97606	1.5
99.04430	1.7
100.92467	0.7
104.43158	0.9
105.07023	2.2
107.04967	1.4
107.08610	3.9
109.02897	8.4
109.06492	1.4
109.10166	29.0
119.08585	3.8
120.08119	2.6
121.06483	1.2
121.10139	1.9
123.04445	11.0
123.11713	1.1
123.45319	0.8
124.28778	0.8
125.06025	1.7
125.09643	2.9
127.03915	5.7
131.08600	1.3
133.01947	1.4
133.02863	10.6
133.10120	1.7
135.04390	1.8
135.08032	1.5
137.06010	1.3
137.09630	53.2
137.13234	0.9
145.10216	0.9
147.11699	1.2
151.03960	4.8
155.10696	3.7
159.11702	1.1
163.11212	0.9
165.09128	43.0
166.92110	0.8
179.03415	100.0
180.03793	1.2
183.10161	3.0
201.11227	3.4
247.24390	0.8
275.19962	0.8
309.13422	5.7
327.14374	6.6
343.11703	1.5
368.77151	0.9
455.19220	1.2
479.22748	1.4
505.30627	1.4
523.21692	4.4
523.28473	1.1
523.31750	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	521.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87985	1.8
52.40543	1.6
53.03948	3.8
55.01854	2.0
55.05517	61.2
56.96063	2.0
57.03443	2.4
57.07086	16.4
59.37202	1.9
61.36327	1.8
67.05508	37.0
67.05845	3.5
69.03456	2.6
69.07074	65.8
70.54108	1.7
71.04986	3.8
71.08645	13.4
79.05498	24.7
81.07065	100.0
83.04991	7.0
83.08628	49.3
85.06557	7.9
85.10206	3.2
88.50222	2.0
91.05482	25.8
93.07047	20.3
95.05045	2.3
95.08610	23.1
97.06550	6.9
97.10177	35.1
99.08115	3.1
105.07043	37.9
105.07688	2.9
106.91322	2.0
107.08597	11.9
107.09235	1.6
109.06567	4.4
109.10226	4.3
111.08141	3.1
111.11688	10.7
119.08593	31.1
121.10151	27.3
123.08141	2.9
123.11710	37.1
123.60709	1.7
125.13319	3.1
127.07574	4.2
135.11751	4.3
137.13297	2.9
145.10161	2.9
147.11699	84.8
148.12036	1.8
165.12767	42.0
171.11708	2.3
183.13850	3.4
185.13283	2.4
192.71762	1.8
193.12239	3.3
221.15366	2.3
229.14444	5.5
237.22264	6.6
267.15942	50.0
285.16962	2.8
310.42529	2.1
384.12003	2.2
407.76993	2.7
521.38293	85.6
522.38861	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	521.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.5
55.01868	5.2
55.05514	20.7
55.92160	3.2
57.03425	10.7
57.07079	6.2
65.03923	3.7
65.23849	3.1
67.05511	43.7
69.03434	31.9
69.06790	3.0
69.07076	35.7
70.06589	15.5
70.68037	7.7
70.68411	6.7
71.04984	8.8
72.08147	9.6
72.34743	3.0
73.02919	4.7
79.05493	29.4
81.03442	19.3
81.07065	100.0
82.05322	5.6
83.04964	12.0
83.08613	8.5
84.08154	6.5
85.02914	20.0
85.06557	17.9
86.09699	14.9
87.00846	5.8
91.05468	25.9
93.07051	54.0
95.04984	16.1
95.06086	10.2
95.08611	74.7
97.02892	14.2
97.06537	9.5
97.10164	13.4
99.04437	6.5
99.08126	5.0
103.05460	6.4
105.01830	5.7
105.07033	43.7
107.04937	5.6
107.08607	51.1
109.02869	12.8
109.06499	15.5
109.10165	46.2
110.07163	4.0
111.08086	19.5
111.11726	5.8
113.09709	5.6
115.05420	6.0
117.03375	4.7
117.07027	6.9
119.04939	5.3
119.08581	31.9
120.08089	10.3
121.06477	7.1
121.10150	37.8
123.08061	7.9
123.11714	41.4
125.09646	30.1
127.03905	15.7
127.07534	3.6
128.06113	3.4
129.07037	7.3
131.04913	7.5
131.08575	13.1
133.10114	28.0
134.10442	4.6
135.08047	10.2
135.11703	19.0
137.05989	20.1
137.09590	14.9
137.13206	9.2
139.07574	3.5
139.11136	9.5
140.88658	3.2
141.06969	3.8
143.08589	7.8
145.02863	11.0
145.04961	4.2
145.10101	15.7
147.08058	6.2
147.11697	17.2
149.05997	4.9
149.09605	12.8
149.13266	26.2
151.03896	4.1
151.11172	7.9
153.12823	6.6
155.08615	3.8
155.10684	3.6
157.10176	10.1
157.12253	8.5
159.08029	4.3
159.11714	16.7
161.06004	8.9
161.09596	8.2
161.13258	10.7
163.07545	4.1
163.11131	5.3
163.14819	7.9
165.09129	8.6
165.12679	6.1
167.07126	3.8
167.10710	5.0
173.09520	5.5
173.13234	13.8
175.11200	6.2
175.14796	9.8
177.05464	24.4
177.16405	4.8
179.14432	3.9
185.13229	8.7
187.13321	10.9
187.14839	4.8
189.16483	3.7
191.14331	5.5
199.11267	4.5
201.12675	4.2
201.16377	6.6
207.13837	3.7
213.04083	3.8
215.18022	6.1
219.17348	4.5
220.17645	4.5
221.15346	4.8
227.17723	4.0
237.18452	11.7
238.19022	5.4
256.14301	5.3
257.14960	4.5
273.20694	7.7
293.24731	4.7
301.13943	9.7
302.14273	7.1
305.24719	20.7
323.25809	13.5
381.27832	7.0
399.28787	8.5
417.29971	5.9
485.28842	5.0
503.29855	5.4
521.19830	42.6
521.31348	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	521.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25898	0.5
53.03917	0.6
55.01873	3.2
55.05511	3.1
56.05062	0.6
57.03423	1.0
67.05494	2.4
67.45232	0.5
69.03432	18.9
69.07062	3.3
70.06582	2.2
71.04983	2.0
71.49127	0.7
72.08153	0.6
79.05499	2.2
81.03421	1.6
81.07072	4.9
83.04988	2.2
83.08623	0.7
84.04525	0.9
84.08157	0.8
85.02910	3.2
85.06551	7.3
86.09702	4.4
87.00833	1.5
91.05484	2.1
93.07037	3.2
95.04921	0.8
95.08606	3.5
97.02871	1.0
97.06525	1.4
99.08096	1.8
103.05476	0.6
105.01873	1.2
105.07033	3.2
107.08601	4.5
109.02881	1.5
109.06529	0.8
109.10148	2.4
111.08085	3.6
113.09656	2.0
115.03983	0.5
115.05476	0.5
115.07568	0.6
119.08586	1.7
120.08112	3.3
121.06483	0.8
121.10146	2.4
123.08075	0.6
123.11737	1.5
125.09634	100.0
126.09982	1.1
127.03931	2.7
131.08591	0.7
133.10149	1.5
135.08080	1.1
135.11710	1.2
137.05963	2.2
139.11183	0.8
143.10725	0.8
145.04918	0.7
145.10138	1.6
147.04362	0.7
147.11667	0.9
149.13237	1.5
151.11154	0.6
153.01855	2.3
153.12698	0.8
159.02916	0.8
159.11742	1.6
161.06024	0.9
161.09592	0.7
161.13300	1.5
163.07483	0.7
163.11061	0.5
201.16451	1.1
212.09381	0.9
215.14043	0.5
219.17491	1.6
227.11461	0.5
237.18483	10.0
255.11316	1.8
255.19562	8.1
271.06067	2.4
272.06448	1.6
273.06882	3.0
273.12344	1.3
273.20633	10.3
277.11948	0.9
323.09161	0.6
359.11258	0.5
365.31387	0.5
374.18216	1.6
469.54449	0.5
486.56598	0.6
521.18463	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03765	0.7
64.65275	0.6
65.16637	0.7
67.05511	1.5
69.36568	2.7
69.36971	2.0
79.05499	1.3
81.07084	0.8
83.09059	0.7
85.02892	0.7
86.09731	0.6
91.05437	1.1
95.73095	0.6
102.16419	0.8
105.07014	1.1
107.08601	0.7
129.07016	0.7
133.06506	0.7
135.08015	0.7
141.06969	0.7
142.07867	0.7
145.06444	0.9
145.10146	0.7
153.07005	0.8
154.07797	1.1
155.08516	1.6
159.08125	0.9
161.05962	1.0
165.06984	1.1
167.05516	1.0
169.06470	1.1
170.07329	0.6
171.08072	1.0
172.08821	1.0
173.06030	2.0
173.09641	1.3
175.07530	1.0
182.07272	1.4
183.08070	3.2
185.05971	2.6
185.09622	1.0
186.03059	0.9
187.07533	0.6
188.08287	0.8
189.05463	2.1
189.09209	0.9
194.07271	1.4
196.65794	0.6
197.05977	1.0
197.09695	0.8
198.06740	0.8
199.07564	3.7
200.08357	1.1
201.05434	6.2
201.09146	6.9
203.10693	3.9
210.06691	3.1
211.07550	3.9
212.08403	1.1
213.05484	9.1
213.08910	0.7
215.10698	2.4
219.90440	0.6
225.09120	11.6
227.07027	5.4
228.07816	28.6
237.30898	0.6
241.12209	1.5
243.10193	100.0
244.10599	1.3
245.08215	0.9
261.11203	4.1
267.10162	1.8
295.09790	1.3
319.13211	0.8
333.11221	1.9
347.12695	1.1
349.14334	3.4
352.97769	0.7
355.51358	0.7
364.16718	1.1
375.12167	6.3
390.14584	3.3
391.15515	1.0
393.13376	1.7
431.22290	1.4
439.18600	0.9
457.20383	1.5
477.22745	8.3
485.19760	3.6
503.20728	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
54.16009	0.4
55.01884	0.5
56.05027	0.5
69.03418	1.0
70.06594	7.2
71.13539	1.0
72.08145	1.9
77.03919	1.0
77.87299	0.5
79.05486	1.2
84.04494	1.3
84.08126	1.6
85.02882	1.0
85.06561	0.6
86.09726	3.1
91.05499	1.2
95.04964	1.1
101.07144	0.7
103.05473	53.7
104.05790	0.6
104.30809	0.5
105.07042	4.6
109.02876	0.6
111.08065	0.5
115.05450	0.7
116.07087	0.5
119.04955	1.1
120.08109	1.6
121.42111	0.4
125.09671	0.9
127.03923	0.5
129.10204	0.6
130.04976	0.7
131.04936	100.0
132.05309	0.8
133.06505	3.9
136.07590	0.9
137.05986	3.5
143.06102	0.6
147.04413	1.1
156.69463	0.5
161.05997	9.1
163.07553	28.0
166.04890	0.6
175.07561	0.8
178.63493	0.5
179.07014	0.6
187.07574	0.9
191.14418	0.6
276.26962	0.6
279.10321	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12042	2.9
61.79695	3.4
63.07954	2.7
69.80216	16.2
70.06602	4.8
71.63823	3.7
79.65986	2.9
79.70479	3.7
82.61585	2.8
86.13101	3.1
100.82912	3.6
105.70789	3.2
118.06568	18.7
127.21297	3.4
132.08130	6.4
144.08095	12.3
144.34447	3.3
146.06030	62.1
163.03963	3.6
169.16844	3.0
170.06015	5.2
176.94626	3.1
188.07083	100.0
205.09760	38.1
280.30945	3.6
391.73166	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	521.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.7
53.03948	1.2
54.53228	0.5
55.01868	0.7
67.77590	0.6
69.03446	0.6
70.06592	4.2
70.73851	1.4
72.08154	2.2
78.57317	0.6
81.03437	0.7
84.04514	1.2
84.08156	1.4
85.02911	1.6
86.09709	1.7
91.05486	1.5
95.04987	1.0
95.89172	0.6
103.05473	55.3
104.05760	0.7
105.04524	0.8
105.07035	3.9
107.04968	1.1
109.02861	0.9
115.05464	0.7
119.04951	1.0
119.35535	0.5
120.08099	0.6
123.62279	0.6
125.09658	0.7
127.03918	0.9
131.04939	100.0
132.05264	1.6
133.06523	3.1
136.07596	0.6
137.05984	3.9
142.70576	0.6
147.04506	0.9
161.06006	9.5
163.07553	31.6
164.06660	0.6
164.07925	0.9
175.07530	1.3
179.06995	0.8
187.07564	1.3
238.11664	0.8
279.10190	0.6
281.73660	0.6
304.43179	0.7
311.12790	0.6
356.36594	0.6
452.71088	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1299
Annotation	6-Methoxykaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
50.04648	0.4
53.03948	1.0
55.01870	1.1
55.05507	0.8
57.03438	0.5
59.49887	0.4
60.74606	0.4
61.02936	0.5
67.01865	3.7
67.05490	0.8
68.99782	2.3
69.03434	4.3
69.07075	0.9
70.06590	1.8
71.04996	0.7
71.48706	0.4
72.08137	0.5
73.02929	0.5
78.31477	0.4
79.05492	1.1
81.03416	3.8
81.07059	2.0
84.04469	0.6
84.08141	0.7
84.12675	0.4
85.02913	5.0
85.06539	0.9
86.09700	4.0
87.00826	1.5
91.05480	2.9
91.77738	0.4
93.07058	1.2
95.04954	1.0
95.08596	1.3
97.02920	2.0
99.04455	0.6
103.05492	0.4
105.01846	1.4
105.07037	1.3
107.04946	1.9
107.08587	1.7
109.02895	2.4
109.10158	1.2
111.00793	0.5
111.04391	0.4
111.08062	0.7
117.07030	0.6
118.59024	0.4
118.83550	0.3
119.04946	6.7
119.08560	0.9
120.08112	2.3
121.06541	2.4
121.10147	0.9
123.04435	1.8
123.11692	0.4
125.02405	0.5
125.09637	5.0
127.03926	4.2
129.00885	0.4
129.01849	1.1
131.04942	0.5
133.10045	0.6
135.08044	1.2
135.11725	0.6
136.07631	0.5
137.05983	2.2
137.09543	0.5
145.04945	1.1
145.10100	0.5
147.04417	22.0
151.03908	0.9
153.01833	100.0
154.02219	0.9
157.10149	0.6
159.02914	1.3
159.11714	0.7
161.06000	0.8
161.13232	0.5
167.77553	0.4
171.02898	17.2
171.11809	0.6
179.03406	2.6
191.03233	0.5
195.02914	1.4
199.11055	0.4
215.13983	0.4
219.02916	0.5
237.18477	0.8
240.95938	0.5
251.06929	0.4
255.06453	0.5
255.19540	0.6
271.06018	1.9
272.06375	1.3
273.07584	98.7
273.20660	1.2
274.08008	1.4
296.10287	0.4
401.07056	0.5
521.18329	0.6
521.32629	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.1
56.05042	1.7
57.03450	0.4
58.06581	1.5
59.07394	0.3
60.08166	17.4
65.03935	0.3
67.05508	3.2
69.07076	1.2
69.13957	0.4
69.14352	2.5
70.06598	0.4
71.06989	0.5
71.07377	7.2
79.05493	1.1
79.05965	0.2
81.07069	2.5
83.08623	0.6
86.09710	52.7
91.05490	0.4
93.07057	0.7
95.08615	1.9
98.98472	5.2
104.10749	100.0
105.07069	0.4
105.11054	0.3
107.08630	0.4
109.10190	0.5
121.10205	0.2
125.00011	29.0
129.40665	0.2
163.01585	0.6
166.06242	0.3
181.02615	0.3
184.07349	97.1
185.07735	0.5
258.11133	1.4
258.13489	0.2
297.06650	0.2
323.74997	0.2
337.27454	0.9
443.25552	0.4
502.32962	7.8
520.34009	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	520.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.3
56.05031	0.6
57.03447	0.2
58.06630	0.4
59.07405	0.1
60.08166	6.7
67.05506	0.7
69.07067	0.3
70.06586	0.2
71.07380	3.7
79.05505	0.2
81.07063	0.3
83.08624	0.2
86.09708	33.1
86.31979	0.1
87.10037	0.2
91.05509	0.1
93.07037	0.1
95.08609	0.4
98.21562	0.1
98.98466	3.6
104.10744	3.3
105.07073	0.1
107.08596	0.1
109.10162	0.2
121.10146	0.1
125.00008	23.4
143.01053	0.2
184.07344	100.0
185.07701	0.4
258.11011	0.3
263.98193	0.1
337.27322	0.1
502.32828	1.0
520.26685	0.1
520.34094	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1498
Annotation	Lantanoside
Peak:m/z	Relative Intensity
51.97592	0.3
53.03947	0.7
55.01868	0.5
55.05502	0.4
59.01681	0.4
66.50014	0.3
68.99759	0.4
69.03446	1.8
69.07056	1.0
71.48825	0.4
72.82758	0.3
73.02903	0.5
79.05476	0.5
81.03421	2.3
81.07053	0.4
81.48976	0.3
85.02917	2.9
87.00811	1.3
91.05490	0.9
93.07014	0.5
95.08573	0.5
97.02869	1.3
97.74730	0.3
99.04439	0.9
103.05473	0.9
105.01861	0.9
105.07015	0.5
107.08584	0.4
109.02888	2.5
115.05489	0.9
117.07012	2.7
119.08548	0.6
121.10130	0.5
127.03929	2.7
128.06190	0.9
129.06999	1.0
131.04932	12.0
135.04442	0.7
145.05185	0.7
145.06493	6.6
147.04431	0.6
149.13359	0.5
155.04933	0.7
155.06068	0.4
157.06441	0.5
159.03102	0.8
159.04419	20.8
171.11700	0.3
173.05998	12.2
185.05966	0.9
187.03914	17.6
199.07605	0.4
201.05472	5.6
203.03404	7.4
209.52284	0.4
215.03394	100.0
216.03818	1.0
225.09227	0.4
228.03908	0.4
229.04968	63.9
230.05276	1.1
271.09656	78.0
272.09882	1.4
283.06030	0.4
299.05969	0.4
305.17157	0.3
313.07068	0.4
458.80273	0.4
519.30292	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	3.5
57.03424	2.0
61.02906	1.5
69.03423	6.1
69.53316	11.2
70.06593	3.7
72.08136	3.2
73.04732	2.0
78.99466	1.3
79.20737	1.5
81.03415	2.6
82.99825	3.7
84.04521	2.3
84.08144	3.3
84.96035	2.1
85.02901	12.6
89.00928	1.7
89.03928	4.6
97.02899	4.4
98.97598	10.3
101.00891	22.2
110.97556	2.3
113.00857	9.6
115.02427	3.4
116.98569	2.6
117.03364	3.4
119.01926	29.5
121.06490	1.7
127.02428	2.8
127.03917	4.6
129.03981	4.2
131.01926	19.2
131.05553	14.2
133.03493	3.9
135.04405	3.6
137.00909	3.4
143.01904	100.0
145.03470	6.8
145.04979	5.2
146.02315	2.4
146.99635	2.1
147.01382	2.6
147.05154	2.7
149.06563	8.3
155.01907	34.5
155.05531	3.9
157.03473	2.4
158.99648	4.0
159.05106	4.0
161.02966	79.7
161.27849	1.7
163.03908	24.9
164.04266	2.8
167.05557	5.6
169.07124	2.9
170.99641	1.9
171.04985	2.7
173.02988	19.7
173.06619	27.6
175.04533	3.2
177.04126	6.1
177.06102	3.1
184.04587	2.3
185.02983	5.5
185.06596	36.4
186.04674	3.1
187.08176	4.5
189.00761	1.7
189.62206	1.5
191.07640	7.0
197.06549	3.1
199.08220	2.8
201.06007	1.8
203.04044	11.1
203.07666	14.9
208.88487	1.6
209.06598	1.9
215.07620	14.0
219.01784	5.7
221.05045	18.6
227.07816	3.6
233.08810	3.2
237.02809	3.1
245.05006	3.9
255.03563	2.2
257.08725	6.5
259.00928	2.5
261.03036	4.0
262.03690	1.7
262.09134	1.7
266.99966	2.1
267.07312	5.3
275.09753	36.4
279.03860	2.2
281.07047	4.7
281.57104	1.7
293.10806	85.2
294.11142	2.2
297.05634	1.8
299.06216	3.6
345.10291	12.2
348.10223	1.8
353.07724	1.6
363.11331	22.8
365.09479	1.8
431.14001	8.3
501.14560	37.3
519.08514	2.4
519.15649	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	519.1138
Annotation	Apigenin 7-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
55.01871	0.2
55.05499	0.2
56.97519	0.1
57.03438	0.1
66.61605	0.1
67.01857	0.4
67.05482	0.1
68.99799	0.3
69.03419	0.4
69.82997	0.1
70.06580	0.3
70.70512	0.4
79.05463	0.1
81.03413	0.2
81.07047	0.4
85.02913	0.4
86.09708	0.2
87.00827	0.1
91.05477	0.5
93.07037	0.2
95.08574	0.1
97.02856	0.1
99.04430	0.2
105.07035	0.3
109.02861	0.2
109.10176	0.1
119.04933	1.7
121.02908	0.6
125.09637	0.3
127.03886	0.2
129.01854	0.2
133.10146	0.2
137.05978	0.5
143.08429	0.1
145.02855	0.6
149.09662	0.2
153.00571	0.2
153.01834	4.2
153.17615	0.1
157.52136	0.1
159.11545	0.1
163.03914	0.5
171.02914	0.3
175.07477	0.1
178.05132	0.1
187.04002	0.2
212.11104	0.1
213.03693	0.1
225.05479	0.3
226.00969	0.1
229.04964	0.2
232.09750	0.2
243.06596	0.3
271.06015	100.0
272.06357	1.8
283.06049	0.6
295.06207	0.1
299.06168	0.2
309.07605	0.1
313.07071	0.6
323.09030	0.1
337.06784	0.2
386.88684	0.1
433.11246	1.3
501.10355	0.2
519.11395	2.0
519.19244	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1133
Annotation	Apigenin 5-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
50.91171	0.1
55.01874	0.2
67.01855	0.2
67.05501	0.3
67.41049	0.2
68.99792	0.4
69.03424	0.5
69.07066	0.3
70.06602	1.2
71.49156	0.2
72.08148	0.3
73.04753	0.2
74.06068	0.2
79.05493	0.3
81.03414	0.5
81.07062	0.3
84.04507	0.2
84.08146	0.4
85.02921	0.9
86.09698	0.6
91.05465	1.5
93.07034	0.2
95.04968	0.4
95.08595	0.2
97.02895	0.4
99.04443	0.4
103.05453	0.3
105.01905	0.2
105.07021	0.5
107.04961	0.3
107.08588	0.2
109.02859	0.5
109.06531	0.2
111.00806	0.2
115.05421	0.2
117.07011	0.2
119.04943	0.6
119.08567	0.3
120.08086	0.5
121.02867	0.6
125.09641	0.4
127.03902	0.7
129.07042	0.2
131.04933	0.5
133.02882	0.2
133.10092	0.3
135.04274	0.2
137.05988	1.8
141.06950	0.5
145.02856	1.8
145.04906	0.2
145.06410	0.2
147.04460	0.4
147.08080	0.2
149.02339	2.2
151.07513	0.3
153.01839	6.5
159.03041	0.2
159.04401	0.8
159.07933	0.2
161.05988	0.6
163.03943	0.2
165.01877	0.9
166.15945	0.2
167.05638	0.4
167.07065	0.4
169.06505	1.1
170.09373	0.2
173.05986	0.3
175.07588	0.3
177.05449	0.2
183.02902	0.3
183.04424	0.3
187.03958	0.2
187.07565	0.6
197.06058	1.3
215.07045	5.7
225.05496	0.6
227.07066	0.3
229.05038	0.3
243.06526	3.2
253.05011	1.6
253.17944	0.2
271.06021	100.0
272.06332	1.2
283.06058	2.0
284.06827	0.5
295.06198	0.8
297.07687	0.3
297.10944	0.2
299.06033	0.3
309.07562	0.3
311.05518	0.2
313.07059	2.6
317.11459	0.4
321.10684	0.2
323.09119	0.3
335.12741	0.3
337.06946	0.9
351.08405	0.2
379.08102	0.8
397.08865	0.3
415.10577	0.2
433.11084	0.4
448.15237	0.2
468.85971	0.2
475.11276	0.2
483.09116	0.4
501.10278	0.5
501.18515	0.3
519.11310	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1137
Annotation	Genistein 8-C-glucoside 6''-O-malonate
Peak:m/z	Relative Intensity
61.02921	1.4
68.99789	3.7
69.03428	0.9
69.42619	5.1
81.03409	2.4
85.02901	7.0
87.00815	1.5
91.05470	2.1
97.02901	0.8
99.47678	0.9
103.03919	1.4
109.02879	2.5
117.54797	0.8
119.04936	4.9
121.02875	9.7
129.01820	0.9
131.13445	0.8
141.01808	1.3
145.02846	3.3
147.04364	1.1
149.02371	4.6
157.65973	1.0
163.03891	4.9
165.01842	13.9
167.03406	3.5
177.01839	2.8
181.04945	1.7
183.02844	2.1
187.03928	3.6
191.03394	1.5
195.02904	2.0
205.05003	1.7
215.03439	1.7
229.05006	1.9
233.04520	1.3
239.06981	1.9
242.05730	1.2
243.02988	2.0
255.06573	1.6
256.07376	2.2
267.06534	10.7
270.05219	5.6
271.06036	4.9
279.06512	2.8
281.04764	1.2
281.08063	12.3
283.06006	62.0
284.06750	12.6
285.07248	1.4
295.06018	17.9
295.09607	6.5
297.04163	1.7
297.07559	5.2
305.08127	5.7
307.06024	3.8
308.06726	5.7
309.04022	2.0
309.07513	30.8
311.05637	1.2
313.07059	100.0
314.07376	1.7
321.07642	1.6
323.05579	1.3
323.09100	27.7
333.07617	11.1
337.07068	46.8
338.07471	1.5
349.06934	1.0
351.08649	5.1
361.07031	14.5
367.07944	1.7
379.08118	58.2
380.08240	1.4
393.09805	0.8
397.09274	5.2
415.10214	3.4
421.09280	1.7
439.10181	4.9
465.08167	3.4
483.09207	30.5
501.10345	9.3
519.11444	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	519.1136
Annotation	Genistein 8-C-glucoside 6''-O-malonate
Peak:m/z	Relative Intensity
53.03927	0.9
60.92439	0.7
65.75936	0.6
68.99759	1.8
69.03406	1.2
71.15521	1.0
71.15856	1.1
79.01828	1.4
81.03378	2.2
85.02875	3.0
87.00826	1.4
91.05452	0.9
103.03900	2.1
109.02857	1.3
119.04961	3.3
121.02022	0.8
121.02869	15.2
121.99337	0.7
129.01845	0.9
141.01785	1.6
145.02827	2.1
149.02280	0.8
153.01804	1.1
163.03905	2.2
165.01849	12.2
171.02890	1.3
177.01819	1.5
179.03394	1.2
183.02872	1.8
187.03831	1.0
195.02930	1.3
197.06076	1.0
202.06224	0.8
205.01353	0.8
211.07539	1.3
213.05428	2.9
215.03503	0.9
217.05101	1.0
227.07024	1.1
228.07721	0.7
238.06268	1.1
239.06946	0.7
243.02901	0.8
243.06497	1.9
255.06485	5.0
256.07327	7.4
259.06049	1.4
267.06509	2.1
268.07120	1.0
270.05219	1.3
271.06030	6.3
279.06512	1.3
283.06024	64.1
284.06787	28.9
285.07465	2.9
295.06033	34.0
296.06293	1.0
297.07565	13.2
298.04495	0.8
305.08145	1.0
307.06134	2.7
308.06726	2.3
309.07529	5.5
311.05557	3.4
313.07071	100.0
314.07440	2.3
323.05487	1.9
323.09155	7.3
325.07172	4.7
327.08664	1.1
333.07568	2.7
337.07053	18.3
343.08157	4.1
349.07007	1.4
351.08493	3.2
355.08261	1.1
361.06989	4.5
367.08112	2.3
379.08188	12.3
380.08270	0.7
397.09189	5.0
415.10318	3.6
433.11591	1.9
439.10281	11.1
457.11496	7.7
465.07846	1.0
475.12338	2.3
483.09198	7.6
501.10263	15.1
519.11383	25.9
520.11908	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62435	0.8
55.01857	1.2
55.91148	0.8
65.03945	0.9
68.99789	2.9
69.03418	1.2
70.42638	2.8
72.80882	0.7
74.37276	0.9
75.91882	0.9
79.01861	2.5
81.03428	1.6
83.30665	0.8
83.61229	0.8
85.02911	5.0
87.00860	0.9
91.05486	1.2
97.02895	1.3
103.03947	1.7
109.02865	1.3
119.04942	3.6
120.05735	1.2
121.02874	17.3
124.76534	0.8
138.03151	1.2
141.01836	1.0
145.02928	2.2
147.64879	0.9
149.02269	1.2
151.03867	1.0
163.03920	2.5
165.01843	14.6
167.03412	1.0
171.02922	1.2
177.01813	1.0
177.05508	1.0
179.03384	1.2
183.02893	3.1
187.03931	2.3
189.01822	1.5
191.03343	0.9
195.02916	1.9
203.03436	1.6
205.01469	0.8
213.05405	4.9
217.04958	1.2
227.07162	1.0
228.07791	1.3
243.02946	2.0
243.06497	2.0
255.06487	4.9
256.07269	6.6
259.06061	1.7
267.06604	2.7
270.05298	1.4
271.06012	8.9
281.08011	1.7
283.06018	100.0
284.06775	31.2
285.07498	3.0
295.06015	33.0
296.06323	1.1
297.07553	16.4
299.05600	1.5
305.08105	2.0
307.06070	2.9
308.06854	3.5
309.07578	9.0
311.05460	5.0
313.07065	95.3
314.07504	2.4
321.07343	2.4
323.05450	2.1
323.09006	11.1
325.06952	6.1
327.08618	2.9
333.07596	2.5
335.09204	1.0
337.07098	19.3
343.08179	3.7
349.07083	15.2
350.07516	1.6
351.08795	4.6
355.07907	1.3
361.07150	7.0
367.08124	7.1
379.08087	16.7
397.09106	13.3
415.10452	4.8
433.11475	2.7
439.10226	9.4
453.08246	1.8
457.11264	7.4
475.06595	1.1
475.11987	4.2
483.09387	7.6
501.10385	14.4
519.11346	35.2
520.11285	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.2
56.05040	0.6
57.03463	0.2
58.06634	0.5
60.08170	7.3
66.54063	0.1
67.05508	0.6
69.80045	0.7
70.41695	0.1
71.07381	3.6
79.05508	0.4
81.07063	0.5
86.09712	33.8
91.05499	0.3
93.07072	0.2
95.08612	0.4
98.21397	0.2
98.98473	4.2
104.10751	3.7
104.13266	0.1
105.07052	0.2
107.08585	0.2
108.50883	0.1
117.00699	0.1
125.00012	24.8
157.25397	0.1
178.05724	0.1
184.07352	100.0
185.07750	0.4
217.88438	0.2
258.11029	0.3
500.31531	0.8
518.32336	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.9
55.44557	0.2
56.05041	1.0
56.66232	0.3
58.06588	1.4
59.07387	0.3
60.08167	17.1
67.05506	2.8
68.16106	0.3
69.07058	0.7
69.70963	1.3
71.07378	7.4
79.05490	1.9
81.07051	1.9
86.09709	51.9
91.05477	0.7
91.89670	0.2
93.07054	2.0
95.04997	0.2
95.08607	1.3
98.98475	4.1
104.10748	100.0
105.06997	0.5
105.11104	0.5
107.08609	0.7
109.10136	0.5
117.07085	0.3
119.08607	0.4
120.28099	0.2
121.10137	0.5
125.00010	31.5
135.11708	0.4
145.97107	0.2
147.11711	0.2
159.11743	0.3
163.01581	0.7
166.06389	0.3
184.07346	96.4
185.07716	0.3
209.43294	0.2
258.11069	0.9
270.34045	0.2
305.61765	0.2
335.25879	0.8
383.39200	0.2
441.24255	0.4
500.31381	7.7
501.31586	0.3
518.32458	21.4
519.32880	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	13.4
53.29913	4.4
53.32929	6.0
55.01877	8.4
55.05501	11.5
56.05019	4.8
57.03429	8.4
61.02916	8.7
62.30841	4.4
67.05498	18.1
67.90725	5.2
69.03434	48.5
69.07064	13.9
69.84366	20.3
70.06596	58.5
71.04979	6.2
72.08159	10.4
73.02899	8.1
79.05485	22.5
81.03429	44.4
81.07059	33.4
83.04975	7.8
83.08607	7.0
84.04507	8.6
84.08148	9.7
85.02912	100.0
85.06569	7.5
86.09717	34.3
87.00832	35.5
87.04484	7.1
91.05470	21.5
93.07052	23.6
95.04959	12.2
95.08625	33.5
97.02911	39.4
97.06525	10.2
99.04453	16.1
100.11228	5.3
105.01878	29.6
105.07050	36.7
107.08609	24.4
109.02878	33.5
109.06528	9.0
109.10164	10.4
110.07222	6.1
117.07011	7.6
119.04951	5.3
119.08576	34.3
120.08115	29.1
121.06562	9.3
121.10134	18.2
123.08068	5.6
125.09675	8.4
127.03922	67.0
127.07503	6.8
128.06247	8.7
129.07027	7.8
131.08559	24.5
133.10136	28.3
135.08069	6.4
135.11697	7.0
137.05959	5.9
137.09474	5.2
141.13933	6.3
143.08557	23.2
145.04984	21.3
145.10118	26.5
147.02905	5.8
147.08080	6.5
147.11691	16.4
149.09627	10.1
155.08513	5.4
156.09344	5.1
157.10188	31.8
159.02872	29.3
159.11699	38.8
161.13278	17.1
163.11147	7.8
165.01964	6.2
169.09973	5.9
171.11673	13.4
173.13264	16.9
175.11267	7.7
175.14893	7.8
183.14973	7.3
187.07549	5.2
187.14854	22.7
189.12703	10.3
189.16415	25.6
191.14265	7.5
199.14854	32.6
201.12511	6.3
205.15932	8.0
211.14420	14.0
217.15926	40.0
231.05058	9.6
235.17033	25.3
239.13905	14.3
253.18001	14.4
271.06012	86.3
283.06250	10.7
284.06583	5.4
297.07755	8.3
313.07062	22.2
338.11093	7.2
379.08087	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	518.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	14.5
55.01869	13.6
55.05510	9.2
57.03423	7.0
61.02919	8.6
67.05495	10.3
68.99799	3.8
69.03433	40.4
69.05539	2.8
69.07076	16.7
70.06602	15.9
70.76037	3.9
70.76359	3.1
71.04996	9.2
72.08153	2.9
73.02927	8.6
74.51525	2.8
75.95152	2.7
79.05496	8.9
81.03421	38.2
81.07062	18.0
83.04986	4.9
83.08610	3.0
84.08150	5.3
85.02911	100.0
85.06546	3.3
86.09705	12.2
87.00323	3.2
87.00835	39.0
87.04465	5.2
91.05478	13.6
93.07050	17.3
95.04974	6.1
95.08608	18.0
97.02905	29.1
97.06533	4.8
99.04459	21.0
103.05419	4.3
105.01871	29.6
105.07040	32.9
107.04965	3.3
107.08607	18.8
109.02869	35.1
109.06516	5.8
109.10175	11.2
111.08061	2.8
117.01867	5.6
117.07020	5.1
119.08589	50.8
120.08139	4.1
121.06509	4.2
121.10138	14.7
123.08120	5.8
123.11745	3.8
125.09629	5.1
126.05527	3.2
127.03924	69.8
129.01810	4.3
129.10162	3.4
131.08569	11.3
133.06480	4.9
133.10112	26.4
135.11693	7.9
137.05988	4.5
137.09618	5.1
139.11180	3.1
142.07713	3.4
143.08575	11.3
145.04962	31.5
145.10143	13.4
147.11694	9.5
149.09679	4.1
151.11209	3.6
157.10178	9.7
159.02910	25.2
159.09198	6.5
159.11647	20.4
161.09619	7.6
161.13297	7.6
163.11205	2.9
171.11726	6.8
173.13283	19.5
175.11192	4.4
175.14828	45.2
177.12817	3.9
189.16435	9.3
199.14864	19.7
217.15883	31.2
219.45203	3.3
223.16826	3.3
231.04909	13.5
235.16910	22.5
246.11417	4.3
253.18044	6.5
266.67767	2.6
271.06131	7.2
283.06015	6.9
284.06747	5.1
313.07272	6.3
318.84006	3.0
338.10986	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	518.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	17.1
55.01865	5.9
55.05509	3.2
56.05025	2.6
57.03439	4.6
61.02916	4.4
65.03956	2.4
67.05500	2.5
68.99797	5.3
69.03088	2.1
69.03437	24.3
69.07061	3.6
69.13716	1.8
69.38113	2.6
69.38519	11.4
70.02950	3.0
70.06602	25.9
71.04979	7.8
71.06938	1.9
72.08144	7.3
72.19813	1.7
73.02913	7.1
73.08486	2.3
74.06069	4.0
78.34368	1.7
78.60658	1.6
79.05504	4.2
81.03427	41.1
81.07054	5.3
83.04995	4.8
84.04489	6.6
84.08149	9.2
85.02916	58.6
85.06535	2.2
86.09695	9.8
87.00834	27.1
87.05582	4.3
91.05487	100.0
93.07034	5.2
94.06530	2.4
95.04958	3.4
95.08589	2.8
97.02899	42.0
97.06520	1.8
99.04465	28.9
102.05580	2.8
103.03921	7.5
103.71884	2.0
105.01884	19.6
105.07018	7.6
106.94769	2.0
107.08562	5.7
109.02888	80.5
109.06550	3.5
110.06042	3.6
111.04395	2.8
112.03942	3.2
112.54368	2.0
117.07136	2.1
119.04942	2.7
119.08556	4.7
120.08129	9.0
121.02925	3.8
121.10175	4.1
123.04483	2.1
124.03973	2.5
124.07614	2.6
125.09608	2.7
127.03931	96.8
129.01839	4.1
129.06964	3.0
129.10220	4.3
131.04887	2.0
133.10129	4.0
135.08009	1.8
136.07556	9.3
137.05980	2.7
140.03430	6.0
143.08652	3.0
145.04962	32.8
145.10091	3.2
147.02905	4.5
147.11607	2.2
157.10104	1.9
159.02905	15.1
159.09222	3.8
159.11670	3.4
163.06058	4.4
165.01859	2.7
171.08034	2.4
175.07516	2.3
177.03906	2.3
185.44133	1.7
187.06042	3.2
199.07501	3.2
199.14861	3.7
204.13535	2.1
213.03967	16.0
217.08588	3.3
217.15900	7.7
229.09254	2.6
231.05026	35.8
235.13307	2.9
235.16945	2.9
236.13533	1.9
249.06100	8.4
271.05890	3.0
273.06168	3.4
278.09821	2.5
283.06070	10.6
284.06668	4.0
291.07263	9.4
295.05997	6.3
296.11249	2.0
297.37601	2.1
300.05908	2.4
301.18683	4.9
309.07684	3.3
313.07104	17.0
323.09073	3.0
337.06982	5.3
345.96036	2.0
356.12027	4.2
357.08057	3.8
375.09171	6.1
379.07965	6.0
393.10089	5.5
396.24368	1.9
411.69800	2.2
474.14792	14.2
483.09332	4.2
483.29031	2.0
518.13239	18.5
518.19965	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	518.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	17.5
55.01863	13.7
55.05507	10.1
57.03432	10.5
58.49871	3.3
61.02928	8.5
64.24430	3.5
66.61240	3.0
67.05504	12.2
68.99784	4.5
69.03432	39.7
69.07082	18.7
69.25155	34.6
70.06589	25.2
71.04974	7.6
72.08141	4.0
73.02917	9.9
79.05485	12.9
81.03419	45.7
81.07056	25.3
83.04984	9.3
84.04479	4.5
84.08148	10.5
85.02912	100.0
86.09704	14.3
87.00820	37.0
87.04491	4.4
91.05488	20.3
93.07033	20.5
95.04984	6.8
95.08609	24.5
97.02891	37.6
97.06546	5.6
99.04452	19.3
100.11272	4.3
105.01891	29.6
105.07047	31.4
107.08594	18.9
109.02884	31.6
109.06516	4.5
109.10144	15.5
117.01828	5.9
117.07014	4.4
117.50688	4.0
119.08591	59.4
120.08124	6.6
120.08905	4.5
121.02860	3.7
121.06466	8.4
121.10139	11.8
123.08061	7.8
123.11756	4.2
125.09654	6.6
127.03919	82.2
128.06200	4.0
129.01833	8.7
131.04912	5.0
131.08583	15.1
133.06528	5.8
133.10146	27.7
135.08040	5.8
135.11705	6.8
137.05934	8.4
137.09612	6.2
143.08553	11.7
145.04987	30.9
145.10121	15.1
147.11707	13.1
149.13165	4.8
156.09312	3.4
157.10127	12.6
159.02901	25.6
159.09177	9.8
159.11685	24.0
161.09579	17.3
161.13210	5.4
163.03946	3.6
163.11159	6.8
169.10049	4.2
171.11647	6.5
173.13269	21.9
175.11179	5.2
175.14824	47.7
187.11087	4.3
187.14893	5.0
189.09116	4.6
189.16431	9.8
199.14844	29.0
200.44682	3.6
217.15808	28.2
231.04961	13.8
235.16971	25.4
243.13809	3.7
246.11299	7.8
253.18001	5.0
271.05939	8.5
283.06125	14.6
313.07037	7.0
338.11142	6.2
356.12039	12.7
518.31659	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	518.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	19.4
55.01860	5.6
55.05516	3.9
57.03432	3.0
59.33057	1.8
61.02925	5.6
65.03954	3.4
66.74263	1.8
67.05505	3.6
68.99811	4.0
69.03434	18.3
69.07085	2.8
69.83832	3.8
69.84231	8.4
70.06606	17.1
71.04997	5.7
72.08157	4.4
73.02917	5.8
74.06080	3.5
79.05482	2.7
81.03424	40.2
81.07062	4.7
83.04951	4.1
84.04502	3.7
84.08143	6.2
84.54222	1.8
85.02912	55.8
86.09715	10.9
87.00827	30.5
87.05555	3.0
88.98335	2.0
91.05484	100.0
93.07013	3.2
95.04991	1.9
95.08611	4.3
97.02304	2.7
97.02899	41.5
97.03522	2.3
98.21506	3.1
99.04460	22.7
103.03940	8.4
105.01871	18.2
105.07037	6.3
107.08578	3.7
109.02887	76.2
110.06052	3.6
110.07127	1.8
119.08571	4.1
120.08120	4.3
121.06577	2.5
121.10177	2.2
127.03926	87.9
128.04285	1.9
129.01846	8.2
129.07011	3.8
129.10249	2.8
130.08627	2.0
131.08545	3.4
132.10271	3.0
133.10184	2.6
135.11679	2.0
136.07613	5.6
137.05969	2.4
140.03462	2.7
143.08586	2.9
145.04973	26.4
145.06488	2.6
145.10193	2.2
147.02893	4.1
159.02925	13.4
161.09631	1.8
163.06010	4.2
169.05028	3.2
171.07997	2.0
173.13150	2.2
175.07616	2.2
175.14819	2.3
187.06137	2.0
199.07596	4.7
199.14836	3.2
201.12361	2.3
212.09222	2.4
213.03946	14.8
217.08644	2.4
217.15829	3.1
218.16615	1.9
221.17172	1.9
231.05011	33.1
235.16917	3.2
247.09615	2.0
249.06096	7.6
253.06967	2.8
271.06000	2.2
273.06207	3.7
283.06018	7.8
284.06650	2.4
291.07077	7.6
295.05927	4.9
301.18802	2.7
313.07077	9.1
323.09256	2.4
357.08151	4.3
375.09161	4.4
393.10379	7.9
432.13403	4.0
474.14859	15.0
518.13239	26.7
518.20416	1.9
519.11920	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3894
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
51.02384	0.8
51.21730	0.7
53.03937	3.2
55.01869	1.9
55.05514	15.1
57.03441	4.2
57.07067	2.5
59.04977	1.0
60.22378	0.8
65.03931	1.2
67.05508	30.1
68.05832	0.8
69.07069	13.4
69.91975	4.1
71.04996	2.1
79.05495	24.5
81.07060	33.9
83.04968	1.1
83.08617	8.7
85.06517	2.1
91.05482	19.8
92.79143	0.9
93.07048	30.2
95.04976	2.4
95.08614	29.4
95.09149	0.5
95.09244	0.9
97.06522	3.1
97.10165	3.2
98.20739	1.1
103.05426	0.9
105.07038	26.0
107.07880	1.7
107.08592	21.6
109.06532	2.0
109.10165	15.7
111.08082	1.4
113.00040	1.7
117.07022	7.1
119.08590	26.7
121.09328	1.8
121.10153	18.0
123.08021	1.9
123.11738	4.3
125.09597	1.7
129.07027	3.8
131.08571	16.1
133.10143	17.5
135.11708	10.0
137.09612	1.0
137.13307	1.0
139.11205	1.0
141.06984	1.1
143.08551	6.0
145.10135	15.3
147.11696	13.7
149.13261	6.2
155.08569	2.8
157.10164	6.6
159.11700	14.1
161.13257	8.3
163.11192	1.3
163.14847	3.2
165.12837	1.1
169.10101	2.1
171.11694	5.5
173.13293	9.2
175.11266	1.1
175.14809	4.2
177.12740	0.9
177.16415	1.6
183.11726	2.4
185.13261	5.0
187.14822	6.4
189.16443	1.8
196.94626	1.0
197.13255	2.5
199.14879	3.8
201.16415	2.8
203.17967	1.2
211.14949	1.4
213.16451	2.2
215.17947	0.9
217.16068	0.9
219.17508	1.5
225.16434	1.2
227.18089	1.4
231.21173	1.0
235.17085	0.8
237.18759	0.9
239.18193	0.9
241.17998	3.4
245.19110	1.3
249.18637	1.1
255.21361	0.9
259.20627	3.3
273.22195	1.5
285.22110	1.5
287.23776	1.8
289.21735	1.1
299.23831	2.7
301.21997	1.2
301.25293	2.0
313.25174	1.8
315.22961	1.8
317.24655	1.6
325.25150	1.3
327.26996	1.4
329.24728	1.1
331.26260	1.4
333.24423	2.0
343.26422	0.9
357.03748	0.9
405.30042	3.7
407.33002	4.2
419.31528	1.5
425.34180	15.0
443.35251	7.1
461.36652	1.4
481.17700	1.1
481.37091	2.0
499.37790	19.3
517.38916	100.0
518.39447	3.5
541.12646	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3893
Annotation	3beta-Acetoxy-11alpha,13beta-dihydroxyolean-12-one
Peak:m/z	Relative Intensity
53.03926	2.3
55.05514	18.0
55.75438	1.5
57.03424	4.7
57.07076	3.2
65.03941	2.0
67.05510	38.3
69.07079	14.7
69.13405	2.5
69.13812	12.4
71.04995	2.8
79.05494	25.4
81.06592	2.7
81.07061	43.5
83.04988	1.9
83.08623	9.0
85.06536	3.3
91.05482	25.5
93.07050	35.7
95.04935	2.5
95.08611	35.5
97.06523	3.7
97.10164	2.9
99.08075	2.9
103.46761	1.2
105.04430	1.4
105.07033	33.4
107.08601	30.6
109.06538	1.7
109.10165	18.6
110.10480	1.3
111.08072	3.8
113.00028	3.7
117.07033	7.9
119.08591	33.3
121.06567	1.5
121.10145	19.4
123.08084	4.0
123.11708	13.1
129.07007	5.0
131.08562	19.4
133.10141	26.8
135.08060	4.4
135.11693	13.0
137.13231	1.4
143.08565	5.3
145.10130	17.5
147.11697	21.6
149.09647	4.2
149.13264	8.6
155.08568	3.6
157.10150	8.2
159.11714	14.6
161.13268	11.6
163.14865	4.3
169.10176	2.5
170.10855	1.5
171.11694	4.5
173.13255	10.5
173.77948	1.5
175.14864	4.5
177.16440	2.7
183.11752	1.7
185.13298	4.7
187.14810	6.4
189.16385	6.9
191.14101	1.6
197.13272	2.2
199.14873	8.0
201.16411	4.6
203.14288	2.4
203.18088	2.7
211.14711	1.4
211.41205	1.4
213.16499	1.9
215.17978	3.1
217.15933	3.6
217.19637	1.5
219.17644	2.3
225.16356	1.6
241.17790	2.4
259.20624	3.6
273.22076	3.3
277.17920	3.2
287.23450	2.7
299.23868	2.4
301.25323	2.2
303.23251	1.7
313.25269	1.9
317.24741	1.3
327.27017	1.7
331.26483	2.4
333.24124	1.8
387.28809	2.1
405.30096	4.6
407.33185	2.7
419.31827	1.8
421.34863	1.8
425.34210	16.1
431.30853	1.5
439.35889	4.6
443.35330	6.0
457.36795	20.6
481.36465	1.9
499.37836	21.4
517.38934	100.0
518.39172	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	517.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02351	0.8
53.03948	2.0
55.01874	0.9
55.05512	12.0
57.03443	5.5
57.07072	1.7
65.03956	1.2
67.05510	26.9
69.07071	12.9
70.04742	1.5
70.05133	2.1
71.05002	1.5
71.08607	0.9
77.03930	1.1
79.05070	1.8
79.05500	21.8
81.07063	33.5
83.04977	1.1
83.08621	7.8
85.06539	2.2
91.05489	18.4
93.07048	25.9
93.07642	1.3
95.04948	1.1
95.08613	30.3
97.06528	3.4
97.10182	3.8
99.08094	1.1
104.22733	1.0
105.07037	22.8
107.08611	17.2
109.06496	1.4
109.10169	14.7
111.08088	1.8
113.00034	1.6
117.07027	7.3
119.08589	24.5
121.06587	1.5
121.10149	16.1
121.10947	1.6
123.08049	2.2
123.11733	3.4
125.09666	1.6
128.06282	1.3
129.07033	3.8
130.07825	1.2
131.08575	17.8
132.77869	0.9
133.10135	18.4
135.08067	1.2
135.11702	8.6
137.09619	1.2
137.13242	1.0
143.08548	5.3
145.10130	16.1
147.11697	13.6
149.13263	7.2
155.08563	1.4
157.10141	5.2
159.11714	11.8
161.13283	7.0
163.11226	0.9
163.14873	3.3
165.12819	1.0
169.10132	2.3
171.11717	6.0
173.13274	10.2
175.14845	5.1
177.16411	1.2
183.11728	2.4
185.13324	3.8
187.14804	4.3
189.16409	1.6
197.13316	2.8
199.14880	3.6
201.12781	1.0
201.16438	2.4
203.18044	1.5
213.16499	2.8
219.17479	1.6
225.16432	1.3
227.18086	1.3
235.16956	1.2
241.17662	4.0
251.20110	1.1
257.18967	1.1
259.20663	3.7
271.20691	1.8
273.22290	1.9
285.22137	1.3
287.23660	1.5
291.22986	1.0
299.23795	1.7
301.25360	2.8
303.22870	1.1
313.25351	1.9
315.26883	1.1
317.24869	1.0
324.72400	0.9
327.26993	1.2
331.26630	1.2
333.24316	2.0
342.88141	0.9
355.26440	1.0
398.51282	0.9
405.30237	1.9
407.33096	4.8
414.06287	0.8
419.31403	0.9
425.34125	14.9
443.35156	5.8
459.35065	1.4
461.36279	1.1
481.36816	1.0
499.37930	18.1
517.38910	100.0
518.39398	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	517.389
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03942	2.0
53.20074	0.8
55.01869	2.0
55.05514	12.8
57.03442	4.4
57.07061	2.4
62.55939	0.9
65.03954	1.8
67.05505	32.4
69.07069	14.4
69.19411	9.4
71.04985	2.3
71.08643	1.6
79.05493	22.1
81.07057	37.9
83.08134	1.2
83.08616	7.6
85.06548	2.8
87.63187	0.8
90.59657	0.8
91.05479	20.4
93.07050	30.9
93.07639	1.5
94.58937	0.8
95.04961	2.2
95.08612	27.7
97.06525	3.2
97.10182	3.4
105.07035	25.5
105.07565	0.5
107.08591	21.1
109.06563	1.2
109.10153	11.0
111.08102	1.5
113.00005	3.0
117.07006	7.1
119.08582	25.5
121.10148	17.2
121.41560	0.9
123.08068	1.1
123.11699	4.8
128.06235	1.1
129.07016	3.3
130.07814	1.0
131.08566	18.7
133.10135	20.0
135.08009	1.3
135.11690	11.0
137.09570	1.9
141.07062	0.9
143.08575	6.0
145.10129	19.0
147.11694	14.2
149.09695	1.4
149.13254	6.2
155.08592	2.2
157.10194	5.6
159.11707	13.5
161.13261	10.2
163.11269	1.3
163.14813	2.8
167.14267	1.1
169.10149	2.2
171.11700	5.2
173.13261	8.4
175.14804	4.4
177.16431	1.9
179.14375	1.5
183.11700	3.0
185.13271	6.0
187.14828	5.6
189.16385	2.8
195.11700	1.3
196.12598	0.9
197.13274	2.2
199.14836	3.3
201.16417	2.3
203.17986	1.0
211.14813	1.7
213.14690	1.1
213.16461	2.3
215.14510	1.1
215.18021	1.1
217.15947	0.9
219.17325	1.3
223.97644	0.9
225.16542	1.5
227.18185	1.1
231.17377	1.2
233.19211	1.0
241.17897	2.3
243.17490	1.1
245.19061	1.2
259.20599	3.7
261.22247	1.3
273.22177	1.2
287.23715	1.6
292.26968	0.9
295.24097	1.1
299.19949	0.9
299.23508	1.4
305.24759	1.0
313.25491	1.0
315.23206	2.0
315.26779	1.1
317.25073	1.2
331.26422	2.4
333.24463	3.0
337.24667	1.1
345.28064	1.1
355.26431	1.0
405.30057	3.1
407.28271	1.2
407.32898	4.7
409.89804	1.2
419.31778	1.4
425.34204	12.4
443.35229	6.4
459.34909	1.1
461.36218	1.1
499.37839	19.1
517.38916	100.0
518.39270	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3892
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03939	2.4
55.01849	1.0
55.05278	1.1
55.05516	15.8
57.03443	6.4
57.07068	2.5
65.03942	1.8
67.05144	0.8
67.05510	31.1
69.07079	13.0
71.04991	2.4
79.05499	24.8
81.07062	34.0
83.04996	1.6
83.08633	6.5
85.06537	2.2
91.05484	23.0
93.07052	31.6
93.07637	1.6
95.04963	2.0
95.08617	30.6
97.06528	2.9
97.10166	3.6
103.05431	1.1
105.07042	26.3
107.08604	22.5
109.06525	1.4
109.10165	16.0
111.08081	1.9
113.62960	0.9
115.05460	1.1
117.07011	7.2
119.08594	26.5
121.10149	16.6
123.08104	1.8
123.11692	4.7
125.09677	1.7
129.07051	4.6
131.08571	17.0
133.10147	19.4
135.08083	1.9
135.11696	11.3
137.09685	1.3
137.13272	1.5
139.11288	0.9
141.07045	1.3
143.08578	6.4
145.10138	15.7
147.11699	15.3
149.09624	1.3
149.13268	7.5
151.15021	1.2
155.08536	2.8
157.10165	5.5
159.11710	14.2
161.13272	8.0
163.14832	3.6
166.32167	0.9
169.10146	2.4
171.11732	6.4
173.13271	8.2
175.11180	1.4
175.14879	4.9
177.16415	1.4
183.11742	2.0
185.13284	5.3
187.14828	4.9
189.16441	1.7
197.13087	1.8
199.14891	3.6
201.16422	3.0
205.15866	1.2
211.14862	2.5
213.16490	2.0
219.17438	1.6
225.16563	1.4
227.18129	1.5
231.17448	1.4
233.19011	1.7
235.17285	1.2
241.17955	2.7
245.18831	1.2
249.18732	1.2
259.20654	3.6
261.18515	1.0
263.20099	1.4
271.20560	1.7
273.22128	1.2
275.19980	1.2
285.22125	1.7
287.23727	2.1
289.21857	0.9
299.23547	1.4
301.25244	1.5
307.22858	1.3
313.25412	1.6
317.24945	1.2
327.26779	1.1
331.26346	1.4
333.24130	2.5
353.28455	1.1
405.30194	2.7
407.32956	4.2
419.31909	1.3
425.34183	13.2
443.35278	9.0
447.31458	1.1
461.36469	1.9
499.37863	21.8
499.44757	1.7
517.38928	100.0
518.39227	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	517.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03971	0.6
55.01862	1.2
55.05519	3.7
57.03445	1.6
57.07074	0.7
60.97464	0.7
66.98832	0.5
67.05505	5.6
69.07074	6.2
69.20677	2.5
69.21108	3.4
71.04993	1.1
71.08617	2.6
79.05489	4.9
81.07062	9.8
83.08621	2.3
85.06571	0.8
91.05503	4.2
93.07050	6.3
95.04989	0.7
95.08606	8.1
97.06547	1.1
97.10163	0.7
99.08088	1.8
105.07040	6.4
107.08598	6.3
109.06528	7.2
109.10176	2.8
111.08070	1.1
113.00023	100.0
117.07000	0.8
119.08595	5.7
121.10147	5.2
123.08070	12.6
123.11658	1.1
131.08591	1.6
131.14018	0.6
133.10139	5.0
134.33646	0.8
135.08047	9.4
135.11703	1.5
137.09612	1.3
143.08595	1.3
145.10120	2.9
147.08003	1.0
147.11687	4.1
149.09656	1.6
149.13281	1.6
157.10226	0.9
159.11711	1.5
161.09612	1.5
161.13219	0.8
163.11237	0.6
165.12808	1.1
167.14363	0.7
169.01358	0.7
169.02565	3.1
173.13200	1.1
175.14822	5.6
177.12790	3.2
179.14320	17.7
187.03679	14.2
187.14850	0.6
191.14313	1.1
197.44760	0.6
205.15909	4.8
233.19063	1.6
247.20509	1.3
263.20099	1.3
275.20166	1.6
289.21674	2.3
293.21146	0.9
303.26883	3.4
313.24924	0.8
319.22543	1.0
331.26334	40.7
332.26721	0.8
349.27371	1.3
369.27759	1.0
375.85376	0.8
387.29004	4.4
405.30038	27.5
406.30261	0.8
491.68939	0.8
499.28229	5.6
517.29327	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	517.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.9
55.01866	1.2
55.05519	4.4
57.03419	3.0
57.07068	2.8
67.05505	9.3
69.07074	8.5
69.73833	3.7
71.04966	1.4
71.08644	4.4
74.53186	0.7
79.05493	6.3
81.07069	14.7
83.04965	1.2
83.08631	5.4
85.06534	1.5
91.05500	4.9
93.07047	9.3
95.04979	1.5
95.08609	12.7
95.18250	0.8
97.06553	3.8
97.10168	1.5
99.08090	3.1
100.81454	0.9
105.07032	7.8
107.08596	9.5
109.06522	11.9
109.10153	4.6
111.08070	1.7
113.00024	100.0
117.07024	1.8
119.08596	11.3
121.10138	5.7
123.08073	21.5
123.11682	1.5
131.08568	2.5
133.10141	8.7
135.08061	12.8
135.11699	2.4
137.09660	1.4
137.13289	1.2
143.08507	1.1
145.10158	4.6
147.08011	0.9
147.11716	7.4
149.09608	2.6
149.13246	2.1
157.10147	1.9
159.11711	4.3
161.09639	1.7
161.13240	2.4
165.12758	1.3
167.14291	2.4
169.02597	1.3
171.11668	1.2
173.13275	1.8
175.11226	0.8
175.14845	8.5
177.12808	4.6
177.16414	1.2
179.14326	31.3
185.13206	0.9
187.03683	15.7
187.14850	1.3
191.14330	1.8
193.15875	1.9
205.15953	5.0
214.28726	0.8
231.15915	1.3
233.19180	1.1
247.20470	1.6
255.69362	0.8
263.20062	2.4
271.20670	0.9
275.20029	1.4
289.21744	6.4
293.21127	1.3
303.26755	5.1
313.25443	1.2
331.26340	51.6
332.26636	1.4
349.27512	5.6
361.27353	1.3
369.27689	1.7
369.43509	0.8
375.28720	1.5
387.28949	7.6
405.30011	61.8
406.30521	1.6
423.30991	1.2
461.93164	0.9
499.28500	4.0
517.29242	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	515.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.3
55.01879	1.9
55.05515	19.4
57.03427	8.4
57.07079	4.5
58.25735	1.5
65.03938	2.9
67.05511	60.7
69.03416	1.9
69.07082	17.0
71.04990	5.6
71.45428	1.7
77.03896	2.0
79.05498	63.0
81.03422	3.2
81.07059	46.2
81.07535	2.7
83.04972	8.6
83.08617	6.9
85.06524	3.1
91.05486	34.8
93.07047	64.0
95.04976	6.0
95.08611	31.4
97.06534	10.4
97.10184	6.3
105.04539	1.8
105.07039	17.5
105.35036	1.6
106.07396	1.9
107.08602	42.6
108.23425	1.4
109.06528	1.6
109.10158	13.7
111.08090	2.6
115.05409	1.7
117.07018	9.0
119.08578	20.1
121.10144	22.6
123.11751	2.9
125.09607	3.7
127.39396	1.6
128.06244	2.8
129.06995	4.2
130.07852	2.6
130.28700	1.5
131.08574	13.2
133.10152	14.9
135.08087	2.0
135.11705	41.2
141.07001	2.4
143.08578	6.7
145.10153	17.5
147.11700	7.9
149.13284	5.6
155.08511	1.9
157.10175	3.9
159.11716	8.9
161.13286	5.6
163.11137	8.3
171.11713	5.2
173.13275	5.4
175.14836	2.9
181.10614	1.6
181.12242	7.1
183.11717	2.1
185.13318	3.2
187.14738	3.3
189.16388	4.2
191.18153	1.6
197.13242	1.8
199.15036	2.2
239.17834	1.7
261.22134	3.4
274.68469	1.7
347.02243	1.5
405.31470	1.9
407.33029	4.2
419.33078	2.9
423.32498	5.4
437.34116	5.4
441.33401	2.3
497.36133	6.7
499.80206	1.7
515.37335	100.0
516.37677	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	517.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.6
60.04534	1.6
69.03432	4.9
70.02937	1.3
70.06600	16.4
70.27251	2.5
71.06910	1.5
71.71296	1.3
72.08167	10.7
75.05596	1.1
81.03417	1.7
81.74639	1.2
83.04972	1.4
84.04511	2.6
84.08148	5.1
84.33586	1.2
85.02911	8.4
86.09713	6.5
89.03925	4.1
90.92780	1.5
93.86852	1.2
97.02897	2.3
98.97594	1.4
99.04490	1.1
102.05627	1.2
107.04991	1.9
109.48143	1.0
110.07130	1.3
117.03413	6.6
127.03944	1.6
129.10281	2.5
130.05038	1.7
135.04428	13.3
136.07651	2.3
141.06773	1.2
145.02824	9.6
145.04971	2.1
147.04478	1.6
151.60257	1.1
163.03922	100.0
187.03944	3.1
233.57410	1.4
269.08008	1.7
269.12909	2.4
279.06650	1.4
315.13403	1.5
317.88663	1.2
333.48175	1.3
366.14551	1.5
381.35931	1.3
426.37051	1.3
430.16412	1.6
431.01517	1.3
463.16769	2.4
481.18066	3.9
499.19174	4.5
517.20178	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3736
Annotation	rubiarbonone C
Peak:m/z	Relative Intensity
55.01891	5.1
55.05503	13.8
58.01253	4.4
67.05502	15.7
69.03437	10.0
69.07054	17.2
69.17200	4.3
69.17538	44.8
71.04996	22.1
79.05473	19.3
81.07056	27.5
83.04943	5.3
83.08617	7.6
84.92387	4.1
91.05484	24.2
93.07058	34.2
95.04954	10.4
95.08160	4.1
95.08623	44.3
97.10140	4.7
99.08082	8.4
105.07053	35.1
107.08595	69.8
109.06522	9.4
109.10159	28.7
111.08092	10.0
117.06998	6.9
119.07833	4.1
119.08603	49.4
121.06494	7.4
121.10149	34.9
123.08058	11.2
123.11677	11.6
125.09644	14.9
127.11179	23.0
131.08571	21.0
133.10139	33.9
135.11693	33.4
137.09625	8.6
137.13321	5.3
139.11183	4.0
143.08556	11.5
145.10126	27.1
147.08139	6.4
147.11737	30.1
149.09558	7.3
149.13281	10.6
151.11143	8.2
155.08635	6.9
155.10687	20.1
157.10144	11.8
159.11719	25.6
161.09660	31.8
161.13234	14.4
163.11232	37.6
163.14859	5.7
171.11664	11.3
173.13271	14.5
175.14816	17.7
181.12289	14.2
185.13342	19.6
187.14856	14.8
189.16338	9.7
191.17993	12.6
193.15878	20.3
197.13217	8.0
199.14792	7.5
201.16367	23.5
203.17966	37.1
209.15433	4.1
213.16344	5.8
217.19591	5.6
227.17963	20.1
245.18987	14.1
247.16969	42.8
255.21101	9.7
265.18018	17.6
267.20966	7.7
269.22659	19.7
281.22626	17.0
289.58478	4.9
296.27090	4.8
333.25797	7.4
419.32944	17.6
437.29001	7.5
437.34268	100.0
455.35495	27.3
497.31219	3.6
497.36288	38.4
515.18549	8.4
515.37665	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	515.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	7.9
55.01859	5.1
55.05516	20.4
57.03432	11.4
57.07074	5.1
61.02932	5.4
65.03971	3.9
67.05511	96.7
69.03429	9.2
69.07079	25.2
71.01372	4.5
71.04977	5.5
71.08624	3.1
73.02908	3.2
79.05497	71.6
81.03429	6.5
81.07062	100.0
83.08632	12.3
85.02906	10.3
91.05492	45.9
93.07053	89.8
93.07637	4.0
95.05012	5.2
95.08611	82.9
97.02925	8.4
97.06532	5.9
97.10199	3.9
98.20737	6.9
99.08089	5.5
105.07038	36.5
107.05005	3.3
107.08613	44.0
109.06513	6.3
109.10173	38.8
111.04456	3.9
111.08095	4.0
117.06983	16.6
118.62936	2.9
119.08565	31.8
119.40170	3.5
121.10160	51.2
123.08015	4.7
123.11699	16.4
127.03918	3.9
129.07008	3.7
131.08585	33.8
133.06450	3.9
133.10150	26.0
135.11719	36.0
137.09605	5.2
137.13252	4.9
139.11198	3.5
143.08574	8.4
145.10146	23.5
147.11708	21.0
149.09663	4.3
149.13272	23.8
151.11211	4.5
157.10106	3.8
159.11681	23.0
161.13277	17.8
163.14780	16.2
165.12816	3.2
169.10091	4.2
171.11696	4.9
173.13272	19.6
175.11217	3.5
175.14876	5.7
177.12694	4.4
185.13232	4.0
187.14842	9.1
201.12759	4.0
243.21106	25.9
261.22153	84.8
301.21786	6.3
303.23141	6.0
335.25806	13.6
353.26987	19.3
369.24283	10.1
381.19101	3.3
387.25259	6.2
405.26474	4.6
423.27264	4.1
461.29449	3.6
497.30603	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	515.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88304	2.5
53.03951	4.1
55.05516	19.2
57.03437	9.5
57.07081	5.3
61.02933	6.8
65.03931	4.9
67.05509	90.4
69.03432	9.2
69.07084	15.6
69.22104	28.1
71.04983	3.9
77.86905	2.7
79.05495	51.7
81.03416	7.9
81.07061	100.0
83.04971	6.0
83.08621	12.0
85.02914	8.5
85.06552	4.3
91.03951	7.9
91.05489	34.9
93.07054	68.8
95.04992	9.2
95.08614	79.3
97.02893	7.6
97.06572	4.0
97.10215	3.5
99.08092	6.1
103.03967	3.2
105.04467	4.1
105.07034	24.6
107.08604	43.4
109.06529	8.2
109.10165	40.0
115.05432	3.3
117.07036	11.9
119.08591	32.7
121.10135	36.7
123.08078	4.2
123.11723	18.0
125.09683	2.9
129.07034	4.0
131.08577	23.8
133.10132	17.7
135.11671	26.0
137.09601	5.3
137.13283	8.1
139.11179	3.3
145.10135	15.2
147.11705	11.4
149.13260	22.3
157.10178	5.9
159.11699	19.9
161.13258	13.3
163.11192	4.6
163.14810	10.2
173.13298	20.5
177.16426	5.9
187.14847	7.8
201.16388	4.6
227.93054	2.8
243.21144	24.6
261.22180	56.3
279.23184	4.2
335.25870	22.7
337.15347	3.0
345.24438	6.6
353.26959	11.1
369.24185	6.5
387.24887	4.1
405.26224	3.4
419.27466	3.7
497.30826	7.2
515.37872	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	9.5
55.05516	18.1
57.03431	17.3
57.07051	10.4
61.02924	16.6
62.85725	7.5
67.05188	7.6
67.05511	100.0
69.03416	26.9
69.07082	35.4
71.04978	11.8
79.05499	61.8
80.76291	7.7
81.03402	13.6
81.07053	92.3
83.05035	7.4
83.08628	13.5
85.02888	10.0
85.06545	8.0
91.05499	43.9
93.07047	79.4
95.04965	11.6
95.08614	81.5
97.02885	10.7
97.06506	11.9
99.08117	8.0
105.07031	45.6
107.08603	46.4
109.06513	11.4
109.10168	39.4
117.07026	24.1
119.08588	36.3
121.10158	39.8
123.11694	22.2
131.08568	39.9
133.10136	33.8
135.08034	12.4
135.11665	27.5
143.08623	12.1
145.10176	14.8
147.11688	26.0
149.09550	7.8
149.13260	25.8
157.10121	15.2
159.11668	24.4
161.09590	7.8
161.13287	25.0
163.14792	11.0
163.62456	8.5
173.13269	20.2
175.14876	10.6
187.14842	12.2
199.14824	16.0
205.15735	9.1
243.21117	20.9
247.59560	7.9
261.22229	50.0
269.17407	11.5
303.23105	12.0
335.25873	8.4
345.24115	7.7
353.26797	28.3
369.24008	15.9
405.26437	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	515.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.5
53.35130	5.0
54.75827	5.3
55.01866	8.9
55.05505	21.2
57.03423	14.3
61.02935	11.4
65.03962	4.7
67.05511	68.1
69.03428	12.3
69.07063	18.5
69.35802	29.7
69.36211	9.5
71.04990	4.7
75.10518	4.6
79.05503	52.7
81.03431	10.4
81.07063	100.0
83.04972	6.2
83.08629	15.5
85.02919	11.9
91.05508	37.7
91.81750	5.3
93.07053	60.4
95.04953	6.9
95.08613	72.2
97.06523	7.4
97.10151	6.0
98.11152	5.2
99.08116	5.4
105.07060	33.5
107.04965	6.6
107.08614	34.4
109.06519	14.1
109.10166	32.0
109.91080	5.6
117.07029	9.9
119.08582	34.4
120.07517	5.2
121.10157	30.0
123.11723	13.2
125.04192	5.3
129.07031	10.4
131.08592	31.5
133.10123	16.6
135.08026	8.3
135.11714	23.8
137.09612	7.7
137.13197	6.8
143.08565	10.2
145.10132	17.4
147.11722	16.8
149.13213	12.6
151.07567	6.6
157.10141	6.8
159.11694	19.5
161.13295	7.6
163.11249	4.9
163.14830	7.5
173.13261	14.0
199.14684	5.8
243.21147	12.4
261.22180	40.5
301.21786	7.7
335.25723	14.0
351.23016	6.4
353.26846	14.1
369.24368	12.8
412.52020	6.8
419.27991	11.6
461.29211	11.8
497.31454	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	515.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93084	0.2
54.57316	0.3
55.05508	0.6
67.05493	1.0
69.07067	0.7
69.40297	0.4
69.40708	1.3
71.08633	0.2
79.05489	0.7
81.07046	1.0
83.05012	0.3
83.08625	0.6
91.05486	0.4
91.84948	0.3
93.07053	0.9
95.08611	1.6
105.07011	0.9
107.08617	1.2
109.10155	0.9
119.08588	1.0
121.10145	1.2
123.11722	0.7
132.57455	0.3
133.10229	0.5
135.11717	0.9
143.39996	0.2
145.10104	0.7
145.87070	0.3
147.11676	0.5
149.13264	0.4
151.11143	0.3
155.99521	0.2
159.11751	0.6
161.09590	0.4
161.13290	0.3
163.11192	0.3
171.11690	0.3
173.13219	0.4
173.51877	0.2
175.14738	0.4
185.04337	0.3
187.14851	0.6
189.16426	0.4
191.17911	0.2
193.03493	0.2
201.16377	0.4
212.07039	0.2
223.90694	0.2
243.86485	0.2
288.14594	0.3
339.28882	0.4
419.33395	0.4
429.71463	0.3
437.34116	0.8
455.35159	1.0
497.36230	0.6
515.31915	100.0
516.32074	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	12.6
55.01876	14.3
55.05513	26.4
55.91125	2.7
57.03433	9.3
57.07083	7.1
61.02917	6.0
65.03934	3.3
67.05512	30.8
68.99786	3.2
69.03436	63.0
69.07076	15.7
70.06602	22.1
71.04993	16.2
71.06612	3.9
71.06945	4.2
71.20919	2.4
72.08167	6.3
73.02915	7.6
74.06073	2.5
79.05493	19.9
81.03425	48.9
81.07062	56.0
83.04978	9.7
83.08617	8.2
84.08150	4.7
85.02910	100.0
85.06549	37.6
85.52679	2.4
86.09701	10.8
87.00833	29.7
91.05473	19.8
91.05927	2.3
93.07043	49.0
93.07947	3.1
95.04994	12.7
95.08003	3.5
95.08607	57.0
97.02894	29.2
97.06519	5.4
97.10162	6.8
99.04455	19.4
99.08092	27.4
103.03962	6.0
103.05457	3.9
105.01871	23.8
105.07038	35.4
107.04929	3.1
107.08604	47.5
109.02889	41.7
109.06525	20.5
109.10155	38.5
109.96834	2.6
111.04448	2.8
111.08080	15.2
113.09642	9.0
117.01808	3.1
117.06983	4.8
119.04942	3.8
119.08582	35.0
120.08088	5.2
121.06474	4.2
121.10159	37.6
123.04439	3.6
123.08115	7.2
123.11703	21.9
125.09621	29.3
127.03938	81.5
129.01859	6.3
129.10158	4.4
131.08577	11.7
133.06468	3.1
133.10141	43.4
135.08073	6.7
135.11720	29.1
136.07603	6.1
137.05959	5.8
137.09604	5.2
137.13264	8.7
139.07610	3.6
139.11172	7.3
143.08568	4.8
145.04974	20.2
145.10144	10.5
147.02916	4.0
147.11708	19.8
149.09647	8.2
149.13297	20.1
151.11157	20.5
155.08640	3.2
157.10130	3.0
159.02893	17.0
159.11708	8.0
161.05893	3.1
161.09674	3.9
161.13286	22.4
163.14827	12.0
165.09032	4.5
165.12663	3.3
169.10225	4.0
171.11711	3.6
173.09615	3.1
173.13269	8.9
175.14810	17.5
177.09134	3.5
177.16370	2.6
179.14368	4.4
179.72612	2.5
189.16357	12.0
191.14302	23.4
191.17969	17.0
197.13254	4.9
199.14815	3.5
201.16454	3.7
207.17471	4.8
209.15303	13.2
213.03835	4.1
213.70218	2.6
231.04984	12.7
231.21092	53.6
233.15201	3.7
249.14938	5.4
249.22194	30.7
258.25299	2.8
267.15930	6.2
267.23132	16.0
273.11557	2.6
335.09082	2.7
339.23199	4.7
353.10260	11.1
357.24054	3.3
372.12354	2.8
469.61276	3.0
471.21487	4.0
498.20670	3.3
515.20795	14.4
515.28204	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01384	2.7
53.03947	13.6
55.01869	14.1
55.05521	27.3
56.97354	2.8
57.03431	9.4
57.07077	8.1
61.02931	12.4
67.05512	34.0
68.86298	3.1
68.99794	6.7
69.03436	69.8
69.07071	21.3
70.06604	26.7
71.05001	16.8
71.08145	5.1
72.08167	5.6
73.02915	12.4
74.06096	3.2
77.29915	3.1
79.05496	20.5
81.03427	53.6
81.07065	68.7
83.04988	11.2
83.08618	9.6
84.08147	6.8
85.02913	100.0
85.06545	49.4
86.09709	16.4
87.00830	36.1
91.05483	23.3
93.07050	60.4
95.04980	14.3
95.08614	76.8
95.09183	5.8
97.02900	38.8
97.06536	8.4
97.10189	9.4
99.04463	30.6
99.08078	28.7
103.03939	13.5
105.01875	28.7
105.07047	37.2
107.08607	59.2
109.02888	52.6
109.06521	23.3
109.10161	42.9
111.08089	19.2
113.09650	11.8
115.03944	4.7
115.61876	3.0
117.01857	4.8
117.06997	3.9
119.08596	41.4
120.08088	7.1
121.06528	7.3
121.10153	48.5
123.04439	4.7
123.08089	12.3
123.11727	21.4
125.09630	39.4
127.03921	75.3
131.08594	9.9
133.10141	45.0
135.08080	14.5
135.11684	38.9
136.07600	8.9
137.05960	4.1
137.09602	8.7
137.13271	7.1
139.11137	7.7
143.08598	5.6
145.04974	24.7
145.10146	12.3
147.02913	4.5
147.11661	20.2
149.09679	8.2
149.13255	23.1
150.58237	3.7
151.07664	3.2
151.11232	24.7
151.14822	4.0
153.12869	4.1
155.10649	3.1
157.10130	7.5
159.02913	18.9
159.11694	9.4
161.09618	4.7
161.13274	30.6
163.11203	6.5
163.14867	12.8
165.12755	6.9
167.07211	3.0
167.10667	5.3
169.10114	4.2
171.11682	5.5
173.13319	7.6
175.14902	23.1
179.14314	13.1
183.11613	3.2
187.03964	4.1
187.14803	4.0
189.16336	16.8
191.14343	23.3
191.17979	8.3
193.16008	3.9
197.13289	4.6
201.16273	4.4
203.17891	3.7
207.17429	8.3
209.15411	13.6
211.14871	3.7
229.19595	3.2
231.05052	13.8
231.17598	4.1
231.21077	68.9
233.15358	5.7
249.14932	4.0
249.18434	3.7
249.22125	41.3
250.15172	3.8
267.15829	4.8
267.23230	22.1
339.23114	3.3
353.10300	19.6
357.23999	3.5
372.11691	4.9
515.20709	11.0
515.28265	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	2.8
60.04527	0.6
67.05500	0.7
69.07066	2.0
70.06596	9.4
71.48297	0.7
72.08157	2.7
83.05066	0.6
84.04536	1.3
84.08147	96.6
85.08497	0.9
86.09715	2.6
88.04002	0.7
89.03912	1.0
91.05485	11.7
101.10790	2.3
107.04971	1.3
110.07184	1.0
111.09213	1.6
112.07632	3.4
112.08722	0.8
115.05476	0.9
116.07069	0.6
117.03391	1.0
118.06548	1.2
119.04944	4.3
121.06535	0.5
123.04479	0.7
129.10246	100.0
130.06592	0.9
130.10597	0.7
131.04958	0.9
132.08113	1.2
135.04439	0.9
136.07585	31.9
145.02866	2.3
146.06017	0.9
147.04474	0.7
151.03920	1.0
151.08714	1.3
161.05945	1.0
163.03874	3.9
175.08664	1.7
177.05446	3.8
178.38863	0.6
183.12494	1.1
187.03873	3.9
187.10898	0.6
202.12238	1.0
229.13371	7.4
239.41634	0.7
247.14436	36.1
249.05457	0.8
251.10225	1.0
255.01675	1.2
269.11310	6.4
274.15451	1.0
292.87769	0.7
295.05923	1.3
323.05591	2.1
335.67938	0.6
341.06204	0.7
382.21063	1.1
392.19620	6.2
410.20743	10.4
497.23340	0.7
511.47552	0.6
515.24683	6.9
515.32690	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.5
55.05514	4.7
59.77614	1.4
60.58186	1.6
67.05527	3.3
67.51271	1.4
69.03431	15.3
69.07069	2.9
70.06598	4.1
72.08139	2.4
79.05497	9.8
81.03429	5.3
81.07049	13.2
83.04980	3.4
85.02903	18.8
85.06569	3.0
86.09734	1.9
87.00829	2.7
91.05487	8.4
93.07036	7.9
95.04977	1.7
95.08612	6.4
97.02893	6.5
98.97604	1.9
99.04443	9.7
99.08087	2.2
103.03948	17.5
105.07028	11.1
107.04971	5.9
107.08604	28.0
109.02888	8.3
109.06560	5.2
109.10185	8.8
117.07039	1.6
119.06062	1.5
119.08582	5.5
121.06493	3.5
121.10140	14.3
122.07289	5.4
123.40792	1.4
125.09620	3.6
127.03909	25.5
131.08603	3.1
133.06531	1.9
133.10132	100.0
135.08057	8.6
135.11708	4.2
137.09616	55.5
145.04991	11.8
145.10126	2.3
147.11665	2.2
149.09590	2.0
149.13263	12.5
158.10838	1.8
159.02945	1.9
161.13287	2.0
163.06071	6.8
173.13283	4.8
191.14313	83.2
209.15388	5.3
225.06584	1.9
231.21104	3.8
249.22185	2.0
307.10126	2.0
336.45132	1.5
372.11844	6.8
400.11642	4.8
432.27390	1.9
515.19916	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	515.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.4
53.63732	1.9
55.01870	2.9
55.05503	7.5
57.03445	3.0
64.88341	2.1
67.05509	9.4
68.65810	1.6
69.03429	20.3
69.07059	8.0
70.06585	8.1
70.61192	2.5
70.61524	4.4
71.04974	5.3
72.08156	2.5
73.02905	2.5
78.11188	2.1
79.05494	14.2
81.03417	19.1
81.07037	13.6
83.04994	9.9
83.08607	3.2
84.08143	3.9
85.02904	40.4
85.06541	3.7
86.09690	4.3
91.05493	10.5
93.07053	14.2
95.04944	2.6
95.08629	9.5
97.02918	10.0
97.06516	3.8
99.04461	26.5
103.03940	31.9
105.07045	13.7
107.04944	7.6
107.08593	40.8
108.08117	3.3
109.02887	15.7
109.06517	7.8
109.10159	14.8
111.08015	2.5
115.05455	3.4
117.07003	2.5
119.08564	7.3
119.13568	1.8
121.06479	6.1
121.10152	21.1
122.07270	5.6
123.08057	5.4
124.07601	2.8
125.09618	3.8
127.03922	63.9
131.08543	8.0
133.10133	90.6
134.05954	2.1
135.08063	13.0
135.11699	3.2
136.07674	1.9
137.06004	2.7
137.09618	50.8
139.11160	3.9
145.04974	25.7
145.10098	5.2
147.11656	8.1
149.09637	16.2
149.13264	16.0
151.11192	7.3
152.07051	5.9
153.07452	2.1
153.09073	2.7
158.10886	2.2
159.04033	1.8
161.09612	2.2
163.06027	12.5
163.14790	10.4
167.07088	1.8
173.13260	12.2
175.90298	1.9
179.07059	2.0
187.06001	5.2
191.14311	100.0
205.07115	2.7
209.15378	36.2
210.15559	2.3
231.04713	1.9
267.11285	2.3
267.15720	1.9
271.07965	3.1
307.10205	2.7
353.10175	10.5
419.74426	2.1
429.20969	3.2
471.21945	7.0
497.22119	3.4
515.09863	3.9
515.21326	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	514.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.2
53.03939	0.4
55.05515	0.4
56.96572	0.2
57.03431	0.4
60.39833	0.2
65.03923	0.5
67.05523	0.2
69.03422	0.7
69.07047	0.3
70.06599	1.9
71.13531	0.4
72.08143	0.6
77.03923	0.5
78.06174	0.2
79.05499	1.3
81.03407	0.9
82.83175	0.2
83.04997	0.2
84.04540	0.3
84.08144	0.5
85.02925	2.2
86.09722	1.6
89.02405	0.2
90.63758	0.2
91.04978	0.4
91.05493	5.4
91.43377	0.2
92.06290	0.3
93.07040	1.1
95.04967	0.5
95.08699	0.3
95.21246	0.2
97.02885	0.4
103.05469	1.0
104.04994	0.5
105.04498	0.3
105.05779	1.2
107.04949	0.7
108.08163	0.2
109.02900	0.4
109.06520	0.4
115.05489	0.4
118.06553	5.6
119.06027	0.4
120.04493	0.3
120.08117	15.7
124.46106	0.2
127.03876	0.5
129.10301	0.3
130.06525	0.4
131.04950	0.5
133.05278	0.5
136.07593	0.3
143.04877	0.3
148.07585	100.0
149.07924	1.2
149.09682	0.3
152.07089	0.3
164.07077	1.0
166.07281	0.3
166.08649	8.2
187.03893	1.3
193.12344	0.3
237.08040	0.3
238.08333	0.4
267.15897	0.3
285.16980	0.4
310.12863	12.3
353.10312	1.3
373.14468	0.3
406.38321	0.3
452.02524	0.2
496.32849	0.3
514.17181	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	513.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	15.5
55.05517	26.4
55.20327	9.3
57.03445	19.7
61.02924	16.6
63.40033	10.8
67.05502	43.9
69.07089	26.4
70.06595	26.0
71.04978	12.7
78.94195	9.9
79.05505	32.6
81.07069	64.0
85.02909	16.5
86.09718	13.9
91.05487	43.4
93.07076	54.3
95.08612	41.8
97.06557	16.8
105.07029	49.4
107.08623	42.6
109.06451	11.0
109.10146	17.7
117.07085	15.3
119.08595	28.7
121.10163	41.7
123.11681	23.7
123.23394	10.1
125.09627	14.6
128.77577	10.6
131.08595	14.8
133.10156	31.6
135.11662	15.7
137.09503	15.2
143.08600	11.9
145.10181	21.2
147.11678	51.3
149.13229	15.5
157.10089	12.9
159.11745	15.4
161.13306	21.3
171.11806	15.1
235.11864	10.9
241.19513	20.4
259.20691	40.0
267.15982	27.7
285.16980	14.0
351.25281	100.0
495.29254	15.9
513.17975	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	513.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	4.3
55.05506	12.0
57.03450	6.6
61.02924	16.3
67.05504	35.2
67.44287	3.3
69.03420	9.3
69.07053	9.5
70.72767	8.6
70.73093	4.1
71.04971	5.1
72.08140	4.0
79.05488	33.4
81.03394	4.2
81.07054	31.0
83.08652	3.8
83.61478	4.2
85.02905	16.6
85.06580	4.4
88.28532	3.4
91.03963	7.6
91.05482	31.6
93.07041	45.7
95.04955	6.3
95.08616	15.6
97.02877	11.3
105.07030	39.8
107.08601	27.5
109.10177	7.8
110.80318	3.5
117.07027	14.1
119.08588	38.6
121.10163	13.9
126.20937	3.4
129.07013	10.6
131.08537	24.7
133.10144	28.1
135.08041	4.6
135.11699	18.1
143.08563	14.3
145.10121	24.1
147.11685	26.7
149.13266	13.2
157.10149	9.0
159.11717	16.7
161.13258	15.1
163.14912	6.0
171.11713	12.5
173.13263	11.0
175.14870	9.4
183.11632	4.3
185.13312	9.8
187.14784	4.7
199.14760	9.2
200.12093	4.2
221.45885	4.1
228.14981	3.7
241.19525	21.8
257.18988	3.8
259.20602	49.7
264.29626	4.0
349.23785	6.6
351.25269	100.0
352.25845	4.5
363.25177	6.1
375.25525	5.6
403.24957	8.8
421.25668	8.4
441.26282	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	513.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93623	5.1
55.05517	12.7
57.03438	7.7
63.39813	4.8
67.05511	42.5
69.07069	17.4
71.23313	10.1
79.05495	25.0
81.07066	96.1
83.04994	7.5
83.08630	7.3
85.02907	6.4
87.25665	5.0
91.05493	30.1
93.07082	29.8
95.08615	24.5
97.06499	6.6
97.52331	5.3
105.07030	45.0
107.08592	16.2
109.06502	8.4
109.10109	7.6
114.47645	5.2
119.08589	44.5
119.47584	5.3
121.10133	25.3
123.11732	24.9
124.24498	5.3
127.07523	8.1
131.08531	5.2
133.10144	9.4
147.11702	76.0
159.11751	8.7
161.13206	7.4
165.12788	31.4
173.13226	6.7
175.11063	5.3
177.84258	4.9
183.13718	6.2
189.30331	5.3
202.46664	4.9
229.14384	7.9
241.19467	10.8
259.20609	18.3
267.15921	100.0
285.17007	58.1
309.45779	5.1
351.25455	38.7
354.38312	5.3
380.38028	5.5
477.28598	19.3
495.29425	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	14.5
56.23601	5.2
57.03456	6.9
61.02932	18.8
67.05517	32.5
69.03458	10.2
69.07077	14.0
71.04987	5.7
71.23957	6.1
71.24300	9.0
73.02956	8.4
74.97193	5.5
77.33109	5.6
79.05507	38.6
81.07083	37.3
83.04981	6.4
83.08637	5.1
85.02914	17.6
86.09688	5.9
91.03951	12.6
91.05494	33.4
93.07058	41.2
95.04945	8.2
95.08596	26.7
97.02903	11.9
105.07039	42.4
107.08615	24.4
107.29222	4.6
109.06519	5.8
109.10169	9.9
115.57423	5.9
117.07017	15.4
119.08561	33.2
121.10169	16.4
123.58523	5.2
125.82871	5.3
127.03973	7.2
129.07004	9.7
131.08562	17.9
133.10155	34.3
135.11717	24.2
137.09575	5.0
143.08586	18.3
145.10126	30.3
147.11713	27.2
149.13306	9.6
157.10179	16.3
159.11716	21.0
161.13286	24.9
169.10161	8.0
171.11717	14.2
173.13271	11.7
175.14793	11.2
181.35625	6.0
185.13280	12.6
187.14888	8.3
199.14899	7.9
205.10132	5.0
240.01427	5.5
240.81676	5.2
241.19540	23.4
259.20618	41.4
275.19980	6.1
351.25333	100.0
363.25244	10.3
402.66406	5.4
441.26410	9.4
477.28815	8.4
495.29132	11.1
513.18005	13.4
513.30859	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	513.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12412	2.3
53.03941	7.8
53.72468	1.9
55.01863	8.7
55.05517	16.7
55.28345	2.0
57.03440	5.2
57.72088	1.7
59.28143	1.9
59.88523	1.8
61.02921	3.2
61.91512	2.1
67.05513	10.2
68.99781	4.4
69.03092	3.8
69.03436	43.9
69.07072	13.2
69.36815	15.2
70.06586	8.7
71.04992	4.9
73.02910	6.8
79.05479	8.4
81.03423	33.4
81.07065	15.3
82.86737	2.0
83.04987	15.4
83.08595	4.2
84.08154	6.1
85.02910	62.2
85.06540	5.6
86.09694	7.3
87.00832	22.4
91.05488	15.4
93.07057	22.4
95.04968	34.1
95.08603	19.2
97.02901	23.6
97.06541	4.2
97.10190	2.3
98.21502	3.8
99.04460	15.8
101.06027	6.8
105.01875	16.2
105.07031	18.9
107.04931	3.8
107.08593	19.2
109.02894	37.7
109.06531	15.0
109.10153	13.7
111.04470	3.3
111.08077	3.7
115.03899	2.3
117.01817	3.0
117.07027	5.0
118.06513	2.2
119.04938	5.5
119.08572	15.4
120.08105	10.8
121.06519	7.2
121.10154	17.2
123.08111	5.3
123.11690	9.3
125.09639	2.6
127.03934	53.0
129.01886	3.2
129.06989	4.8
131.08568	8.6
133.06503	4.5
133.10133	9.1
135.08052	18.8
135.11678	12.7
137.06009	3.0
137.09610	3.0
143.08578	8.0
145.04967	15.2
145.10130	16.2
147.02914	3.1
147.08076	4.3
147.11681	14.0
148.07590	25.9
149.09637	7.6
151.07550	5.1
157.10172	3.7
159.02910	14.9
159.08011	6.5
159.11691	7.1
161.09616	6.5
161.13278	7.2
163.03856	2.4
163.11195	20.1
165.09082	3.1
165.12764	56.1
166.08701	2.6
169.10150	3.1
171.11697	6.0
173.09662	6.0
173.13185	3.2
177.09108	16.6
177.12691	3.4
177.16484	2.6
184.08598	1.8
185.13251	3.9
185.64204	2.1
187.03883	2.1
187.14850	7.3
189.09029	3.4
189.12767	8.2
191.06822	2.2
191.10677	8.0
191.14452	2.3
193.89801	2.4
201.16341	4.2
205.15906	17.6
211.14798	3.1
213.03929	4.9
219.17354	2.7
229.15857	13.5
231.05052	11.5
247.16965	100.0
265.18008	88.4
295.05875	4.4
321.07465	3.3
349.07498	2.3
495.09619	2.2
513.23322	13.3
513.61816	2.1
514.16864	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12412	2.3
53.03941	7.8
53.72468	1.9
55.01863	8.7
55.05517	16.7
55.28345	2.0
57.03440	5.2
57.72088	1.7
59.28143	1.9
59.88523	1.8
61.02921	3.2
61.91512	2.1
67.05513	10.2
68.99781	4.4
69.03092	3.8
69.03436	43.9
69.07072	13.2
69.36815	15.2
70.06586	8.7
71.04992	4.9
73.02910	6.8
79.05479	8.4
81.03423	33.4
81.07065	15.3
82.86737	2.0
83.04987	15.4
83.08595	4.2
84.08154	6.1
85.02910	62.2
85.06540	5.6
86.09694	7.3
87.00832	22.4
91.05488	15.4
93.07057	22.4
95.04968	34.1
95.08603	19.2
97.02901	23.6
97.06541	4.2
97.10190	2.3
98.21502	3.8
99.04460	15.8
101.06027	6.8
105.01875	16.2
105.07031	18.9
107.04931	3.8
107.08593	19.2
109.02894	37.7
109.06531	15.0
109.10153	13.7
111.04470	3.3
111.08077	3.7
115.03899	2.3
117.01817	3.0
117.07027	5.0
118.06513	2.2
119.04938	5.5
119.08572	15.4
120.08105	10.8
121.06519	7.2
121.10154	17.2
123.08111	5.3
123.11690	9.3
125.09639	2.6
127.03934	53.0
129.01886	3.2
129.06989	4.8
131.08568	8.6
133.06503	4.5
133.10133	9.1
135.08052	18.8
135.11678	12.7
137.06009	3.0
137.09610	3.0
143.08578	8.0
145.04967	15.2
145.10130	16.2
147.02914	3.1
147.08076	4.3
147.11681	14.0
148.07590	25.9
149.09637	7.6
151.07550	5.1
157.10172	3.7
159.02910	14.9
159.08011	6.5
159.11691	7.1
161.09616	6.5
161.13278	7.2
163.03856	2.4
163.11195	20.1
165.09082	3.1
165.12764	56.1
166.08701	2.6
169.10150	3.1
171.11697	6.0
173.09662	6.0
173.13185	3.2
177.09108	16.6
177.12691	3.4
177.16484	2.6
184.08598	1.8
185.13251	3.9
185.64204	2.1
187.03883	2.1
187.14850	7.3
189.09029	3.4
189.12767	8.2
191.06822	2.2
191.10677	8.0
191.14452	2.3
193.89801	2.4
201.16341	4.2
205.15906	17.6
211.14798	3.1
213.03929	4.9
219.17354	2.7
229.15857	13.5
231.05052	11.5
247.16965	100.0
265.18008	88.4
295.05875	4.4
321.07465	3.3
349.07498	2.3
495.09619	2.2
513.23322	13.3
513.61816	2.1
514.16864	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	1.6
56.96560	4.1
57.73640	1.2
58.98502	1.4
69.03411	2.3
69.13391	16.3
70.06601	7.7
72.08144	1.7
76.10989	1.5
79.74771	1.3
81.03420	1.6
84.08153	3.3
86.09706	4.2
91.05511	1.8
98.97591	10.4
109.02910	1.6
110.07194	1.7
110.97575	3.4
125.09711	1.5
219.01773	3.3
230.41493	1.6
237.03017	2.0
253.11143	2.2
265.11185	3.8
268.13791	1.4
271.12250	5.4
283.12207	7.8
307.12186	3.7
325.13016	2.9
389.06619	1.4
409.15671	1.6
427.16501	21.7
428.16934	1.6
445.17371	3.7
469.17773	14.7
513.17389	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	513.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	1.6
56.96560	4.1
57.73640	1.2
58.98502	1.4
69.03411	2.3
69.13391	16.3
70.06601	7.7
72.08144	1.7
76.10989	1.5
79.74771	1.3
81.03420	1.6
84.08153	3.3
86.09706	4.2
91.05511	1.8
98.97591	10.4
109.02910	1.6
110.07194	1.7
110.97575	3.4
125.09711	1.5
219.01773	3.3
230.41493	1.6
237.03017	2.0
253.11143	2.2
265.11185	3.8
268.13791	1.4
271.12250	5.4
283.12207	7.8
307.12186	3.7
325.13016	2.9
389.06619	1.4
409.15671	1.6
427.16501	21.7
428.16934	1.6
445.17371	3.7
469.17773	14.7
513.17389	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	511.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.4
55.01856	1.3
55.05502	1.1
57.03434	6.4
61.02932	1.3
69.03098	1.1
69.03438	15.7
70.06592	3.2
70.46351	0.9
71.01352	3.3
71.04991	4.3
71.49506	0.9
72.08149	0.8
73.02928	1.1
81.03428	5.2
81.07025	1.2
83.04990	1.6
84.08143	0.8
85.02924	5.1
85.03355	1.1
86.09708	1.7
91.05471	1.0
95.08607	0.9
97.02868	1.2
99.04452	18.3
103.03960	6.2
104.12993	0.8
105.07051	1.2
107.07594	0.9
109.02885	3.3
117.05473	5.9
118.06509	0.9
119.08553	1.0
120.08102	1.7
124.06093	0.8
127.03920	11.3
135.06525	3.6
135.08099	1.0
137.06039	0.9
145.07611	2.7
147.08105	1.4
147.09175	12.4
154.13683	0.7
159.06573	5.0
159.07858	0.7
159.09212	5.7
159.77620	0.7
160.09949	1.6
161.09610	2.4
163.03920	1.3
167.07022	2.0
173.07137	1.2
175.08742	1.1
177.07616	1.5
185.10735	13.5
187.08629	1.1
187.12346	1.7
189.10223	2.4
191.08168	45.9
197.10780	1.9
199.08571	1.1
199.12355	2.7
201.10265	1.0
203.11742	0.8
213.10266	1.3
215.11838	2.1
216.07712	6.5
223.42464	1.0
225.10214	1.2
225.57027	0.8
229.08504	0.9
245.12854	3.7
245.15314	1.5
255.11273	1.0
261.09732	0.8
263.14008	5.1
271.10776	1.5
277.81174	1.0
289.11935	4.6
305.14990	9.7
306.14429	1.1
307.12881	17.0
319.83984	0.8
324.15439	1.3
345.17810	1.1
350.13434	6.7
389.16959	1.3
432.17535	1.6
450.18454	1.3
451.17209	4.3
476.16672	1.8
494.17712	100.0
495.18228	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	15.5
57.03436	6.0
57.07071	5.4
67.05502	14.3
69.07072	23.6
69.32917	5.7
69.33340	6.0
71.05009	1.9
71.08636	2.8
79.05497	7.1
81.07060	15.4
83.08620	13.2
85.10174	2.0
91.05509	2.2
93.07050	10.9
95.08609	16.0
97.06522	2.6
97.10186	8.2
98.98474	30.0
102.07901	1.5
107.08611	7.4
109.10163	5.0
111.73473	1.3
118.20454	1.5
119.08636	1.8
119.90796	1.4
121.10139	8.7
123.11671	2.0
133.10149	1.5
135.11702	3.5
145.05806	1.8
145.10077	2.0
149.13239	1.8
155.01054	15.4
164.40842	1.5
229.04814	1.5
265.25281	3.8
339.28976	100.0
340.29251	2.1
456.94159	1.4
458.11676	1.7
475.28183	5.2
511.34030	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	511.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.01867	1.2
55.05520	0.8
55.60585	0.8
56.05011	0.7
57.03437	0.8
58.05785	0.7
60.04474	0.7
61.02926	0.7
67.05511	0.9
69.03432	5.6
69.07053	0.8
70.06580	3.0
70.40466	2.5
71.04995	0.9
72.08148	2.1
73.02948	0.8
78.20918	0.7
81.03424	4.9
81.07039	1.3
84.08154	1.6
85.02913	9.2
86.09698	2.9
87.00820	2.6
91.05458	1.6
93.07008	0.9
95.08636	0.7
97.02891	3.8
99.04452	1.1
103.05447	0.9
105.01864	1.6
107.04963	1.2
107.08607	1.3
109.02861	3.4
115.05461	1.1
120.08086	1.6
127.03922	6.5
129.06978	0.7
131.04965	1.4
135.08080	1.7
145.04967	2.6
147.04462	1.1
147.07930	0.8
153.01840	1.4
159.02971	1.6
159.04387	1.1
161.05974	0.7
167.07016	0.8
171.08101	0.7
171.13902	0.8
175.02472	1.0
175.03888	5.7
187.03857	6.4
189.05423	1.1
203.07025	11.2
217.08519	4.7
225.28407	0.9
227.07008	2.0
231.05087	1.5
233.08041	3.6
245.08087	22.2
263.09161	100.0
264.09482	2.2
302.14780	1.4
330.22998	0.7
511.18976	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.01865	1.1
57.03436	0.9
61.02911	0.8
68.99776	0.9
69.03435	3.4
69.76324	0.3
70.06596	1.2
70.76402	0.8
71.04991	0.7
71.52379	0.4
73.02902	0.4
78.67570	0.5
79.05491	0.9
81.03432	3.4
84.08110	0.5
85.02444	0.6
85.02917	7.0
86.09724	1.3
87.00841	3.3
91.05485	1.1
93.07081	0.4
95.04981	0.4
96.08891	0.3
97.02892	2.2
97.06535	0.3
99.04483	1.9
103.05504	0.6
105.01876	1.7
107.04924	0.6
107.08561	0.5
108.05593	0.4
109.02899	3.1
109.10181	0.4
127.03938	5.3
129.01813	0.5
131.04901	0.9
131.08597	0.4
139.05003	0.4
143.08577	0.4
145.04933	1.5
147.04416	0.9
147.08040	1.3
159.02901	1.8
159.04384	0.8
159.08090	0.7
167.06853	0.4
175.02611	0.3
175.03915	8.9
175.05331	0.7
176.04649	1.5
187.03911	2.0
189.05424	2.0
199.07657	0.5
203.07051	13.3
204.07399	0.4
205.05046	1.1
214.06242	0.7
215.06915	0.4
217.08604	4.2
227.07034	1.6
231.04976	0.7
233.08095	5.7
245.08116	17.8
246.08405	0.5
263.09167	100.0
264.09491	1.7
386.73737	0.4
467.18564	0.5
511.18304	0.7
526.37274	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.3
55.01874	1.2
55.05515	0.7
57.03426	0.5
59.98529	0.5
61.02908	0.5
66.96269	0.5
67.05499	1.2
68.99802	0.7
69.03434	4.4
70.06606	4.4
71.04963	0.7
71.49222	1.1
72.08140	1.3
73.02895	1.1
79.05476	1.8
81.03055	0.5
81.03429	5.1
81.07061	0.8
83.05003	0.9
84.04505	0.6
84.08128	1.7
85.02913	7.9
86.09694	2.4
87.00819	3.3
90.44318	0.6
91.05486	2.1
93.07033	1.4
95.04981	0.8
95.08624	0.8
96.36888	0.5
97.02888	3.2
99.04458	2.0
103.05489	0.8
105.01865	1.0
105.07020	1.2
107.08600	4.5
109.02882	3.1
109.06532	0.6
109.10169	0.9
110.07166	0.7
115.05488	0.6
117.07022	0.7
119.04918	0.8
119.08555	0.5
120.08112	1.6
121.06400	0.7
123.08094	0.6
125.09584	0.7
127.03931	5.0
131.04933	1.0
133.10065	0.6
135.08066	2.9
136.07578	0.8
137.06013	0.6
143.08524	1.5
145.04971	1.4
147.04411	1.0
147.07988	0.6
153.01927	0.5
153.09059	0.9
155.07007	0.6
159.02863	1.6
159.04375	1.0
163.03972	0.7
163.07536	1.4
175.03925	9.1
176.04663	1.4
177.05486	0.6
187.03876	3.9
189.05499	2.2
191.03571	0.9
199.03851	0.7
199.07582	0.9
203.03400	0.5
203.07034	14.7
205.04991	1.3
214.06242	0.8
217.08578	4.2
227.07040	1.8
231.04993	0.5
233.08081	6.3
245.08130	17.3
263.09158	100.0
264.09497	2.2
295.06079	0.7
337.03137	0.5
349.07523	0.6
391.08096	0.6
511.18381	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	17.9
55.05736	3.8
57.03438	8.0
57.07081	92.0
57.59369	4.1
60.08149	3.5
61.02939	4.2
67.05506	31.5
69.03423	12.1
69.07088	18.5
69.27982	18.8
69.28412	15.7
71.08636	87.5
71.22461	3.4
79.05492	5.2
81.03412	9.7
81.07065	46.6
83.08627	36.4
85.02914	30.4
85.10186	37.3
86.09693	10.5
95.08618	75.8
97.02899	12.4
97.10175	20.1
99.11752	5.1
104.10742	13.7
109.02898	10.3
109.10154	38.1
111.11696	3.9
119.08624	3.9
121.10150	4.3
123.11713	15.1
124.99995	5.7
127.03931	19.8
137.13304	11.0
145.04970	15.6
184.07372	14.9
221.22670	5.8
233.15512	3.8
239.23705	100.0
257.24722	4.4
300.86978	3.8
313.27393	95.4
331.28470	14.3
341.26361	4.2
383.27875	34.8
401.24240	6.0
401.29041	57.1
427.52585	3.9
484.35922	3.8
537.19739	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	510.3546
Annotation	PC(16:0/O-1:0)
Peak:m/z	Relative Intensity
56.05037	1.1
57.03439	1.0
57.07080	4.4
58.06604	1.2
58.19587	0.5
60.08169	17.1
67.05500	1.6
69.07058	1.3
69.47436	3.8
71.07388	7.2
71.08620	2.9
81.07076	1.6
83.08619	0.8
85.10193	1.2
86.09711	52.0
95.08624	3.4
98.98468	4.2
104.10751	100.0
109.10161	1.3
125.00013	26.5
155.50890	0.5
163.01549	0.8
184.07353	95.1
239.23840	1.3
254.33154	0.6
258.11096	1.8
313.27390	4.5
327.29022	1.9
414.04013	0.7
492.34552	9.2
510.35654	27.7
511.36206	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62926	4.1
53.03945	6.3
55.01870	11.8
55.05506	11.5
57.03436	4.6
60.04520	5.6
62.06083	16.4
67.05509	14.5
67.32127	4.7
67.98351	4.3
69.03426	14.2
69.07062	11.1
70.06593	50.0
71.04987	8.2
71.47484	8.6
72.08146	22.7
74.06072	4.9
76.88214	4.2
79.05499	15.6
81.03419	12.2
81.07065	41.5
83.04982	17.5
83.08654	4.0
84.04520	10.7
84.08143	19.4
85.02910	35.7
86.09718	33.4
87.00818	12.2
91.05502	34.5
93.03425	6.5
93.07043	23.8
95.04980	21.0
95.08601	17.2
97.02914	10.9
97.06503	6.6
99.04463	8.6
101.06012	6.4
103.05450	6.3
104.57439	4.1
105.01878	10.5
105.07037	15.8
106.04166	6.6
107.04958	10.4
107.08623	32.4
109.02880	13.2
109.06538	12.7
109.10167	13.6
110.07169	9.1
111.08059	11.6
113.02266	4.1
119.04959	25.2
119.08585	10.3
120.08105	16.8
121.02876	31.6
121.06500	19.8
121.10166	32.4
123.04433	5.5
123.08077	5.4
123.11695	5.3
125.09642	7.3
127.03917	16.7
127.07561	9.5
129.10303	9.9
131.04893	5.8
131.08540	5.2
133.10124	15.4
135.08037	5.3
135.11707	17.4
136.07530	6.6
137.05946	6.5
142.41612	4.3
145.02888	7.4
145.04951	7.5
147.04369	8.7
147.11696	10.7
149.05986	11.7
149.09645	6.4
149.13243	12.7
151.07568	9.8
153.09106	10.7
160.05307	5.1
161.05969	18.1
163.11118	5.2
163.14815	12.6
165.12741	7.4
167.07043	17.3
167.10713	8.1
167.14401	7.2
173.13220	5.9
175.07509	8.0
177.01859	5.7
177.05501	13.4
178.14470	5.3
179.07002	9.5
181.08594	10.3
187.03893	11.6
189.01839	5.1
189.87029	4.5
191.06984	7.4
191.10690	5.1
191.14291	29.9
192.07816	5.6
201.12238	6.8
203.03369	14.4
205.08612	18.1
207.02885	6.4
209.08150	43.0
209.11781	16.2
209.15381	91.5
215.03439	6.3
221.04475	6.0
223.04089	6.6
227.12831	12.0
227.16431	51.3
243.02872	4.7
244.13261	4.8
244.19077	15.2
245.13753	16.7
255.02919	10.7
255.06824	6.0
262.10898	10.9
262.14249	4.6
262.20020	8.8
279.06668	5.5
283.05942	7.5
295.06021	57.2
305.08014	4.9
307.06012	34.9
309.04211	5.5
309.07660	13.5
321.07495	36.4
325.06940	14.8
333.07471	17.9
335.09024	13.5
337.06934	10.2
345.07520	13.4
347.09097	9.4
349.07135	54.2
361.06940	25.4
363.08865	12.5
373.07074	15.8
374.07944	8.4
375.08499	11.5
379.08209	33.0
385.07159	11.0
387.08386	5.8
389.10242	11.6
391.08081	31.9
391.18826	7.9
397.09204	25.0
399.08746	7.7
403.08066	22.4
415.08176	8.4
421.09232	14.3
427.09338	16.7
429.09891	7.4
433.09225	11.3
437.12418	5.4
445.09155	18.9
457.09097	29.8
465.12009	5.4
475.10373	43.5
481.10849	6.3
492.23264	7.2
493.11426	72.0
511.12329	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31308	2.4
53.03947	3.2
55.01881	3.6
55.05516	6.5
57.03431	2.4
57.18545	2.5
65.03911	3.3
67.05514	5.4
69.03428	14.6
69.03736	2.8
69.07075	4.3
70.06583	7.8
71.48326	5.3
79.05489	2.7
81.03406	15.3
81.07053	6.1
82.06553	2.7
83.08649	2.8
85.02900	22.7
86.09707	4.8
87.00825	7.4
88.77798	2.4
91.04909	5.7
91.05486	100.0
93.07026	5.5
95.08596	6.9
97.02896	15.8
99.04462	6.9
100.11246	7.6
105.01856	5.7
105.07017	7.3
107.08589	6.1
109.02863	8.8
109.10139	4.9
119.08574	3.2
120.08910	3.5
121.10122	4.7
123.06924	2.8
127.03905	14.6
137.09550	3.0
145.04929	6.3
159.02898	8.0
163.03677	2.5
165.09096	3.1
167.03459	4.5
173.13342	3.3
175.11275	2.6
179.03432	3.1
182.15472	2.6
216.95924	2.4
222.15392	2.3
223.54341	2.9
233.04349	3.2
245.04517	4.2
251.07118	4.3
269.08133	9.7
270.20709	2.4
275.64905	3.3
275.67978	2.8
293.08029	5.9
311.08957	3.8
335.09085	13.8
353.10172	6.7
439.10239	4.1
510.18646	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	509.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72647	1.8
54.12074	1.7
55.05515	15.7
57.03431	7.4
57.07072	5.0
60.87800	2.0
65.03962	2.3
66.76726	1.8
67.05506	43.4
69.07069	19.5
69.70406	4.1
69.70818	6.9
71.30314	1.7
79.05490	13.6
81.07057	46.8
83.08606	8.1
91.05477	8.7
91.76421	1.8
93.07042	16.6
95.08060	3.0
95.08613	30.4
96.63504	1.9
97.06534	3.7
97.10187	4.9
97.86481	1.8
98.98473	47.5
105.07030	6.9
107.08617	9.2
107.10510	1.8
109.10159	9.4
119.08611	5.5
120.14475	1.7
121.10163	9.3
123.11694	3.9
133.10080	5.0
135.11649	4.0
147.11702	3.6
149.13213	3.2
155.01038	17.4
161.13260	2.7
173.02151	5.6
175.14929	2.7
210.67720	2.1
229.04893	2.0
245.22722	3.5
247.05760	2.5
263.23636	3.5
319.26392	3.0
337.27371	100.0
354.52875	1.9
473.26242	6.2
509.17194	2.3
509.35193	1.9
518.31268	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	509.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	13.2
54.97779	2.2
55.01880	14.6
55.05515	12.9
57.03432	10.5
57.07079	4.0
59.05006	2.7
61.02929	10.1
62.78507	2.1
67.05513	21.4
68.99795	10.1
69.03435	67.4
69.07073	14.7
70.00873	10.8
70.06583	7.4
71.01356	4.3
71.04985	11.0
72.08167	4.4
73.02925	12.2
79.05474	10.5
81.03423	61.0
81.07068	24.4
83.04965	4.7
83.08617	10.2
84.08162	3.2
85.02910	100.0
85.06553	26.1
86.09716	9.2
86.91290	2.2
87.00842	33.5
87.04488	4.9
91.05495	18.3
93.07053	23.3
95.04977	8.7
95.08613	23.8
97.02901	37.2
97.06516	4.6
97.10207	4.1
99.04463	24.9
100.11244	7.9
101.02388	2.3
103.05496	2.9
105.01869	30.4
105.07037	30.4
107.04951	3.6
107.08588	20.6
107.71513	2.2
109.02891	65.4
109.06558	3.5
109.10171	18.6
111.04424	7.1
111.08076	5.9
113.06041	2.7
115.05427	3.9
117.01838	6.5
117.07033	7.6
118.06572	2.7
119.04977	2.9
119.08599	34.3
120.08073	3.7
121.06511	7.6
121.10152	23.1
121.24290	2.6
123.04441	3.8
123.08074	6.5
123.11709	6.9
125.09650	6.6
126.29079	2.9
127.03924	91.6
128.06250	3.6
129.01830	7.5
129.06995	5.5
131.04924	6.6
131.08566	25.4
133.06567	3.6
133.10132	34.8
134.03618	5.6
135.11661	13.7
136.78348	2.7
137.05986	4.7
137.09575	3.3
139.07527	2.8
141.07047	2.2
143.08563	10.6
144.09334	2.9
145.04977	28.5
145.10126	42.5
146.06020	5.3
147.02885	5.2
147.04398	4.8
147.08072	4.1
147.11720	19.9
149.05936	3.6
149.13307	5.6
153.29836	2.3
157.10167	13.1
158.10960	5.2
159.02910	32.8
159.04408	7.6
159.08076	3.0
159.11705	37.4
161.05986	2.5
161.09541	4.7
161.13275	12.6
162.03156	7.8
163.03891	15.4
163.11185	3.5
165.09177	3.5
169.10181	3.2
171.02989	2.5
171.04431	3.7
171.11728	11.6
173.09697	3.2
173.13277	38.5
175.03941	9.1
175.14845	31.8
177.04034	2.0
177.05469	41.8
182.15407	5.0
183.11815	3.0
185.13307	9.1
187.03946	6.9
187.14836	33.0
189.04001	4.2
199.14964	4.9
201.09236	3.7
201.16365	29.0
203.17938	10.2
205.04977	3.3
210.14861	6.5
213.03839	3.4
215.07086	2.4
225.09200	3.5
229.08495	3.5
230.15379	4.8
231.04988	13.7
241.19444	5.3
243.10213	6.1
243.21120	57.4
247.09679	19.9
259.20615	6.9
261.07550	2.7
261.08417	3.4
261.11237	33.0
261.22101	25.8
273.22232	2.6
285.22037	3.9
301.03656	3.6
303.23090	4.8
322.20218	5.3
349.55457	2.7
407.93253	2.2
425.11005	4.4
491.26974	3.8
509.16541	6.1
509.27930	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	509.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.8
55.01886	3.3
55.02105	1.0
55.05500	0.6
57.03417	2.0
61.02920	2.0
68.46925	0.6
68.99779	2.8
69.03433	12.4
70.06564	0.9
71.04999	1.0
71.48858	0.9
73.02917	2.1
79.05501	1.3
79.83949	0.7
81.03422	13.3
81.07059	1.8
83.04997	0.7
84.94191	0.7
85.02910	18.3
87.00836	7.5
91.05461	1.4
93.07037	1.2
95.04933	1.3
97.02895	6.0
99.04465	4.0
103.03930	2.7
105.01904	4.4
105.07027	2.3
107.04950	0.7
107.51280	0.7
109.02886	11.1
109.06483	1.3
111.04447	0.7
117.01873	1.6
119.04911	1.1
119.08610	0.8
121.06497	1.0
123.04497	0.9
125.02351	0.9
127.03920	11.5
128.06198	1.1
129.01874	1.7
129.06989	1.8
131.08588	0.9
133.06509	0.8
135.08035	0.8
135.44562	0.6
137.05920	1.4
141.06914	0.8
142.07748	1.4
143.08565	2.4
145.04962	3.3
145.06465	1.5
145.10147	1.3
147.02875	1.0
153.05344	0.8
153.06911	0.9
155.08572	4.1
157.06560	0.7
157.10120	1.4
158.07285	2.5
159.02921	6.4
159.08087	2.7
161.06010	2.0
163.07564	2.2
169.06458	1.3
170.29230	0.7
171.08072	2.5
172.08838	1.3
173.06013	1.7
173.09616	3.9
174.06734	1.0
175.07524	2.7
175.11160	1.3
177.05362	0.8
182.07350	0.9
183.08012	4.9
184.08885	1.1
185.05966	3.4
185.09633	2.6
186.06807	0.9
187.07584	1.6
187.11116	0.9
188.08315	4.3
189.03915	2.6
189.05492	2.8
189.09142	2.2
190.09918	1.7
191.10681	4.8
197.06013	1.5
199.07529	1.4
199.11176	0.8
200.08353	2.8
201.05467	1.6
201.09042	3.3
203.10683	32.8
210.06712	4.4
211.07524	4.4
212.08369	1.0
213.05484	15.1
213.12769	0.7
215.07202	1.3
215.10696	4.4
217.08585	1.4
217.12292	4.7
219.10170	5.4
225.09105	11.9
227.07080	2.3
228.07817	6.6
229.08641	1.5
229.12291	2.1
231.05042	0.8
231.10204	0.9
241.12178	1.7
243.10184	100.0
244.10562	1.4
245.08067	2.2
246.08456	3.4
259.13315	1.5
261.11246	46.4
285.11288	0.9
289.05286	1.0
307.13208	1.9
391.10196	1.5
393.62268	0.8
405.15469	1.7
429.15329	1.2
447.16849	1.6
448.08777	0.7
491.15460	6.7
494.14072	1.0
509.16522	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	6.0
55.01871	4.3
57.03436	3.4
61.02922	2.3
67.05504	1.0
67.74374	0.8
68.99779	2.7
69.03435	15.5
70.10332	1.3
70.10678	3.2
71.05010	1.0
73.02895	3.4
79.05491	1.5
81.03415	18.5
81.07051	2.2
83.04964	1.3
85.02910	23.4
87.00829	14.6
91.03956	1.4
97.02902	10.7
99.04450	4.4
103.03947	4.0
105.01874	4.1
105.07035	4.8
107.05006	1.5
109.02881	12.9
109.06527	2.2
111.04450	1.5
115.05486	1.4
117.01861	2.1
117.06980	2.6
119.04942	1.5
121.06544	1.5
124.91816	0.9
125.02364	0.9
127.03932	15.8
128.06248	2.6
129.01826	2.5
129.07007	2.6
130.07771	2.1
131.04938	1.3
131.08549	1.7
137.06012	2.0
141.06995	1.4
143.08586	3.8
145.04950	3.3
145.06493	1.5
145.10121	2.8
147.02910	2.9
147.08052	1.3
149.06017	1.1
153.07040	1.2
154.07849	1.4
155.08597	6.6
157.06479	1.5
157.10149	2.2
158.07275	3.4
159.02930	5.5
159.08109	1.8
161.05983	2.6
163.07513	2.7
171.08084	4.5
172.08849	2.1
173.06047	2.7
173.09636	4.5
174.06795	1.8
175.07599	5.9
175.11134	2.1
176.08392	1.2
183.08078	3.1
184.08858	0.9
185.06042	4.7
185.09587	4.9
187.07585	3.5
188.08321	7.5
189.03967	2.2
189.05484	4.4
189.09044	2.4
190.09982	1.1
191.10652	6.9
195.08075	1.1
199.07561	3.4
199.11215	1.7
200.08374	3.1
201.09105	5.3
203.10680	56.5
210.06749	2.7
210.12199	0.9
211.07547	5.5
213.05484	17.2
213.08867	1.4
214.06107	1.3
215.07103	1.5
215.10683	3.4
217.08630	2.3
217.12207	6.2
219.10201	5.8
225.09094	10.8
227.07082	2.0
228.07884	6.7
229.12320	3.7
231.05046	2.4
241.12314	1.8
243.10187	100.0
244.10658	1.2
245.11900	1.2
246.08398	1.4
259.13370	2.4
261.11237	43.8
269.11694	1.5
285.11255	1.8
307.13254	4.3
325.14334	1.8
351.12546	1.2
391.10342	1.4
405.15485	2.9
429.15390	1.7
447.16599	2.6
491.15579	8.6
509.16412	3.7
509.22961	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.0332
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07418	0.4
69.25696	2.6
69.26122	1.3
73.74523	0.5
98.97565	1.5
101.00890	2.0
117.60719	0.5
119.01930	3.6
137.03023	0.6
158.99864	1.9
172.49799	0.5
177.00963	10.8
182.99791	0.5
201.00949	3.2
216.98984	0.8
217.04149	3.0
218.98839	1.0
219.02025	21.3
220.02200	0.8
222.97896	0.4
224.98911	0.6
225.00809	3.0
234.99959	1.2
236.00124	1.1
236.99756	1.1
240.98946	1.5
241.99115	1.0
242.98846	1.7
243.02010	15.2
244.02193	0.6
247.94257	0.4
259.00018	6.2
260.00076	3.3
261.00146	4.4
261.03073	100.0
262.03256	4.4
263.03198	0.8
264.99042	1.1
276.98129	0.9
277.01068	3.0
278.01181	1.7
279.00882	2.5
280.01376	0.5
283.00012	12.1
284.00122	7.5
284.04794	1.2
284.99820	7.0
285.99869	1.6
300.97995	0.4
301.01056	9.8
302.01233	6.9
303.00888	5.9
304.00952	1.0
318.98831	0.8
342.98904	0.5
347.74097	0.4
349.97855	0.5
355.45288	0.5
358.46890	0.5
359.00485	0.9
361.00098	2.8
367.02213	3.1
383.00003	1.0
385.03387	25.4
386.03387	1.3
398.94772	0.8
401.01523	3.4
402.01205	1.8
403.00278	5.6
403.04254	15.2
404.04568	0.6
408.00192	0.6
408.05115	1.0
425.01117	2.4
426.01352	4.2
437.99423	0.7
443.02487	3.2
444.02356	6.7
445.02057	1.8
446.01505	0.6
446.50339	1.2
447.50723	0.5
447.57608	0.5
456.00555	0.8
467.02380	0.5
475.99069	0.9
499.49060	0.7
499.99310	1.0
501.97369	0.6
509.03592	9.6
510.02768	1.1
517.50323	0.7
526.93512	0.7
527.01172	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	508.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.8
55.01862	2.6
55.05508	15.1
56.99605	1.4
60.04512	1.8
61.02926	2.1
67.05505	4.2
69.03438	8.8
70.06597	15.8
71.04986	6.6
71.48644	2.3
72.08143	6.9
73.02905	2.2
74.06066	1.9
75.20477	1.5
79.05491	2.1
81.03420	7.4
81.07055	4.9
83.04974	15.9
84.04527	3.3
84.08147	6.2
85.02910	24.1
86.09704	8.7
87.00817	7.4
91.03947	1.8
91.05463	5.3
93.07046	4.4
95.04974	90.5
95.08598	6.0
97.02893	8.9
99.04458	18.8
105.01852	5.8
105.07034	4.3
107.08596	4.1
109.02869	6.1
109.06519	3.2
109.10120	4.5
110.44497	1.7
112.63405	1.6
119.04875	1.9
119.08564	5.2
120.08135	10.3
121.06525	2.5
121.10123	4.4
123.08064	3.5
123.11689	2.1
125.09641	7.4
127.03933	12.5
129.10280	2.0
135.08076	3.0
136.07523	5.1
137.05983	2.0
137.09639	3.8
145.04947	4.9
145.10129	2.8
147.11649	3.3
149.09622	15.6
153.07927	2.8
153.09102	39.3
159.02884	5.0
159.11725	1.8
161.13255	3.7
163.11206	2.5
165.12842	2.0
171.11610	2.4
177.12698	1.7
187.85237	1.7
189.12747	6.2
196.06143	1.7
207.13786	17.4
225.14862	100.0
231.04932	2.3
243.15891	2.5
367.81003	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.0
55.01875	13.8
55.05501	7.5
57.03424	7.9
61.02908	8.8
67.05489	10.0
68.99788	4.8
69.03436	40.4
69.07063	9.7
69.19832	6.6
69.20251	18.2
70.06579	7.0
71.04973	5.5
72.08169	2.7
73.02910	9.8
79.05515	4.9
81.03423	43.0
81.07052	13.3
83.04968	2.6
83.08622	2.9
84.08150	3.6
85.02911	100.0
86.09694	7.8
87.00328	2.2
87.00838	40.6
91.05473	4.3
93.07041	8.4
95.04977	19.4
95.08613	30.7
97.02899	37.6
97.10147	3.1
98.21507	5.1
99.04465	22.5
99.08064	3.2
101.05981	4.5
104.16865	2.4
105.01867	38.5
105.07018	8.9
107.08607	14.0
108.04456	2.7
109.02889	39.3
109.06519	8.5
109.09476	4.1
109.10162	52.8
111.04440	5.6
111.08067	10.1
113.09586	2.1
117.01841	5.3
119.08572	6.0
120.08109	6.6
121.06508	3.0
121.10161	7.6
123.04505	2.4
123.11702	17.5
125.05981	9.0
127.03927	87.0
127.07607	3.2
129.01826	4.9
129.05469	3.1
131.08537	2.6
133.10155	3.2
135.11729	5.4
137.06013	14.3
137.09605	2.6
139.07542	7.4
145.04979	44.6
145.10080	3.3
146.06000	3.1
146.29214	2.4
147.02846	5.1
147.11685	6.5
151.07500	8.1
151.11195	4.1
153.11517	4.5
153.12761	88.7
159.02908	25.7
159.11617	2.4
161.13249	4.4
163.11160	4.5
165.12753	44.0
171.11638	2.8
179.14299	5.5
189.12788	10.2
192.70648	2.3
207.13821	74.7
209.79305	2.2
213.03943	4.3
225.14880	78.6
231.05025	27.4
243.15991	15.1
249.06125	10.0
455.18790	4.5
456.78680	2.6
473.20178	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	508.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03420	1.0
69.50689	1.0
69.51086	3.6
69.70313	0.6
70.06584	2.1
77.03985	0.5
79.05491	1.5
84.08155	1.0
85.02880	1.3
86.09700	1.5
89.03926	1.4
91.05462	1.0
93.00964	0.5
93.07062	1.3
97.02903	1.3
98.97604	1.6
103.05468	7.7
107.04947	2.4
110.97589	0.9
117.03430	0.9
120.08112	100.0
121.08440	1.3
127.03954	0.8
131.04933	2.1
135.04446	1.5
136.07607	0.8
145.02855	1.3
145.04977	0.8
149.05988	2.3
163.03917	6.4
164.04236	0.7
166.08649	52.8
167.09132	0.7
186.83722	0.5
217.11949	0.6
219.01741	0.8
400.29733	0.6
415.09616	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.2
54.05126	1.6
55.01867	2.1
55.05514	24.4
57.03440	9.5
57.07084	9.5
59.05009	3.6
65.03911	3.3
67.05509	100.0
69.07074	18.5
69.23318	1.6
69.28298	7.3
69.28731	5.9
71.04981	4.0
71.08620	5.4
76.89764	1.5
79.05490	32.1
81.07062	69.6
83.04987	3.6
83.08627	15.9
85.06546	4.7
85.10178	3.7
91.05484	27.1
93.07053	37.7
95.04941	2.9
95.08610	39.3
97.06532	3.0
97.10179	11.4
105.06409	1.8
105.07050	17.5
107.08605	24.3
109.06527	1.9
109.10166	65.0
111.08051	5.0
117.07031	7.1
119.08587	15.0
121.10163	14.8
123.08043	2.2
123.11719	8.3
124.90200	1.3
125.09642	10.1
129.07042	2.2
131.08568	12.3
133.10143	11.5
133.63176	1.6
135.11716	13.9
137.09586	3.9
137.13254	3.0
139.11160	4.4
143.08604	3.0
145.10121	11.5
147.11685	8.7
149.13260	9.1
153.09163	2.0
155.10674	6.0
157.10075	1.5
159.11707	9.0
161.13266	6.1
163.11186	2.4
163.14864	3.1
171.11693	2.8
173.11751	12.6
173.13260	6.4
175.14835	3.0
177.12721	3.0
185.13362	2.3
187.14757	2.6
189.11205	6.1
195.13733	2.3
227.12825	7.1
229.14348	33.0
231.15854	2.2
239.23825	1.9
243.21045	2.6
259.20493	3.0
261.22180	24.8
277.21774	1.5
279.23050	2.0
317.24683	4.1
335.25833	19.3
342.67526	1.8
351.24902	1.6
379.29962	3.2
397.30960	5.9
411.30511	1.6
412.65997	2.0
415.32144	8.9
433.33066	4.7
449.32144	1.7
471.34839	3.0
489.35739	35.7
490.36423	1.9
507.35583	22.1
525.81232	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.0
55.01873	3.2
55.05515	28.7
57.03438	5.9
57.07079	10.1
59.05011	2.3
59.16597	1.6
65.03945	4.2
67.05508	100.0
68.05836	2.0
69.07078	19.2
69.29044	16.9
71.04995	4.3
71.08628	7.3
73.16269	2.0
79.05498	33.7
81.07056	70.3
83.04961	3.9
83.08616	18.9
85.06541	5.0
85.10177	2.7
90.10706	1.7
91.05482	23.7
93.07050	42.3
95.04954	3.0
95.08608	43.3
97.06530	4.5
97.10177	14.0
104.13356	2.0
105.07021	15.8
106.49358	1.9
107.08604	27.2
109.10159	57.7
111.08094	6.4
117.07011	6.6
119.08570	16.5
121.10153	17.4
123.11719	10.3
125.09643	14.0
129.07007	2.2
131.08559	10.3
133.10158	12.2
133.31236	2.1
135.11699	15.1
137.09615	3.0
137.13220	4.9
143.08569	3.7
145.10089	9.2
147.11674	8.9
149.13274	12.6
155.10672	5.2
157.10042	1.9
159.11690	10.9
161.13239	6.1
163.14835	2.5
171.11690	2.6
173.11737	10.5
173.13287	7.7
175.14905	3.3
177.16266	2.3
185.13162	2.4
187.14903	2.3
189.11198	4.5
195.13893	2.4
227.12770	9.2
229.14351	26.7
239.23642	1.9
243.21111	5.4
259.20490	3.1
261.22168	28.3
263.23795	3.9
316.55640	1.9
317.24765	4.2
335.25842	19.7
397.30881	3.9
415.31921	6.3
433.33286	5.1
471.34863	2.6
489.29919	2.8
489.35892	27.4
507.24213	6.6
507.36624	21.1
518.79321	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2725
Annotation	Amoritin
Peak:m/z	Relative Intensity
53.03926	1.6
55.05516	12.3
55.73044	1.6
57.03448	8.8
57.07086	1.9
65.03945	1.7
67.05511	46.3
69.07071	11.4
71.22490	1.9
71.22836	3.2
72.98695	1.8
75.04480	2.0
76.06867	1.8
79.05499	25.2
81.07060	40.3
83.08614	4.8
89.74092	1.6
91.05482	14.9
93.07050	35.6
95.08054	2.9
95.08611	30.4
98.98476	58.1
105.07037	12.0
107.08602	21.0
109.10156	14.9
117.07041	2.7
119.08601	13.6
121.10133	13.8
123.11701	4.3
131.08569	6.5
133.10141	10.2
135.11734	8.9
145.10126	6.9
147.11691	5.9
149.13261	6.6
155.01048	18.3
159.11671	4.7
161.13243	6.7
163.14812	3.8
168.85608	1.6
173.02100	9.5
173.13229	3.2
175.14754	2.0
177.16304	1.7
187.14752	2.3
221.15193	1.7
229.04715	2.5
243.21133	6.5
247.05833	3.9
261.22092	14.1
317.24777	11.0
335.25818	100.0
336.26141	3.0
467.37332	2.0
471.25043	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	507.2204
Annotation	Repandin D
Peak:m/z	Relative Intensity
55.05503	1.2
69.03419	1.3
69.07054	1.0
70.06572	0.7
71.48643	1.1
79.05489	1.3
81.03417	1.7
81.07059	2.6
91.05477	1.4
93.07042	2.2
95.04981	0.9
95.08608	1.7
97.06519	0.6
98.97572	1.0
105.07021	2.1
106.83605	0.6
107.08651	1.1
107.88309	0.6
109.10182	0.9
112.74207	0.6
119.08618	1.5
123.08114	0.6
133.10139	1.4
145.10098	0.9
147.11682	0.6
149.13358	0.7
159.11740	0.8
171.11812	0.7
185.04190	1.4
227.05270	1.3
241.15483	0.7
245.06406	1.1
259.16727	2.1
289.05408	2.2
319.01437	0.8
359.55600	0.8
421.22092	6.4
463.23071	24.8
507.22058	100.0
508.22485	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	507.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.3
53.98873	1.4
55.01878	2.2
55.05510	2.4
65.03940	6.2
67.05499	4.3
69.03428	5.6
69.07090	2.6
69.90876	6.6
70.06608	3.0
71.04980	1.9
79.05495	3.7
81.03426	4.8
81.07056	5.1
81.55359	1.3
83.05000	2.3
83.08611	1.5
84.08143	2.0
85.02918	4.7
85.06540	2.1
86.09689	1.7
87.00836	1.7
91.05484	100.0
93.07032	6.9
95.04990	3.5
95.08613	5.2
97.02869	2.9
97.06541	2.7
99.04454	2.5
105.07068	5.3
107.08588	5.0
108.02045	2.1
109.02888	4.1
109.06511	1.8
109.10168	4.3
110.07173	1.3
117.07059	1.4
119.08576	4.0
120.08141	2.4
121.06490	1.6
121.10147	2.5
123.11755	2.0
125.09603	3.8
127.03922	4.7
131.08546	1.6
133.10083	2.7
135.08047	1.7
135.11684	1.9
137.05994	3.5
137.09602	2.4
143.08488	1.5
145.05070	1.2
145.10130	3.4
147.11731	1.5
149.13354	1.9
151.03906	42.7
151.07510	2.5
151.11186	1.4
159.11685	2.4
163.03873	2.6
165.09116	3.7
169.04996	5.8
169.10211	1.4
173.13330	1.4
175.14854	1.4
177.05504	2.7
185.13295	1.9
189.09094	1.7
199.07523	2.4
199.14845	1.4
213.03911	2.0
231.05136	1.6
236.25705	1.4
241.08621	3.7
259.09796	4.2
289.05139	1.4
305.89240	1.7
340.19891	1.3
373.16565	1.8
388.52457	1.3
399.09268	4.5
417.10248	3.1
434.88086	1.6
465.23013	1.4
507.21838	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	505.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80594	0.8
55.05514	12.5
57.03437	2.6
57.07074	4.0
67.05516	5.1
69.07076	13.9
71.08624	3.5
74.83536	0.9
78.09041	0.7
79.05505	1.9
81.03417	1.6
81.07061	3.7
83.08625	10.9
85.10171	2.1
91.05479	1.3
93.07053	2.2
95.08633	2.6
97.10167	6.7
98.21542	1.7
105.07040	1.1
107.08615	1.6
109.10158	2.8
111.11736	2.0
115.03705	2.7
119.08577	1.7
120.96645	2.3
121.10160	1.8
133.10092	1.7
135.11734	1.0
147.11771	1.1
156.97504	2.9
174.98570	1.8
176.99263	27.5
195.00314	55.2
213.00121	4.9
214.33946	0.9
229.14296	0.9
229.32419	0.9
231.01245	0.9
240.88565	0.9
259.20865	1.0
269.03818	2.7
311.25839	16.5
351.25107	5.3
385.17883	0.9
413.20663	11.9
414.06900	1.0
431.21609	2.2
449.21631	1.1
487.24509	7.6
505.25409	100.0
506.25620	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	504.332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.3
57.53936	1.1
64.55821	1.0
69.07066	2.1
70.06594	3.7
71.48896	1.4
81.03459	1.4
81.07047	3.4
84.08144	1.5
85.02933	1.9
86.09695	2.6
93.07054	2.2
95.08604	2.3
97.02944	1.1
104.44400	1.2
105.07043	2.2
107.08581	1.9
109.10165	2.5
118.06573	3.2
119.08580	2.0
132.08098	2.3
133.10170	1.4
146.09656	2.4
147.11722	1.5
159.11763	1.2
162.09187	3.9
166.03075	1.4
172.96407	1.4
176.10741	4.8
185.09735	1.2
190.05093	1.3
190.12311	7.2
204.62907	1.3
211.07520	2.3
213.05505	5.8
215.10599	1.7
225.09126	1.9
232.09720	3.8
232.16931	1.2
243.10187	28.5
246.11342	1.7
340.26337	2.6
368.26001	3.4
386.26947	2.7
400.75650	1.2
418.29700	1.4
448.30701	12.1
504.33228	100.0
505.33893	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	504.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.5
55.01867	2.3
55.05517	5.0
57.03429	1.8
57.07070	1.7
61.02921	1.2
67.05505	8.8
68.99775	1.3
69.03444	11.2
69.07074	5.1
69.17194	2.8
69.17606	5.9
70.06574	2.4
71.04994	1.9
73.02896	1.6
78.95322	0.8
79.05502	5.7
79.83093	0.7
81.03426	7.8
81.07061	25.6
83.04986	1.3
83.08624	2.3
84.08165	1.2
85.02914	27.9
85.06538	1.5
86.03232	0.9
86.09695	1.7
87.00836	12.6
91.05479	8.0
93.07053	10.4
95.04951	0.9
95.08617	34.9
97.02896	9.0
97.06523	1.5
97.10180	1.6
98.20745	1.9
99.04465	4.8
105.01877	14.6
105.07033	21.2
107.08601	15.7
108.04503	1.1
108.08922	0.8
109.02889	10.0
109.06504	1.1
109.10169	17.2
111.08099	1.0
117.01844	1.4
117.06878	1.0
119.08593	15.0
120.08075	1.3
121.10167	8.8
122.38972	0.8
123.08078	1.1
123.11719	7.2
125.09631	2.0
127.03928	18.9
129.01874	1.4
129.10052	0.8
131.08577	2.2
133.10139	12.4
135.11693	3.3
137.05936	1.0
139.11256	0.9
145.04973	8.3
145.10115	2.3
145.60042	0.8
147.11702	47.6
148.12033	1.0
149.13257	3.0
150.13632	1.1
157.10176	1.0
159.02904	4.4
159.11705	1.1
161.09616	1.1
161.13292	5.0
163.14859	1.1
175.14748	1.9
189.16464	0.8
201.16409	0.9
203.17973	100.0
204.18279	1.6
205.19493	1.1
207.62296	0.8
221.15460	1.3
221.19011	19.7
231.04993	6.6
239.20099	3.8
245.18796	1.0
249.06117	1.9
287.60733	1.0
293.19031	1.0
298.66180	0.9
455.67380	1.1
460.22327	2.8
504.21228	11.7
504.32947	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.5
54.83788	2.8
55.01867	4.6
56.52107	2.5
57.03425	5.6
61.02920	4.7
66.14580	2.6
66.77448	2.9
67.05501	5.1
68.99795	3.3
69.03429	37.3
69.07060	5.5
69.16322	21.4
69.16746	5.8
71.04985	5.1
73.02921	6.5
75.76122	2.7
79.05486	3.3
80.60884	2.3
81.03432	21.0
81.07037	9.5
82.76050	2.7
85.02908	100.0
87.00833	39.7
91.05459	5.9
93.07003	5.6
95.08595	10.5
97.02380	2.9
97.02909	29.0
97.06522	3.0
99.04463	13.3
105.01865	56.2
105.07021	8.7
107.08591	6.2
109.02899	27.2
109.10148	5.2
116.12384	2.3
117.01857	2.9
119.08564	8.8
121.10108	4.3
127.03920	81.2
133.10132	5.9
135.11667	3.4
145.04967	35.6
147.11667	8.7
159.02898	9.1
161.13240	3.9
175.97501	2.5
187.71239	2.3
198.09966	2.3
203.17964	12.5
213.04016	2.4
221.18956	5.9
231.05003	31.0
239.20085	13.0
249.06108	11.2
323.72629	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.7
55.01865	1.9
55.05512	0.6
56.05013	0.7
57.03416	1.1
57.05835	0.6
60.04520	0.8
61.02921	1.4
69.03426	5.0
69.07093	0.6
69.08721	0.5
70.06593	4.4
71.48380	0.8
72.07812	0.7
72.08162	9.1
73.02910	2.2
81.03423	5.6
84.04488	2.0
84.08128	2.3
84.75571	0.5
85.02911	10.8
86.09711	11.1
87.00838	3.9
87.04465	1.3
89.06035	54.0
96.04457	1.0
97.02896	4.2
98.06001	0.7
99.04403	1.5
105.01849	2.5
106.80872	0.6
107.05001	0.6
107.07080	0.8
109.02888	3.8
110.07145	0.6
111.04469	1.4
120.08085	3.2
120.47887	0.5
124.07584	2.1
127.03926	5.4
129.01881	0.7
129.10228	1.4
133.08606	27.8
136.07535	0.8
143.11757	0.7
145.04988	1.6
151.09688	3.0
152.07004	0.7
157.13402	0.6
159.02898	1.4
163.03841	1.2
164.04488	0.6
177.11241	5.3
180.10123	0.6
187.07117	1.4
187.10796	1.7
190.08659	0.6
195.12370	1.3
201.12383	0.6
207.07593	0.6
208.07898	0.9
208.09714	2.2
215.10301	0.7
220.09698	1.0
239.14899	100.0
240.15215	2.1
272.15933	0.8
286.13922	1.1
300.15479	1.3
342.13547	1.5
504.21362	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3734
Annotation	Quercinic acid C
Peak:m/z	Relative Intensity
53.03947	4.0
55.05273	1.1
55.05517	17.4
55.36551	0.8
57.03438	2.7
57.07077	2.8
59.05017	1.4
65.03940	4.1
67.05509	62.8
69.03432	1.1
69.07076	13.0
69.46139	6.4
71.04990	5.7
79.05498	36.9
81.03410	1.7
81.07061	100.0
83.04964	1.8
83.08619	7.1
85.06554	14.0
91.04913	1.5
91.05483	26.1
93.07052	37.3
95.04972	3.0
95.08614	25.0
96.40946	0.7
97.06555	2.7
97.10184	2.3
105.04501	1.3
105.07038	17.1
107.05009	0.8
107.08604	20.1
109.06516	1.2
109.10159	11.3
111.08110	1.0
117.07034	4.5
119.08589	12.7
121.10146	16.0
123.08016	1.3
123.11723	12.7
129.07036	2.2
131.08586	7.8
133.10144	18.3
135.11685	9.5
139.11201	1.3
143.08572	2.4
145.10136	6.7
147.11694	6.2
149.13274	3.9
151.11194	5.8
153.12724	1.9
157.10133	1.9
159.11687	5.3
161.13266	4.5
163.14859	1.4
169.12279	2.7
171.11800	0.9
173.11984	0.9
173.13248	4.6
175.14880	1.7
185.13362	1.2
187.13332	9.4
187.14888	1.9
189.16435	0.8
197.13400	0.9
201.16557	1.1
227.16350	1.9
241.19678	1.0
243.20895	1.3
259.20670	1.1
261.22162	5.8
299.23703	1.2
347.52603	0.9
393.31589	1.9
411.32773	3.7
429.33768	1.6
485.36169	4.2
503.25012	2.6
503.37375	75.8
504.37558	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	503.3368
Annotation	CHEBI:67909
Peak:m/z	Relative Intensity
53.03931	1.0
55.05511	3.3
67.05499	5.0
69.03430	2.5
69.07063	3.0
70.06596	1.9
70.50484	1.9
70.50857	2.1
79.05499	4.7
81.03442	2.0
81.07050	6.3
83.04969	2.8
85.02904	3.6
86.09711	1.3
87.00849	1.5
91.05473	5.2
93.07047	9.0
95.04990	1.5
95.08607	9.7
97.02888	1.8
97.06547	2.4
98.97586	3.2
105.07037	12.7
107.08611	10.8
109.06514	1.8
109.10177	3.4
111.08096	1.5
116.98619	1.1
117.07003	1.7
119.08601	16.8
121.06540	1.7
121.10173	7.8
123.08113	2.3
123.11695	1.9
123.99704	1.0
125.09638	1.9
127.03921	3.4
127.60696	1.0
128.06216	1.4
131.08611	6.2
133.10158	7.2
135.08055	2.3
135.11742	2.9
137.05977	1.6
137.09612	1.7
141.07018	1.4
143.08598	4.6
145.05003	1.3
145.10141	8.8
147.08078	2.0
147.11716	5.0
149.09647	3.8
155.08694	1.5
157.10133	6.4
159.08080	2.4
159.11679	5.3
161.09669	3.3
161.13287	5.5
163.02707	1.1
163.11272	2.1
163.14848	2.5
169.10147	1.0
171.11703	3.1
173.09612	1.8
173.13234	6.2
175.11292	1.2
175.14874	5.9
177.16290	1.1
183.11763	2.5
185.13304	3.7
187.14796	5.0
189.12869	1.7
189.16388	11.8
191.14365	2.0
197.13362	1.3
199.14781	5.0
201.12782	1.3
201.16441	2.7
202.16751	1.8
203.14326	2.4
211.14859	1.9
213.12878	1.5
215.14392	1.9
217.15894	6.9
219.01808	1.3
227.18130	1.7
231.13699	1.1
235.17015	3.3
257.19092	1.4
267.16165	2.5
271.20538	1.7
295.38745	1.0
299.06219	1.6
391.30057	1.7
403.29831	1.3
417.17911	2.6
421.31039	2.8
439.32245	2.0
449.30496	2.4
457.33206	3.6
459.18893	1.3
467.31546	7.3
485.32828	2.4
503.18637	4.0
503.33728	100.0
504.33636	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95604	3.3
53.03940	9.7
55.01859	5.1
55.05517	24.3
57.03419	3.4
57.07064	9.3
61.02908	2.8
65.03938	6.7
67.05512	37.3
69.03432	38.5
69.07072	38.0
70.06598	16.9
70.12978	9.9
71.04991	8.3
72.08150	10.0
73.02925	2.9
79.05491	22.4
81.03413	18.2
81.07059	100.0
83.04988	9.2
83.08624	13.1
84.04504	5.8
84.08141	9.0
85.02910	22.0
85.06539	23.2
86.09711	23.2
87.00826	6.6
89.39841	3.0
91.05439	21.9
93.07045	57.4
93.07572	5.7
95.04963	9.3
95.08613	85.2
97.02904	36.5
97.06538	11.2
97.10167	12.1
98.21407	4.4
99.04459	8.5
99.08096	7.2
100.11240	5.7
100.19630	3.1
105.07031	29.5
107.04949	5.6
107.08600	50.0
109.02872	23.9
109.06505	12.4
109.10160	33.1
110.07166	3.7
111.04466	6.0
111.08067	21.3
111.11693	4.3
113.06029	3.6
113.09646	5.5
117.07028	4.1
119.08596	29.2
120.08105	13.2
121.06501	6.4
121.10160	41.6
122.03569	3.4
123.04453	3.5
123.08064	9.6
123.11704	58.7
125.09630	57.2
127.03915	21.3
127.07608	3.4
129.07037	4.7
131.08566	12.2
133.10127	16.5
135.08054	11.0
135.11696	23.0
136.07501	3.5
137.05942	10.1
137.09637	6.3
137.13251	17.3
139.11185	14.8
141.09106	7.5
141.12735	5.0
142.07750	3.2
143.08554	4.2
143.10672	3.2
145.04967	6.0
145.10144	13.0
146.06091	3.6
147.11708	17.7
149.09641	7.4
149.13271	40.3
151.11214	11.1
153.12762	8.7
157.10114	5.1
157.12250	11.3
158.99815	3.5
159.11717	10.2
161.05975	4.5
161.09676	4.1
161.13278	10.5
163.03894	3.6
163.07652	3.0
163.11238	3.8
163.14813	8.6
165.09149	5.5
166.08633	3.4
167.05592	3.8
167.07036	3.3
169.12190	6.2
171.11682	7.4
173.13257	7.3
175.07552	3.1
175.14920	4.6
177.16379	4.6
179.03334	5.4
181.08549	4.4
185.13107	4.7
187.03922	6.0
187.13332	9.6
187.14824	4.1
189.12769	5.4
195.13699	4.6
201.05421	3.7
201.16431	6.3
203.12718	4.9
203.17947	3.6
209.13268	3.7
219.17451	4.4
228.20222	3.0
237.18471	18.9
255.15819	4.5
255.19479	5.6
283.05933	3.5
287.23767	5.0
293.24716	6.2
299.06036	5.4
305.24774	34.8
323.25854	14.6
399.20636	3.8
449.29236	4.1
467.30182	7.6
503.17453	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	503.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.7
57.03434	0.6
61.05947	0.6
65.03952	0.6
66.89739	0.6
67.05497	2.4
69.07072	0.9
71.24481	1.2
73.04771	0.7
77.70033	0.7
79.05490	1.2
81.07040	2.7
91.05459	0.7
93.07051	1.5
95.08605	1.7
97.06510	0.9
99.83499	0.6
105.07016	1.6
107.08607	1.4
111.08036	0.6
117.07053	0.6
121.02895	0.9
133.10117	0.8
145.10126	1.1
146.07513	0.7
149.13354	1.0
167.05589	0.8
235.13052	5.1
241.84138	0.6
269.17529	1.3
291.15686	3.7
294.78854	0.6
299.06342	1.0
341.67749	0.7
387.57458	0.8
389.28177	0.6
498.93121	0.6
503.29803	100.0
504.30234	3.4
506.41211	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.6
54.68810	0.9
55.01870	2.0
55.05515	1.3
57.03431	2.1
61.02927	2.3
67.05491	1.2
69.03091	0.9
69.03436	10.2
69.07069	1.8
69.64404	2.7
69.64819	2.4
70.06604	2.7
71.04994	1.6
71.06934	1.0
79.05499	2.7
81.03437	4.2
81.07066	2.6
84.08115	0.8
85.02914	16.8
86.09718	2.3
91.05476	5.0
93.07036	1.5
93.22331	0.8
94.04213	4.8
95.04991	0.9
97.02896	6.6
97.06553	0.8
99.04472	1.0
103.05473	3.5
105.07021	4.3
107.04980	1.5
107.08591	2.0
109.02905	2.7
109.06524	3.3
109.10126	1.4
111.08087	1.0
115.05449	3.6
117.06963	1.6
119.08589	3.4
121.10148	1.6
122.03652	7.7
124.94717	0.7
125.09655	2.5
127.03957	4.7
128.06233	1.8
129.07019	2.2
131.04982	3.9
131.08577	1.2
132.05725	2.8
133.06490	1.8
133.10173	1.3
135.04433	1.0
137.05983	100.0
138.06300	1.1
141.06975	1.4
145.04955	0.9
145.06509	0.9
146.03615	1.0
147.04401	0.9
147.08078	3.1
147.11621	0.9
149.05925	1.5
151.07571	1.0
151.11208	1.2
153.86292	0.8
155.04922	1.0
156.05681	1.3
157.06549	1.3
159.08121	1.1
160.05295	1.4
161.05984	10.0
163.07536	6.6
167.13799	0.8
167.97292	0.8
171.08051	1.9
173.09604	1.1
175.06050	2.0
175.07565	36.0
177.09009	0.8
184.05168	2.4
187.07542	5.5
189.09048	1.0
191.08585	3.3
199.07541	16.9
201.09064	1.2
202.06133	1.3
202.07745	5.2
203.08580	9.3
205.06537	0.8
218.07260	1.3
219.08098	7.2
220.08791	2.5
230.07449	1.5
231.08072	10.7
232.08803	2.3
236.08382	1.7
237.18475	1.7
247.07455	3.9
248.08401	4.5
249.09120	1.2
251.10699	6.1
259.07587	6.3
260.08392	2.5
263.10678	5.5
264.07843	1.0
265.08719	1.2
275.07306	1.0
276.07877	2.7
277.08615	4.2
279.10141	7.5
280.10867	1.0
291.10138	12.4
292.10812	3.9
293.08139	2.1
295.13324	2.1
308.10382	1.9
311.12802	17.0
323.12805	21.1
325.14352	1.5
503.19830	0.9
503.32196	5.2
509.94110	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10521	1.0
51.92170	1.0
53.03929	1.1
69.03414	3.2
75.76939	0.8
76.50526	0.9
79.05481	1.9
79.83076	0.9
85.02908	5.8
86.09707	1.3
91.05476	3.4
94.04183	3.9
97.02909	2.3
98.21519	2.4
103.05474	2.4
105.07031	7.7
109.06508	2.2
115.05434	3.7
118.04192	1.0
119.08570	1.9
122.03652	7.7
125.09650	1.1
127.03928	1.1
128.06219	2.1
129.06970	2.8
132.05727	2.2
133.06493	4.5
137.05983	100.0
138.06393	1.2
143.04993	1.3
146.03598	1.8
147.04457	1.3
147.08020	2.5
149.05988	1.1
155.04980	1.2
159.08044	2.8
160.05219	2.0
161.05988	13.3
175.06049	2.0
175.07549	30.4
184.05115	1.9
187.07520	9.3
189.09050	1.6
190.07722	2.2
191.08572	5.6
199.07545	10.6
202.07739	3.2
203.08653	5.3
218.07321	2.4
219.08043	9.1
220.08841	2.6
231.08026	5.5
233.78848	0.9
235.07513	1.6
236.08325	1.9
247.07477	3.2
248.08395	3.6
251.10699	10.9
259.07611	4.3
263.10660	2.8
276.07870	1.3
277.08514	2.0
279.10138	11.1
291.10162	8.8
292.10788	2.6
311.12811	22.3
311.88379	1.0
323.12790	15.2
398.03641	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1401
Annotation	Daphneside
Peak:m/z	Relative Intensity
50.69054	1.0
53.03926	1.1
56.96562	2.3
57.03425	1.1
64.93328	0.9
66.84234	0.8
69.03429	1.8
69.76582	4.7
70.06576	3.6
72.08147	2.6
73.04724	1.1
74.27399	0.9
74.36956	1.1
76.75513	0.8
79.05485	1.0
84.04490	1.8
84.08128	4.2
85.02920	6.8
86.09692	1.4
89.03920	2.9
91.05846	1.2
96.75336	0.9
97.02882	1.5
98.97573	4.0
103.05476	0.9
107.04977	1.6
107.75654	0.9
109.02842	1.4
110.97544	2.5
117.03342	2.2
119.04927	1.7
120.08131	5.2
121.08449	1.3
123.04441	1.2
128.98607	1.6
129.10231	2.2
131.04877	1.3
133.06474	1.2
135.04437	5.8
137.02277	2.3
145.02864	2.0
145.04900	1.1
147.04422	5.8
149.05940	1.4
157.06480	1.3
158.99626	1.0
161.05945	1.7
163.03908	17.5
164.04253	1.0
166.08620	2.8
167.05586	2.1
173.05930	0.9
175.03946	7.7
175.07513	1.2
179.03401	18.5
185.05913	1.1
187.03862	1.2
189.05464	4.7
191.03409	51.9
192.04166	7.6
193.04893	1.3
194.11868	0.9
203.03395	14.3
203.06979	2.5
205.04910	5.8
213.05391	1.7
215.03412	3.0
215.07027	1.7
216.04164	1.4
217.04959	6.6
219.01523	1.4
219.03218	1.2
221.04466	57.5
229.04887	3.4
231.02937	1.9
231.06555	13.5
233.04370	3.0
237.02812	2.8
241.05083	2.1
245.04454	24.8
251.05522	1.3
257.04468	4.8
259.06073	6.1
269.04605	1.1
275.05502	11.4
287.05511	12.7
299.06113	2.6
305.06552	14.6
323.07632	17.7
341.08704	100.0
503.17172	3.9
503.28690	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1399
Annotation	Daphneside
Peak:m/z	Relative Intensity
55.01865	1.2
57.03442	1.7
58.55106	0.6
68.99792	1.0
69.03432	1.0
70.06598	1.2
70.87146	1.3
72.32353	0.6
77.67587	0.7
85.02467	0.9
85.02906	5.4
91.05470	1.8
97.02908	1.2
101.03954	0.7
103.03957	1.2
107.04949	1.3
109.02859	1.1
115.87852	0.7
119.04940	2.7
121.02869	1.1
123.04444	1.0
127.03876	1.0
131.04945	0.9
135.04420	2.9
137.02361	2.0
147.04425	4.6
161.06010	2.1
163.03908	2.1
175.03883	8.8
175.07530	0.8
179.03401	12.5
185.05994	2.2
187.03870	0.8
189.05478	4.2
191.03400	52.8
192.04182	7.5
193.04962	1.1
203.03392	13.9
203.07063	2.2
205.04953	4.9
213.05530	1.9
215.03432	2.5
215.06929	0.9
216.04195	2.2
217.04936	6.6
219.02921	3.0
221.04462	59.8
229.04984	2.8
231.02908	1.9
231.06516	16.8
231.08603	1.3
233.04424	3.5
241.04973	2.7
245.04454	25.8
251.05591	1.3
257.04398	5.7
259.06039	8.1
263.05554	1.6
269.04550	2.1
275.05511	13.3
287.05557	12.7
305.06528	16.0
323.07626	18.1
323.56760	0.7
341.08691	100.0
342.09018	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	21.2
54.47121	7.8
55.01864	12.8
55.05492	7.9
57.03439	15.7
67.05512	11.5
69.03420	36.9
69.07066	15.6
70.06573	20.8
71.47758	13.4
73.02924	9.5
79.05501	18.6
81.03426	43.9
81.07041	34.0
85.02906	100.0
87.00842	50.7
89.64191	8.4
91.05476	28.2
93.07066	42.9
95.08607	31.6
97.02886	47.7
97.60749	8.2
99.04465	15.1
105.01868	45.2
105.07024	36.2
107.08588	25.6
109.02886	49.2
109.10142	17.1
117.07009	11.5
119.08588	22.5
121.10135	32.9
127.03922	92.2
127.05257	8.6
129.01808	12.1
130.56487	7.7
131.08528	21.5
133.10139	21.2
135.08147	9.5
135.11726	9.3
143.63542	9.2
145.05011	20.2
145.10114	31.6
147.11719	13.6
149.09578	11.6
149.13280	8.8
159.02895	29.6
159.11691	13.0
173.13297	13.8
201.16414	59.3
219.17491	41.1
231.04950	18.7
237.18538	12.4
425.83002	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.4
54.52223	1.8
55.05513	9.2
60.95598	1.9
66.96750	1.7
67.05176	2.4
67.05509	26.3
69.03423	4.7
69.07069	12.5
70.06589	4.2
70.52892	6.5
79.05494	30.4
81.03423	3.0
81.07062	44.7
83.04985	9.7
83.08598	3.0
84.04500	2.8
84.08150	2.3
85.02904	9.7
85.06534	2.7
86.09706	2.1
87.00816	3.2
89.27905	1.6
91.05487	38.1
92.05779	2.0
93.07047	46.9
95.05004	3.6
95.08613	37.9
97.02872	4.2
97.06536	4.0
97.10213	2.3
99.04439	2.3
100.11230	3.1
102.14713	1.9
103.05476	1.8
105.01863	4.5
105.07037	89.1
107.08607	44.4
109.02839	2.3
109.06506	5.0
109.10145	20.1
111.08094	4.4
114.21347	1.9
115.05492	3.5
116.06245	2.3
117.07021	25.4
119.08585	48.1
121.06488	12.5
121.10157	23.8
123.08065	4.6
123.11707	4.8
125.09631	4.0
127.03897	5.9
129.06958	3.2
130.07817	8.0
131.08577	50.2
133.10132	27.7
135.08047	2.0
135.11693	9.8
143.08546	4.7
144.09354	4.3
145.04959	3.7
145.10130	100.0
146.10460	1.9
147.11661	15.0
149.09650	2.4
149.13284	5.9
157.10124	2.6
159.10457	3.5
159.11707	45.6
161.13280	22.4
163.11081	3.2
165.12721	1.9
171.11630	3.0
173.13280	14.0
175.14798	10.2
177.16405	4.7
189.16435	4.0
191.14252	3.7
191.18013	3.9
193.12193	2.6
201.16391	78.7
219.17410	11.2
231.05046	3.2
236.20161	5.9
362.02719	1.7
459.21371	2.0
467.37741	1.8
496.23495	2.0
502.34229	6.7
503.19727	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	502.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	13.1
55.01863	14.7
55.05510	26.3
57.03442	10.3
57.07082	11.1
61.02922	9.3
67.05515	27.0
69.03433	43.8
69.07070	47.1
70.06590	8.7
71.04986	16.4
73.02908	4.2
74.63284	3.8
79.05503	53.0
81.03428	53.1
81.07069	35.3
83.04985	20.1
83.08604	16.7
84.04509	8.2
84.08160	35.0
85.02912	99.1
85.03439	5.0
85.06545	31.7
86.09702	4.8
87.00838	49.5
91.05475	50.3
93.07053	86.0
95.04965	17.0
95.08604	32.8
97.02904	44.1
97.06531	16.8
97.10175	5.9
99.04468	15.5
100.11268	12.7
105.01868	72.2
105.04512	6.6
105.07037	77.9
107.04948	7.8
107.08605	100.0
109.02899	29.8
109.06525	9.7
109.10152	27.0
111.04434	6.7
111.08080	12.3
115.08669	3.9
117.07030	26.5
119.08588	69.8
120.08058	4.9
121.06513	12.6
121.10159	61.4
123.08092	7.7
123.11739	9.9
125.05926	4.3
127.03930	67.9
129.01778	5.6
129.07025	7.4
129.10225	4.7
130.07808	12.1
131.08577	24.0
133.10127	27.9
135.08119	11.6
135.11696	74.2
137.09616	7.8
141.11502	4.9
143.08577	9.7
144.09360	4.6
145.04964	44.7
145.10133	74.8
147.11674	20.9
149.09653	11.3
149.13266	7.1
150.10416	71.2
151.11162	12.3
157.10150	10.7
159.02876	17.6
159.11719	53.2
161.13254	38.4
163.11200	39.7
171.24509	4.4
172.22156	4.9
173.13235	12.7
175.14847	17.3
177.16426	5.1
182.15382	7.4
191.17934	24.3
201.16403	59.0
210.14864	9.7
214.18053	7.7
219.17474	60.8
231.05031	30.1
236.20126	11.0
237.18417	3.9
249.05978	25.9
254.12015	5.8
284.09756	13.6
459.21732	6.2
503.20981	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	13.7
55.05502	12.5
57.03424	12.4
67.05509	15.6
69.03419	44.8
69.07074	14.6
69.64459	60.6
70.06599	14.4
81.03432	49.0
81.07066	34.3
85.02911	100.0
87.00829	42.0
91.05460	24.1
93.07053	36.5
95.08595	23.7
97.02884	52.9
99.04435	23.0
101.04723	11.4
105.01882	39.8
105.07054	54.4
107.08578	39.8
109.02885	37.4
109.10175	22.9
117.07022	18.2
117.98811	10.8
119.08562	38.6
121.10134	28.5
127.03941	79.2
131.08565	24.4
133.10132	26.6
135.11699	16.2
145.04956	19.6
145.10147	46.2
159.02898	20.8
159.11710	34.6
161.13275	40.2
163.11156	12.9
173.13347	17.5
175.14760	19.4
177.16336	9.9
201.16394	88.6
219.17467	54.8
231.04906	17.9
235.64677	9.3
351.56787	12.6
458.36288	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	502.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	9.1
55.01862	14.0
55.05508	4.0
57.03421	8.6
61.02916	10.4
62.14180	2.7
62.29977	3.2
67.05499	6.5
68.99782	4.6
69.03431	41.3
69.07054	6.2
69.94398	11.4
71.04987	6.7
71.29872	2.9
72.74056	2.9
73.02905	10.9
75.85313	3.7
78.15858	3.0
79.05487	7.1
81.03422	45.1
81.07076	16.1
81.85213	3.4
85.02908	100.0
87.00838	42.0
88.93906	3.3
91.03949	4.7
91.05468	14.3
93.07027	13.8
95.08604	15.5
97.02890	34.0
99.04453	21.6
105.01875	36.3
105.07050	29.1
107.08599	25.3
109.02872	40.2
109.10137	11.7
112.33530	3.0
117.01853	6.6
117.07053	5.9
119.08582	17.5
121.06483	4.8
121.10149	9.9
123.11730	3.4
125.09662	6.0
127.03921	77.3
131.08574	10.7
133.10126	17.2
135.11691	11.1
145.04971	30.5
145.10141	19.8
147.02875	4.4
147.11731	6.8
159.02887	29.5
159.11754	14.7
161.13261	13.2
163.11198	3.8
173.13249	3.9
175.14816	9.7
201.16411	17.0
217.15698	3.8
219.17455	21.8
231.04997	14.6
246.77664	3.0
298.24161	3.8
438.73724	3.5
449.53204	3.5
524.60248	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	501.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75200	0.7
56.12356	0.7
61.57121	0.7
69.17472	8.4
70.06605	0.9
80.31797	0.7
95.08618	0.9
109.10123	1.0
119.08589	0.9
121.06525	0.8
501.28253	100.0
502.28394	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	5.6
57.07059	1.8
62.94398	1.6
67.05496	12.4
69.07066	12.6
69.90399	6.5
71.04982	2.5
74.06141	1.5
79.05510	8.4
81.07069	21.4
83.08622	5.8
91.05481	9.2
93.07042	20.1
95.08614	50.7
97.06515	2.0
97.10169	2.3
99.08093	3.1
105.07033	15.6
105.89791	1.5
107.08601	37.6
109.10162	32.7
119.08588	36.0
121.10149	45.5
123.08057	3.4
123.11713	12.3
131.08553	4.0
133.10139	26.8
135.11707	29.0
137.09650	3.3
137.13313	2.8
145.10097	8.8
147.11703	19.7
149.09625	1.5
149.13271	11.3
157.12860	1.5
159.11732	15.2
161.13246	13.5
163.11139	2.4
163.14835	10.6
171.11685	2.0
173.13277	7.0
175.14832	25.6
177.12767	4.6
177.16348	7.7
187.14810	4.3
189.16397	14.3
191.17961	100.0
192.18427	2.0
192.35855	1.6
193.15858	2.7
201.16418	10.7
203.17949	18.3
205.15834	2.2
205.19507	4.0
210.02396	1.5
215.18008	23.0
217.19493	14.8
219.17448	13.9
229.19556	1.8
231.17513	3.0
233.19048	19.6
243.21202	2.0
343.71338	1.6
405.35120	6.3
423.36267	30.9
501.38007	7.6
501.46442	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.4
55.05514	2.6
59.67240	0.9
61.02450	1.1
67.05499	2.9
69.03439	7.1
69.07057	3.8
70.06583	7.1
71.04980	1.2
71.47652	1.8
72.08147	4.3
79.05495	2.5
81.03410	3.7
81.07058	6.2
82.51778	1.0
83.05027	1.2
84.04494	1.4
84.08127	2.5
85.02923	6.3
85.06541	2.8
85.60123	1.0
86.09708	5.4
87.00849	1.8
89.99838	1.2
91.05479	4.5
93.07066	5.6
95.04969	3.2
95.08607	5.6
97.02905	3.2
97.06540	2.3
99.04517	1.9
105.07068	5.3
107.08571	5.0
108.12573	1.2
109.02892	3.2
109.06519	2.6
109.10168	3.1
111.08086	2.0
117.07020	2.4
119.08578	4.5
120.08099	2.3
121.06525	1.3
121.10146	4.7
123.08069	2.1
123.11726	2.2
124.03957	1.0
125.09605	5.1
127.03912	3.9
129.06967	1.6
129.10222	1.8
131.08560	2.2
133.06512	1.3
133.10164	4.2
133.52013	0.9
135.08063	2.7
135.11699	3.1
136.07567	1.5
137.05984	1.7
137.09631	3.0
137.13341	1.7
143.08511	1.1
145.04982	1.4
145.10132	2.5
147.08092	1.3
147.11713	2.4
149.09581	1.5
151.11163	1.3
157.10098	1.2
159.11700	2.7
161.09590	2.0
161.13292	1.4
163.11171	2.1
165.12640	1.7
167.07039	1.1
173.13165	1.2
175.11034	1.2
175.14812	1.3
177.12654	1.5
189.16367	1.5
191.14355	1.3
217.15881	2.5
233.15395	1.4
235.16942	7.5
245.06271	2.0
253.14209	1.4
253.17816	10.9
283.06064	3.9
285.49115	1.3
287.06808	1.2
334.62634	1.2
397.21671	1.3
402.80701	1.3
415.18665	1.1
415.23239	12.4
457.24084	28.5
465.28925	1.2
473.17349	1.1
483.22195	6.0
501.23074	100.0
502.23529	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	501.103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	0.6
55.05505	1.5
60.04512	1.0
63.02360	0.5
65.03911	0.5
68.99786	0.9
69.03434	1.1
70.06594	8.6
70.17107	0.6
70.17455	2.3
72.08163	16.3
78.89641	0.6
79.05489	2.4
83.04986	0.5
84.04501	1.4
84.08153	3.9
85.02895	1.3
86.09712	6.0
89.03921	5.8
91.05494	3.8
93.07081	0.5
95.04988	0.7
103.05500	0.9
105.07046	1.6
107.04967	10.4
110.07170	0.7
115.05463	16.9
117.03390	7.1
118.06540	3.3
119.04953	1.1
120.08096	1.4
123.04424	1.5
125.09686	0.5
125.64249	0.4
127.03995	0.5
129.06569	0.8
129.10240	2.2
130.05028	1.0
131.04942	18.9
133.06485	2.0
133.10139	0.5
135.04424	17.4
136.07585	8.3
143.04939	11.6
143.11801	0.7
144.08270	0.6
145.02869	8.5
145.03967	0.7
146.06017	6.0
147.04362	0.7
159.04428	2.8
160.05301	0.5
161.05998	4.3
163.03915	100.0
164.04247	1.3
165.05528	1.2
171.11374	0.7
173.05699	0.6
175.03879	0.6
182.08168	2.3
187.03922	69.2
188.08315	0.7
193.09756	2.6
205.05034	4.6
205.09912	0.6
216.12561	0.5
217.11754	0.6
219.08040	1.0
221.09256	4.2
223.07620	0.7
233.09233	1.6
247.07526	0.8
275.07086	0.7
275.13934	0.6
281.15005	1.2
317.11166	0.6
320.16098	1.2
321.04141	0.6
321.07590	1.4
321.16534	0.8
322.13849	1.8
331.05939	0.7
349.07095	1.7
367.08249	0.9
483.09302	9.0
484.19113	1.0
501.11188	0.7
501.19421	3.1
501.33493	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
59.28430	0.7
61.97361	0.6
63.02369	0.7
67.05504	0.7
69.03419	0.9
70.06592	7.6
71.04977	0.8
72.08147	2.4
79.05481	2.7
81.03400	1.0
84.04503	1.1
84.08128	1.6
85.02904	1.3
85.06544	0.8
86.09708	4.5
89.03927	6.8
91.05440	1.2
95.04971	1.2
103.05452	1.0
105.07030	2.7
107.04965	14.0
110.07134	1.1
115.05460	17.7
117.03387	8.5
123.04437	1.5
125.09601	1.2
131.04930	17.8
133.06531	3.7
135.04425	16.4
143.04927	11.9
145.02870	10.1
145.03929	1.0
159.04466	3.4
161.05997	5.2
163.03915	100.0
165.09213	0.8
187.03912	62.4
188.04248	0.7
205.04939	6.0
219.08090	0.8
231.94873	0.6
235.16954	1.3
247.07541	0.9
253.83092	0.7
275.06982	1.1
321.07544	1.6
349.06931	2.0
367.08194	0.7
457.20496	0.9
483.09155	7.6
484.40042	0.7
501.10043	1.9
501.19730	0.7
512.56256	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	14.4
56.39286	5.1
56.84577	5.3
57.07077	5.4
67.05508	43.4
69.07067	26.3
69.47303	42.6
78.83582	5.5
79.05494	27.4
79.37675	5.0
81.07056	72.3
83.08629	15.1
85.06547	7.2
91.05474	28.5
93.07043	69.9
93.65507	5.4
95.04997	5.3
95.08607	91.0
97.10161	8.9
101.59706	4.9
105.07043	57.0
107.08598	85.9
109.10162	80.9
111.08073	9.4
117.07063	7.8
118.28085	5.2
119.08582	83.3
121.10149	67.6
123.08071	6.7
123.11714	32.7
125.51805	5.4
129.07086	5.9
131.08563	18.0
133.10135	78.1
135.11690	57.5
137.13232	9.0
143.08568	8.2
145.10120	40.4
147.11684	58.5
149.09605	23.7
149.13280	27.5
157.10130	22.7
158.10983	6.1
159.11668	46.6
161.09659	6.2
161.13260	47.9
163.14842	26.4
171.11703	18.0
173.13252	32.6
175.14844	40.6
177.16379	10.7
183.11676	6.1
184.12534	11.2
185.13297	15.5
187.14864	27.2
189.16400	49.4
191.17976	55.4
199.14803	27.2
201.16357	16.2
203.14297	8.5
203.18005	31.3
205.15865	8.4
213.16388	17.6
215.14363	6.3
215.17989	17.9
217.15936	32.9
217.19507	18.4
227.17992	6.9
229.19664	7.3
231.17455	24.7
241.19597	6.7
243.21098	6.9
249.18553	7.1
257.22604	6.3
267.21124	9.1
283.24103	7.3
327.35229	5.5
355.73422	5.5
365.90741	5.5
393.35052	11.5
403.33752	13.4
421.34824	42.9
439.35590	23.2
481.36743	19.4
499.37561	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	499.3786
Annotation	Hypocrellol E
Peak:m/z	Relative Intensity
50.85899	2.7
51.38016	3.4
58.92214	2.8
61.60110	2.7
67.05509	5.1
68.20179	3.2
69.07072	5.9
71.49013	4.8
81.07079	13.5
93.07046	13.1
95.08599	18.6
105.07009	7.7
107.08581	10.8
109.10156	10.6
111.08048	2.9
116.57155	3.4
118.39516	2.9
119.08591	7.9
121.10131	12.4
121.97234	2.8
123.11686	4.7
131.08601	3.6
133.10133	23.3
135.11667	8.8
137.13242	4.9
145.10141	6.8
147.11676	8.0
149.13289	4.1
159.11711	6.2
161.13210	3.4
165.09090	6.3
173.13301	8.0
175.14816	8.6
187.14821	8.6
189.16428	6.3
191.17868	5.7
192.30249	2.9
199.14935	3.2
215.14401	5.8
215.18050	3.8
217.15845	5.4
265.19504	2.9
403.33743	5.8
421.34686	100.0
439.35703	28.1
487.04010	3.8
499.37357	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	499.3785
Annotation	Hypocrellol E
Peak:m/z	Relative Intensity
55.05498	1.8
57.07055	0.8
67.05511	3.3
69.03419	0.7
69.07071	6.8
71.39778	0.8
71.40125	0.7
79.05489	1.9
81.07053	6.8
83.08607	1.5
91.05502	2.8
93.07047	4.3
95.04951	1.8
95.08613	12.5
97.10190	0.6
105.07033	5.2
107.08592	6.8
109.06499	1.4
109.10179	5.9
111.08033	0.6
111.11714	1.3
114.17268	0.6
119.08587	22.3
121.06490	0.8
121.10149	7.1
123.08055	1.7
123.11707	2.7
131.08577	1.9
133.10135	23.6
135.08046	1.9
135.11705	5.8
137.09610	1.2
137.13235	2.4
143.08546	1.1
145.10156	4.2
147.11681	6.0
149.09601	1.3
149.13318	2.7
156.09334	0.7
157.10040	1.4
158.10979	0.5
159.11688	3.8
160.12479	0.9
161.09625	2.8
161.13260	4.6
163.11171	1.1
163.14804	1.1
171.11655	1.5
173.13260	5.6
175.14830	100.0
176.15071	1.0
177.12819	0.6
177.16335	0.7
183.11388	0.5
185.13217	1.0
187.11201	0.6
187.14789	5.2
189.12679	0.9
189.16388	4.2
191.17958	2.1
197.13168	0.7
199.14819	0.8
201.16490	1.0
203.14313	0.9
203.17839	0.8
205.19527	1.1
213.16307	0.6
215.14366	3.9
215.17940	2.3
217.15828	2.0
225.16479	1.1
227.17957	0.7
231.17413	1.3
233.19090	2.4
239.17941	0.8
247.20480	0.8
251.18022	0.7
257.22540	0.7
259.20728	1.1
261.22021	0.7
265.19601	1.6
283.20581	1.4
299.23688	4.7
327.26904	1.5
403.33762	3.6
421.34668	74.3
422.34982	2.1
439.35764	11.4
440.35651	0.6
481.36743	18.2
482.36905	0.8
499.37833	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	499.3788
Annotation	3beta-Acetoxy-1beta,11alpha-epidioxy-12-ursene
Peak:m/z	Relative Intensity
53.03949	1.7
55.05513	7.0
57.07080	2.8
67.05502	10.4
69.07082	11.9
70.79247	3.0
71.04978	1.8
79.05501	8.5
81.07060	31.1
83.08618	6.8
85.02905	4.7
85.03674	1.5
85.06558	2.3
88.30331	1.2
91.05488	12.0
93.07056	21.7
94.46978	1.4
95.05003	1.9
95.08617	46.1
97.06535	5.5
97.10164	4.4
99.08106	5.1
105.07045	23.4
107.08603	35.2
109.06513	5.5
109.10163	25.8
111.08098	1.4
111.11732	1.6
117.07016	3.5
119.08593	64.0
121.10152	31.8
123.08118	6.9
123.11699	9.5
125.09632	3.4
127.07549	1.7
131.08580	7.7
133.10141	39.1
133.11105	2.6
135.08080	6.9
135.11696	28.3
137.09642	3.1
137.13255	4.1
139.11253	1.7
141.07043	1.3
143.08569	4.6
145.10139	19.7
147.11703	23.1
149.09634	3.7
149.13264	12.7
151.11214	3.2
151.14801	2.0
155.08635	1.4
156.09392	1.9
157.10120	8.4
159.11700	17.3
161.13251	15.0
163.11229	2.8
163.14815	7.4
171.11687	7.7
173.13298	11.4
175.14880	7.0
177.16415	3.2
183.11725	2.1
185.13324	4.1
187.14841	9.5
189.12814	1.7
189.16394	52.0
191.17953	33.6
193.15804	2.1
197.13197	1.7
199.14786	7.3
201.16451	6.8
203.17986	13.8
207.17650	1.9
211.14839	2.1
213.16432	7.0
215.18008	6.5
217.15895	10.2
217.19615	4.9
219.17421	2.1
227.18004	4.2
229.19547	2.2
231.17525	3.8
235.16988	4.0
239.18059	2.6
241.19466	1.8
243.21265	1.8
249.18596	3.7
253.19678	1.9
264.83459	1.5
267.20987	2.6
277.18103	3.9
295.24335	1.6
323.27371	17.0
351.30469	1.7
383.29236	1.7
403.33655	2.0
421.34863	14.8
439.35760	9.5
457.36676	3.2
463.35922	4.2
481.36978	8.7
499.37863	100.0
499.49405	4.9
500.38550	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	11.3
55.32045	1.6
56.05823	1.6
56.89698	1.6
57.07077	4.3
59.04996	1.8
65.75022	1.8
67.05504	14.5
69.07079	12.7
71.49250	2.9
79.05500	12.3
81.07056	29.7
83.08627	7.6
85.06533	2.6
88.70437	1.5
91.05484	14.6
93.07047	27.0
95.08610	54.6
96.08900	1.6
97.06547	13.1
97.10146	3.8
99.08115	4.0
105.07034	26.7
107.08596	39.6
109.06542	3.9
109.10166	38.8
111.08074	7.8
117.07024	5.9
119.08589	45.7
121.10151	34.3
123.08077	8.3
123.11700	15.2
125.06013	2.2
125.09642	5.6
129.07005	2.6
131.08569	12.3
133.10144	42.3
135.11693	30.2
137.09653	2.1
137.13271	4.9
141.09099	6.0
142.07799	4.3
143.08582	7.3
145.10126	19.7
147.11696	34.2
149.13237	10.5
155.08566	3.1
156.09346	3.0
157.10155	12.6
159.11700	24.2
161.13271	20.2
163.14850	6.7
165.12839	1.9
167.10751	2.5
169.10133	5.0
171.11699	12.5
171.82675	2.0
173.13277	21.1
175.11252	1.9
175.14816	13.6
177.16415	5.0
181.30698	2.2
185.13289	6.3
187.14787	12.6
189.16415	37.9
191.14432	2.0
191.17952	31.9
193.15887	2.2
197.13206	3.1
199.14854	6.4
201.16382	11.0
203.14349	3.7
203.17975	30.1
211.14917	3.0
213.16408	10.6
215.14340	7.5
215.18015	14.7
217.15942	6.1
217.19566	6.6
219.17500	2.1
225.16437	1.8
227.17877	2.6
229.15854	2.9
229.19557	6.7
231.17436	11.7
235.16930	4.1
244.81732	1.7
247.17009	1.8
249.18471	7.4
263.20038	2.3
269.19073	2.0
269.22659	3.5
285.22083	2.2
311.27530	2.8
323.27380	2.4
403.33646	4.0
421.34662	45.6
428.20096	3.6
439.35754	22.3
484.19272	4.0
499.21448	36.2
499.37836	100.0
500.22095	3.8
500.38547	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	499.327
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38565	2.7
53.03949	6.0
55.01873	7.0
55.05511	28.5
57.03440	24.4
57.07069	8.7
61.02932	50.2
67.05510	90.2
67.92047	3.4
69.03433	30.1
69.06715	5.5
69.07066	38.3
70.47096	2.9
71.01341	5.5
71.04998	4.3
71.08634	5.2
71.48262	3.3
71.48631	3.0
73.02927	31.7
79.05499	37.8
81.03420	24.6
81.07059	100.0
83.05000	5.7
83.08620	23.8
85.02445	4.2
85.02910	59.9
85.06538	4.8
87.04491	3.9
89.61427	3.0
91.03961	39.1
91.05478	24.9
93.07047	36.5
95.04987	5.7
95.08604	72.7
97.02899	49.5
97.06496	6.0
97.10175	10.7
99.04445	7.9
101.02390	13.1
103.03942	10.3
105.07034	23.0
107.08594	22.4
109.02882	10.4
109.06529	4.3
109.10151	37.8
111.04424	4.1
111.08112	3.5
111.11726	4.3
113.09688	3.8
115.03916	7.3
117.05524	4.7
117.07021	7.4
119.08607	18.1
121.10149	23.7
123.11687	15.0
125.13261	2.8
127.03928	18.1
129.05487	7.7
129.07016	4.4
131.08539	5.9
133.10123	17.6
135.11719	13.4
137.13254	8.5
143.08583	4.8
145.04945	9.4
145.10130	6.7
147.08066	3.1
147.11687	10.3
149.13219	11.2
151.14813	5.8
155.08652	2.9
155.70343	2.7
156.37352	3.3
157.10092	4.4
159.11673	5.3
159.56773	3.0
161.13260	9.3
163.14883	6.0
165.12730	3.3
173.13193	3.7
175.14798	10.0
183.06540	6.1
185.13176	3.3
189.16406	5.9
195.13847	3.1
229.16307	3.6
235.93916	2.9
245.22652	12.3
261.22150	3.3
263.23715	24.6
275.23865	3.9
278.01428	3.6
305.24857	3.8
317.24554	3.4
319.26453	4.5
337.27396	86.2
365.26553	3.3
371.25729	3.6
435.55896	3.1
463.30508	5.2
464.30942	8.6
481.31805	6.1
499.32831	22.5
519.95648	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	499.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.0
55.01865	4.1
55.05518	27.4
57.03438	29.5
57.07067	10.5
60.08144	5.2
61.02932	69.8
67.05508	78.0
69.03435	37.4
69.07076	32.9
69.24220	23.7
71.01347	5.8
71.04984	6.9
71.08635	6.2
73.02917	29.9
79.05489	26.7
81.03429	22.4
81.07058	95.9
83.04977	5.4
83.08619	20.5
85.02911	66.9
85.06547	3.6
85.10177	3.5
86.09703	12.1
87.04478	5.7
87.10013	3.8
91.03426	4.0
91.03956	48.5
91.05494	22.6
93.07048	32.5
95.04926	3.0
95.08613	71.1
97.02898	58.6
97.06555	6.3
97.10182	13.6
99.04471	11.3
99.08068	5.3
101.02399	13.4
103.03950	8.6
104.10739	22.1
105.07026	19.7
105.11076	6.9
107.08592	25.1
109.02881	12.3
109.10168	29.6
111.04433	5.2
111.08102	3.2
111.11715	3.8
115.03926	7.0
117.05534	3.9
117.07020	3.6
119.08567	14.2
121.10160	19.3
123.08023	3.4
123.11697	16.2
125.00011	5.7
125.09581	2.9
127.00406	2.8
127.03935	22.9
129.05446	9.5
131.08566	7.3
133.10123	16.3
135.08031	2.9
135.11700	12.7
137.09560	2.9
137.13246	8.2
143.08505	4.2
145.04930	8.5
145.10196	4.8
147.11691	12.6
149.13243	8.9
151.14787	2.9
161.13202	8.4
163.14842	6.3
173.13281	3.8
175.14830	7.2
177.16359	3.3
183.06523	6.0
184.07361	16.0
185.07660	7.6
186.07770	9.0
189.16438	4.7
201.07573	4.0
217.15852	3.0
245.22667	11.9
255.57466	2.5
263.23749	21.7
337.27380	100.0
338.27557	4.2
365.26831	4.4
371.25742	3.5
389.26974	2.6
449.66763	2.5
463.31006	3.3
481.03625	2.6
499.33130	20.1
525.17236	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41300	5.0
59.89996	5.3
70.06590	19.9
71.47165	7.3
71.70036	6.6
72.08162	12.3
98.97586	5.2
110.07203	8.1
118.06554	31.3
130.06569	26.1
135.04419	9.3
144.08084	10.5
146.06026	67.4
157.07623	7.3
159.09196	9.4
163.03908	34.4
169.13335	6.0
170.06021	16.1
173.02989	7.9
188.05511	8.4
188.07092	100.0
203.08163	9.5
205.09787	37.0
221.03043	13.0
249.80249	7.0
279.57336	7.0
306.07559	6.4
365.05557	9.8
482.10452	7.4
499.19638	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	499.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26907	1.2
56.96570	1.6
56.97651	1.1
57.76418	1.0
65.53051	1.2
68.98274	1.6
69.73748	6.9
82.40504	1.2
82.99874	4.9
85.01392	2.0
86.99343	1.5
88.02466	1.1
94.99860	1.5
97.02861	1.8
98.97586	12.8
101.00880	26.6
103.02467	2.5
110.97559	5.7
113.00850	12.1
115.02460	1.6
116.98592	1.4
119.01917	17.2
122.01418	1.8
125.00807	1.1
127.02438	18.7
128.98619	4.2
129.00403	1.4
131.01024	1.9
131.01913	15.8
133.03447	3.3
135.04388	2.3
139.02411	4.3
140.98579	1.9
143.00171	3.3
143.01909	31.7
145.03506	37.7
147.01407	2.2
155.01903	41.3
156.98099	3.0
157.03488	14.4
158.99643	4.3
161.02980	13.6
163.03879	25.5
167.01910	19.9
169.03473	6.0
170.99706	3.8
171.01384	7.0
171.05061	2.8
173.02969	42.4
174.99101	4.7
175.04535	1.7
177.00778	1.9
179.01909	6.3
181.03477	2.1
182.99638	5.6
183.01265	1.3
183.05060	1.4
185.02977	43.6
187.04468	3.6
189.00798	2.7
189.02443	4.6
191.04047	3.1
193.00186	2.1
197.03000	14.3
199.00864	6.2
199.04550	3.2
201.00737	8.1
201.02483	2.5
203.02025	3.5
203.04019	14.7
209.03003	3.5
211.00742	1.5
215.04015	12.2
217.00220	2.5
217.01956	51.4
217.05392	2.8
218.77243	1.4
219.01755	5.5
221.02963	23.4
221.05086	5.4
227.04015	10.6
229.02055	7.1
229.05713	1.7
235.03088	7.4
237.02885	1.9
238.02425	1.3
239.04060	4.2
243.01736	4.4
245.02979	5.4
245.05080	100.0
246.05244	3.0
247.02968	12.5
247.06607	1.7
257.05106	13.0
261.02850	12.7
263.03586	6.2
263.06451	9.4
275.03937	2.1
275.06232	19.4
277.04086	14.7
277.06934	2.1
279.03958	3.7
281.05099	25.8
291.03708	1.9
293.07504	2.0
299.06122	3.0
301.04169	7.3
305.07318	7.9
311.06134	3.4
319.05414	19.4
321.04996	6.4
323.05954	6.8
335.08337	2.9
337.06268	23.4
337.09933	2.7
353.07254	1.5
365.09335	8.8
379.05130	6.2
383.08224	11.1
397.06332	2.2
422.99286	1.2
499.11203	18.8
519.04706	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43224	1.7
69.18008	1.8
69.57879	3.2
69.58282	11.2
82.99854	3.2
83.71493	1.8
89.03904	3.5
94.99829	3.2
97.02880	3.2
98.20835	2.8
98.97567	2.0
101.00892	24.6
103.02436	2.5
113.00855	11.9
115.02412	3.0
119.01917	18.0
127.02439	13.8
131.01909	18.8
133.03481	3.0
135.04372	9.7
139.02386	4.4
143.01903	29.6
145.03619	24.7
155.01897	54.0
157.03488	12.0
161.02985	16.6
163.03905	100.0
167.01917	14.5
169.03438	3.5
170.99982	2.0
171.01340	10.1
171.05008	2.2
173.02968	69.5
175.02568	2.4
179.01903	6.4
185.01239	1.8
185.02962	40.9
186.03131	2.3
187.04539	5.0
189.02393	5.1
191.04051	2.2
196.04518	2.1
197.02989	12.3
199.00885	7.4
201.02596	2.5
203.01927	10.4
203.04022	14.6
209.02896	3.8
215.04041	15.8
217.01941	45.0
221.02968	89.3
221.04942	4.7
222.03177	2.0
227.03947	6.2
229.01939	6.9
235.02995	5.9
239.03989	11.2
245.02892	13.7
245.05095	74.7
247.02937	6.8
247.04895	2.9
247.06754	2.6
257.05106	14.6
263.03891	31.6
263.05933	3.9
272.38861	1.8
275.03833	7.7
275.06381	20.7
277.04041	15.3
281.05087	91.4
282.05112	3.6
291.05600	2.2
293.04773	9.8
299.06168	12.7
301.04086	8.2
305.07166	6.6
311.06125	22.8
319.02310	4.6
319.05084	15.3
323.06125	22.7
325.08078	2.7
335.06036	8.0
337.06155	20.8
351.05402	1.9
353.07089	3.5
365.09247	6.3
379.05087	19.8
383.08240	35.1
397.06137	7.4
499.11688	20.4
499.17984	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	498.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30234	5.2
55.05510	11.8
57.03441	6.9
57.07085	12.6
59.04995	13.2
63.04963	4.2
63.69644	3.7
67.05495	23.7
69.03426	18.1
69.07067	31.6
70.06586	16.5
71.05000	11.2
72.08148	4.7
75.06062	4.7
75.12818	5.2
79.05512	6.8
81.03436	11.3
81.07059	17.0
83.04951	5.2
83.08629	4.9
84.08163	4.9
85.02911	29.3
86.09711	9.5
87.00832	8.3
91.05506	7.3
93.07014	6.6
95.08612	6.6
97.02899	17.5
97.10178	31.4
98.21557	8.2
99.04453	7.2
105.01880	15.4
105.05517	10.8
105.07049	8.5
109.02879	21.0
109.10163	48.1
111.11739	18.6
115.11206	20.6
120.08088	8.2
127.03931	26.8
127.11200	100.0
127.12621	5.2
129.12770	29.3
133.10196	6.4
139.56248	4.0
145.04926	9.4
145.12289	13.2
159.02850	6.0
161.09575	6.6
215.16455	5.6
223.24226	5.9
233.17508	29.0
249.05991	6.0
269.17538	15.2
373.13776	6.4
404.73303	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	498.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.9
55.05495	11.8
57.03428	11.2
61.44817	2.3
65.03912	2.9
67.05178	3.7
67.05509	51.0
69.07069	19.4
70.06596	3.2
71.04987	5.7
79.05145	2.8
79.05499	30.6
81.03410	7.1
81.06606	3.9
81.07063	64.6
81.85265	2.7
83.04984	6.5
83.08606	11.3
85.06532	5.5
91.05481	23.5
93.07051	45.2
95.04968	6.0
95.08614	22.5
96.08080	2.7
97.06512	11.2
102.76962	2.7
103.03952	2.9
105.07029	15.2
107.08586	22.4
109.10149	6.9
111.08072	6.2
115.65599	2.8
117.07000	11.0
119.08563	7.7
121.10157	14.5
121.89733	2.9
123.11697	5.6
129.07013	2.7
131.08557	11.4
133.10127	15.1
135.11708	6.2
149.13245	12.7
151.11275	3.0
159.11708	14.7
177.12807	3.0
195.13780	10.1
225.00610	2.4
243.06779	3.2
269.17474	59.3
270.17035	3.7
330.19424	3.0
353.24622	5.2
371.25552	4.2
382.71841	3.3
440.85526	2.6
445.29489	16.5
463.30582	100.0
464.30673	7.2
488.89783	2.7
498.30414	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	498.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.3
54.72374	1.3
55.01870	4.2
55.05506	3.0
57.28021	1.3
59.04976	2.6
65.03929	3.4
67.05505	10.1
69.03424	4.2
69.07069	5.3
70.06596	5.6
71.44807	1.6
71.48284	1.6
79.05474	2.0
81.03412	2.9
81.07049	4.3
84.08149	3.3
85.02909	8.6
86.09723	3.6
87.00824	4.1
87.04478	5.3
91.05488	2.6
93.07050	3.2
94.06569	2.1
95.04953	3.4
95.08609	2.8
97.02892	6.2
99.04450	3.0
102.83386	1.5
105.01855	4.5
105.05508	3.9
105.07017	4.0
107.08571	2.5
108.04469	2.2
109.02842	3.5
110.05988	1.8
111.11710	4.3
119.08571	2.7
120.08136	1.7
121.06480	1.9
121.10141	1.8
127.03933	8.8
127.04772	2.0
129.12770	6.5
133.26683	1.8
134.06007	2.8
135.08075	2.4
137.06021	1.7
138.05492	10.4
145.10037	1.6
146.05992	1.6
148.03963	2.3
152.07100	4.5
153.01782	3.7
164.06998	1.9
166.04982	3.2
168.08040	1.9
176.07069	5.9
183.09172	4.2
184.09927	2.4
185.10771	4.0
194.08243	1.7
197.10687	2.0
199.08644	7.1
199.12347	10.2
200.07100	3.7
200.09413	7.5
201.10237	1.8
207.10123	1.6
209.10321	1.6
211.08717	9.6
212.09494	4.7
213.10234	12.6
216.10112	1.8
224.09369	2.1
225.10240	7.8
226.08792	1.7
227.08104	2.0
227.11780	6.5
230.10452	1.8
231.05040	3.4
231.10010	1.5
239.08148	5.8
240.08826	1.8
241.09773	3.3
243.11247	5.2
244.09708	2.0
249.10146	2.2
252.08820	2.8
253.09712	17.2
255.11270	19.0
257.09161	3.3
262.10818	1.6
267.11285	3.0
269.09164	14.9
271.10779	15.2
273.12375	24.9
277.09738	3.4
279.11368	5.4
281.09195	67.4
287.10248	2.2
295.10782	6.1
299.10254	24.3
303.13599	2.2
304.11761	11.0
313.11737	6.8
315.13406	6.2
316.14725	1.7
323.10172	10.6
331.12900	4.4
332.13763	3.6
333.14438	21.3
337.10730	9.9
341.11478	10.2
343.42831	1.5
347.13367	1.8
359.12375	100.0
360.13037	3.9
365.15118	1.7
371.12265	1.9
373.14001	2.3
374.15152	3.3
375.13220	5.3
378.14227	2.8
389.13965	2.0
390.14462	1.6
393.14072	2.8
402.14371	6.5
403.12915	2.7
420.15402	6.5
434.17261	2.1
437.16885	2.0
438.16525	16.6
439.08011	1.6
444.15906	2.1
447.14117	4.4
452.17963	5.1
453.16895	3.8
462.16632	52.5
463.15063	13.6
480.17691	68.2
481.15955	14.5
498.18726	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	497.363
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.5
57.03423	0.3
67.05505	0.7
69.07075	1.8
79.05510	0.7
81.07057	2.4
83.08611	0.4
89.06030	0.7
89.74326	0.3
91.05489	0.6
91.72066	0.3
92.17573	0.3
93.07034	1.7
95.08616	4.1
97.06565	0.4
105.07018	1.8
107.08578	2.1
109.06512	0.4
109.10171	2.2
111.11769	0.5
112.86343	0.3
113.05958	0.5
114.72674	0.3
117.07013	0.5
119.08592	1.6
121.06572	0.4
121.10136	2.2
123.08042	0.6
123.11723	0.9
129.07007	0.5
131.08574	1.2
133.08586	0.4
133.10130	1.9
135.08054	0.7
135.11713	1.4
137.09753	0.4
137.13251	0.6
143.08548	0.5
145.10103	2.3
147.11720	0.8
149.09627	0.6
149.13225	0.5
157.10164	1.1
158.10950	0.6
159.11726	2.0
161.13284	1.1
169.10176	0.5
171.11711	0.8
173.13281	5.1
175.11148	0.4
185.09621	0.5
185.13228	1.0
187.14828	2.7
189.12758	0.4
189.16386	0.8
191.17984	0.9
197.13159	0.4
199.14850	1.0
205.15857	0.5
211.14877	0.7
213.12724	1.7
215.14345	1.6
215.17972	0.3
217.15971	0.4
225.16441	0.4
227.14360	0.7
231.13805	0.8
241.15770	0.3
254.19989	0.3
259.17233	0.3
297.25906	0.3
419.33173	1.8
437.34189	100.0
438.34546	3.7
497.36118	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01794	0.9
55.05508	2.5
57.07050	1.3
67.05502	4.5
69.07071	5.5
69.83273	5.6
79.05502	5.8
81.07060	10.9
83.08579	0.9
89.06034	3.4
91.05500	3.5
93.07050	10.0
94.77808	1.1
95.05056	1.1
95.08611	14.4
95.93901	0.9
96.90263	1.0
97.06536	1.7
99.08096	2.0
105.07030	12.6
107.04948	1.1
107.08596	11.5
109.10188	9.1
117.07030	1.9
119.08592	28.8
121.06506	2.3
121.10161	10.5
123.08046	1.7
123.11690	1.9
125.06017	9.0
131.08565	4.6
133.06602	1.2
133.10138	22.3
135.08066	3.5
135.11731	5.5
135.50554	1.2
139.07568	5.0
139.11230	1.3
143.08554	2.0
145.10121	12.1
147.11710	17.5
149.09677	1.8
149.13286	1.7
157.10143	3.1
159.08075	1.9
159.11725	5.0
160.12573	1.4
161.09665	3.0
161.13266	3.7
163.14868	1.6
169.10245	1.7
171.11662	2.9
173.09671	5.8
173.13248	2.6
175.11234	9.0
177.09123	3.6
182.10968	1.2
185.13246	2.5
187.11179	7.4
187.14839	11.2
189.16396	100.0
190.16670	1.8
191.10692	4.1
191.17986	1.1
197.13310	3.9
201.12703	1.3
203.17995	1.7
205.15903	4.3
205.19615	1.6
207.17487	3.1
211.14891	2.8
213.16449	1.7
215.14337	16.8
217.16089	1.1
229.15894	53.3
231.17462	8.4
233.15379	45.0
242.57050	1.0
243.17520	4.7
247.16951	15.8
249.18507	23.9
257.19177	1.4
283.20581	2.9
309.74631	1.0
350.68628	1.1
369.77719	1.0
419.33099	5.3
437.34198	13.0
479.35239	17.9
480.35690	1.9
497.36273	46.5
498.36694	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.2
55.05517	40.3
57.03427	7.6
57.07083	38.4
61.02937	10.2
63.23026	3.8
66.28547	4.2
67.05512	35.1
69.03437	9.8
69.07081	39.5
71.04983	7.0
71.08651	26.1
79.05486	22.5
80.41505	3.7
81.03436	6.4
81.07066	56.2
83.04974	4.0
83.08617	35.0
85.02901	12.4
85.10185	13.3
89.06022	10.9
91.03959	4.8
91.05494	20.1
93.07064	33.0
95.08611	64.2
97.02898	7.8
97.06557	5.1
97.10163	13.3
98.98966	4.6
105.07040	37.7
107.08591	44.4
109.10175	31.3
111.08087	5.0
117.07005	7.4
119.08602	63.7
121.06583	6.0
121.10143	37.5
123.08047	9.4
123.11729	10.6
131.08575	13.9
133.08658	4.3
133.10141	36.9
135.08061	12.8
135.11685	25.8
143.08594	6.4
145.10139	30.4
147.08037	8.3
147.11705	41.2
149.09544	4.2
149.13272	31.9
157.10161	5.7
159.11696	13.8
161.09657	5.0
161.13232	8.6
163.07591	5.9
163.11185	4.2
165.09233	6.2
167.14368	12.6
169.10098	7.4
171.11742	12.3
173.09663	11.0
173.13290	10.0
175.11209	23.6
175.14864	7.1
177.12782	4.8
187.14838	23.0
189.16380	91.7
197.13252	14.5
199.14799	7.1
201.16478	4.4
211.14850	8.1
215.14308	40.0
229.15933	9.7
231.17381	4.8
233.15465	20.0
239.23869	7.6
241.17995	18.5
249.18518	7.4
261.22165	5.9
283.57892	4.6
335.25833	10.5
419.33359	5.6
437.34570	4.9
439.32013	32.2
440.32007	3.9
479.35220	85.3
480.35608	5.0
497.36182	100.0
497.42203	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.4
55.05513	4.8
57.07074	3.4
67.05505	5.3
69.07069	7.3
70.93497	0.9
71.08627	1.6
72.04515	0.7
79.05502	2.7
81.07061	11.1
83.08614	3.5
83.63191	0.4
87.04466	0.4
89.06030	1.2
91.05488	2.9
93.07050	5.1
95.04976	0.9
95.08610	14.5
97.06524	0.8
97.10162	1.3
105.07030	5.6
107.08591	6.2
109.06509	0.5
109.10166	6.8
111.08054	0.8
111.11710	1.0
117.07031	1.6
119.08588	7.0
121.06490	1.1
121.10150	4.3
123.08066	0.9
123.11716	2.8
129.07019	0.9
131.08582	4.9
133.08606	0.8
133.10135	9.5
135.08073	2.6
135.11728	2.8
137.13269	3.8
141.06940	0.4
142.07870	0.5
143.08574	2.9
144.09370	0.5
145.10133	7.1
147.08096	1.0
147.11691	5.1
149.09642	0.8
149.13252	1.7
151.11218	0.5
155.08540	0.8
156.09328	0.7
157.10141	3.1
158.10928	2.3
159.08090	0.8
159.11690	5.7
161.09671	0.9
161.13268	3.4
162.91249	0.4
163.11185	0.7
163.14838	0.7
165.12874	0.5
167.14330	1.1
169.10146	1.4
170.10915	0.7
171.11632	3.2
172.12541	0.5
173.09624	1.3
173.11769	0.7
173.13261	13.8
175.11223	1.2
175.14850	1.5
181.10095	1.0
182.10942	0.7
183.11697	2.4
185.13298	2.5
187.11217	1.1
187.14822	4.1
189.12721	0.7
189.16428	1.5
191.17967	0.9
195.11710	1.3
196.12401	0.6
197.13310	2.1
199.11241	0.5
199.14813	1.5
201.12724	1.3
201.16470	0.8
203.14267	0.5
203.17923	0.9
207.11816	0.8
209.13255	0.7
211.14809	2.2
213.12856	1.2
213.16402	1.1
215.14342	2.8
215.17871	0.4
217.16063	0.5
221.13374	0.8
223.14862	1.2
225.12784	0.6
225.16399	1.2
227.14304	0.8
227.17918	0.8
229.15901	1.1
229.19583	0.4
231.17390	0.8
233.13091	0.7
233.15358	0.8
235.14841	1.1
237.16373	1.1
239.14224	0.6
239.17952	0.8
241.15732	0.5
241.17891	0.8
243.21060	0.5
248.15578	0.7
249.16318	0.8
251.14337	2.2
251.18079	0.9
253.19632	1.0
261.14740	3.4
263.17972	3.1
265.15854	1.5
265.19376	0.6
267.17511	0.9
267.21002	0.8
269.19144	0.5
269.22607	1.0
281.19064	3.4
281.22366	0.7
283.20633	0.7
291.21207	0.7
292.29065	0.4
295.20578	0.4
309.22110	0.6
311.16510	1.1
317.22867	0.5
325.18237	0.5
341.21143	1.2
386.29742	0.5
388.31482	0.6
389.32184	0.7
391.33551	0.6
401.32037	2.1
419.33112	5.0
437.34204	11.8
479.35220	100.0
480.35373	3.1
497.36118	11.1
497.42322	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.1
55.01882	1.8
55.05511	5.0
57.03424	1.5
67.05508	6.9
69.03427	19.1
69.07081	6.8
70.06581	1.8
70.83444	1.6
70.83774	1.9
71.04996	4.8
75.45514	1.3
77.03962	1.3
79.05503	10.5
81.03420	13.5
81.07066	13.2
83.04988	12.0
84.08134	1.4
85.02913	20.5
86.09695	2.8
91.05471	9.0
93.07050	9.6
95.04961	4.9
95.08616	8.1
97.02892	8.0
97.06554	2.7
99.04472	14.5
103.03949	16.6
105.07042	15.2
107.04976	10.7
107.08607	37.6
109.02888	18.0
109.06525	5.1
109.10178	10.1
111.04407	1.9
117.07005	2.2
119.08570	7.9
120.08086	1.7
121.06504	6.6
121.10160	17.8
122.07311	3.4
123.04385	1.5
123.08080	4.5
123.11732	2.1
125.06052	2.3
125.07076	1.5
127.03003	2.1
127.03938	39.5
131.08586	6.2
133.10144	75.4
135.08041	12.4
135.11717	3.8
137.02348	1.7
137.05991	3.8
137.09630	34.7
139.11182	2.1
143.08517	2.0
143.51456	1.6
145.04977	12.0
145.10136	3.4
147.08067	2.5
147.11649	5.1
149.09688	7.6
149.13248	11.4
151.11159	7.6
153.05478	1.8
159.08040	1.7
161.05954	1.5
163.06053	3.2
163.14764	3.8
173.13315	8.8
175.03865	1.5
187.06076	7.0
187.11316	1.7
189.09134	1.7
189.12805	1.6
191.14322	100.0
205.06984	2.3
209.15388	5.1
221.05962	1.7
249.11310	1.4
249.14880	1.6
253.07085	1.5
271.08203	3.1
289.05478	1.8
299.16449	2.0
303.05026	5.0
317.17432	3.1
335.18616	2.7
353.19781	7.7
372.68011	1.9
377.19528	3.3
395.20432	2.0
406.66837	1.4
411.20111	1.5
443.20346	1.9
453.20752	4.1
461.21872	3.2
479.22702	3.9
497.10245	1.8
497.19757	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	497.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	0.6
69.35606	1.8
69.36030	2.7
70.06592	0.8
72.08163	0.7
81.03443	0.6
81.07012	0.6
83.04958	0.5
84.04498	0.6
84.08201	0.6
85.02934	0.7
86.09666	0.9
93.07076	0.9
112.04894	0.5
119.03709	0.5
120.08141	0.9
127.67323	0.6
150.47429	0.5
203.38487	0.5
221.46658	0.6
249.11142	0.7
249.14825	2.5
252.13257	0.5
271.04364	1.2
291.14227	0.6
309.15536	0.9
393.18756	1.1
407.86230	0.5
411.19797	8.2
435.20004	1.8
453.14359	0.8
453.20969	23.2
497.19949	100.0
498.20230	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.6
55.01873	0.9
55.05507	0.9
67.05510	0.9
69.03441	0.9
69.07088	0.9
70.06590	4.6
71.04997	0.6
71.47942	0.7
72.08139	0.5
79.05513	1.4
81.03442	1.3
81.07069	1.7
83.04971	0.9
84.04505	1.5
84.08137	0.9
85.02908	1.7
85.06565	0.6
86.09711	2.7
88.40586	0.5
91.05486	1.4
93.07057	1.5
95.04951	0.7
95.08611	1.0
97.02896	1.2
99.04470	0.6
105.07068	1.3
107.08615	1.4
109.02892	1.2
109.06513	0.9
109.10177	0.8
110.07159	0.7
110.97595	0.4
111.08109	0.9
119.08643	0.5
120.08090	2.4
125.09668	0.6
127.03917	2.7
130.05025	0.8
130.06586	1.5
131.04959	0.6
131.08598	1.2
132.04488	0.5
133.10147	1.3
136.07588	1.0
137.06004	1.2
145.10139	0.7
149.06120	0.5
153.05484	0.8
157.07640	0.7
158.06079	1.4
159.11722	0.5
166.08665	1.1
167.07065	0.7
171.11682	0.5
173.09764	0.6
185.04248	0.7
188.64243	0.5
189.05522	0.6
191.14342	0.8
210.14818	0.5
233.11774	1.3
245.12892	0.6
249.11337	0.9
249.14755	3.4
277.14209	0.7
291.15555	0.5
303.05069	1.8
319.12955	0.6
321.13174	0.9
411.19922	12.6
435.19830	0.6
453.21021	32.1
454.21591	0.8
497.20065	100.0
498.20483	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	497.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.7
55.01868	1.3
55.05507	0.8
57.07071	1.2
63.82867	0.7
67.05489	1.5
68.99770	0.8
69.03418	3.0
69.07074	7.0
70.06592	1.7
79.05457	0.8
81.03409	3.0
81.07043	1.5
84.08125	1.2
85.02913	5.6
85.06515	2.0
86.09714	6.0
87.00817	1.6
87.08101	0.9
91.05476	5.9
93.07034	2.4
95.08617	1.7
97.02891	2.9
97.04273	0.7
99.04453	1.2
105.01868	1.0
105.07020	2.4
107.04970	6.4
107.08615	1.9
109.02873	2.5
109.06554	0.9
109.10184	1.3
117.07021	1.0
119.04948	7.1
119.08552	1.6
120.08128	7.9
121.10146	1.0
125.09573	0.7
127.03911	2.9
133.10144	0.9
135.04439	1.4
135.08002	0.8
135.11768	0.8
137.05965	3.2
145.10159	0.8
147.04387	0.7
151.03897	0.9
157.10098	1.1
159.02875	1.1
161.09663	0.9
163.03911	100.0
164.04240	1.3
175.03932	3.3
176.04256	1.2
177.05486	0.9
199.03917	1.1
203.10760	0.7
219.11269	1.7
231.10222	4.0
232.10564	2.5
249.11230	56.4
279.17068	0.8
313.15463	1.0
426.66360	0.8
453.20630	1.1
497.20300	4.7
497.30972	1.2
497.36945	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40444	0.1
53.89930	0.1
55.05513	0.2
56.05038	0.5
57.03439	0.3
57.07080	0.7
58.06645	0.5
59.07392	0.1
60.08167	6.7
63.74588	0.1
67.05502	0.3
68.91348	0.1
69.07037	0.2
70.06577	0.3
71.07378	3.3
71.08638	0.5
75.24809	0.1
79.85602	0.1
81.07072	0.2
83.08620	0.2
85.10188	0.2
86.09707	31.6
94.75059	0.1
95.08598	0.5
98.98467	3.2
104.10746	2.9
109.10122	0.2
109.97195	0.1
125.00008	21.2
126.00397	0.1
143.01118	0.2
147.32169	0.1
184.07344	100.0
185.07709	0.4
195.09001	0.1
258.11136	0.2
277.07889	0.1
313.27310	0.2
353.53964	0.2
400.37265	0.1
478.33011	1.2
496.33984	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3401
Annotation	2-Palmitoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
52.36520	0.4
56.05038	0.8
57.07072	3.6
58.06601	1.9
60.08166	18.5
67.05495	0.6
69.07073	0.7
70.09013	2.4
71.07372	8.3
71.08620	2.2
79.77835	0.5
81.07072	0.7
83.08630	0.7
85.10162	1.5
86.09708	49.9
90.11420	0.5
94.64861	0.6
95.08615	1.0
98.98453	3.4
104.10744	100.0
125.00005	27.6
157.21098	0.5
163.01515	0.7
184.07347	92.4
221.87695	0.5
258.11011	1.3
268.14975	0.6
288.85638	0.5
313.27441	1.6
337.81113	0.5
478.32861	7.9
490.77087	0.6
496.33990	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
55.01889	2.1
55.05516	1.2
67.05499	1.1
69.03430	6.2
69.07066	1.5
70.06590	3.1
71.47705	1.8
72.08172	1.1
75.37756	0.9
79.05479	1.2
81.03428	2.7
81.07071	2.7
84.08152	1.1
85.02910	8.9
86.09735	1.5
87.00846	3.7
91.05510	1.7
93.07030	3.4
95.08636	1.3
97.02930	2.5
98.97598	3.5
99.04455	3.0
100.11269	1.2
103.03970	1.4
103.05456	1.5
105.01870	1.3
105.07047	2.3
107.08613	2.0
109.02889	3.8
112.06364	1.0
115.49690	1.1
119.04992	2.0
119.08612	1.6
120.08150	1.5
121.06496	1.2
121.10159	1.7
125.09684	1.0
127.03891	5.7
131.04991	1.1
133.06500	1.7
133.10098	1.9
135.08076	1.5
137.09579	1.6
145.10172	1.3
147.04422	3.9
147.09163	1.7
148.05199	1.0
149.09602	1.2
158.99628	1.3
159.03017	1.0
161.09624	1.1
173.01225	1.8
175.03926	34.0
176.04709	5.0
189.03958	1.1
189.05524	1.8
189.09062	1.9
191.08189	3.7
191.14362	1.6
192.08543	3.5
193.08542	1.2
231.10182	17.6
244.09602	4.3
249.11244	100.0
250.11568	2.2
308.12930	1.7
310.13730	1.5
379.16440	1.4
411.16931	3.6
453.18286	2.2
454.17944	2.2
497.18570	12.0
502.40942	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.8
55.01855	2.5
55.05515	14.7
55.43826	0.8
57.03434	1.7
57.07062	1.2
59.05003	1.1
65.03923	1.2
67.05507	31.1
69.06733	1.2
69.07074	16.4
69.85001	0.8
71.05007	4.1
79.05498	22.9
81.03416	1.1
81.07059	100.0
83.04991	9.6
83.08620	7.5
85.02917	1.1
85.06538	6.5
90.19644	0.8
91.05486	29.0
92.64957	0.9
93.07046	16.1
95.04953	2.6
95.08613	21.8
97.06546	7.9
99.08095	4.2
101.06040	1.7
103.05474	0.8
105.04512	0.9
105.07035	44.0
107.08602	14.7
109.06534	5.1
109.10155	3.5
111.08089	1.7
113.06029	1.1
117.06996	1.1
119.08588	35.0
121.10146	24.2
123.08083	5.1
123.10838	1.7
123.11711	33.9
125.09684	1.6
127.01562	1.4
127.07549	3.5
131.08546	1.5
133.10112	2.1
137.09604	1.2
137.13254	2.2
141.09128	0.9
145.10118	1.9
147.11691	73.8
148.12071	1.1
149.13240	1.4
157.10083	1.1
159.11723	1.3
165.12755	38.3
165.14160	1.9
175.11221	1.7
181.02597	2.3
183.13843	5.1
193.12219	2.3
196.90494	0.8
223.14835	1.0
229.14343	7.0
267.15924	39.8
268.16071	1.4
275.83566	0.9
285.17035	4.3
313.11942	1.2
369.18292	1.7
414.86401	0.9
449.28851	2.0
477.28256	6.5
495.18411	1.9
495.29517	27.4
496.29745	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.1
55.01861	1.1
55.05514	14.8
55.65805	1.0
57.03429	2.1
57.07074	1.0
65.03939	1.9
66.64937	0.8
67.05510	33.3
69.07074	17.9
69.90858	1.6
69.91249	2.8
71.04997	5.8
72.08156	0.8
79.05498	24.1
81.03421	1.7
81.07062	100.0
83.04984	6.5
83.08630	8.3
84.74961	0.9
85.06538	6.3
86.68728	0.9
91.05487	28.4
93.07053	16.1
95.04973	2.3
95.08612	21.6
97.06522	5.7
97.10166	1.5
97.63560	0.8
98.21468	1.0
99.08107	3.0
101.06023	1.8
101.89796	0.8
105.07040	46.0
106.24805	0.9
107.07892	1.1
107.08606	14.9
109.06533	4.8
109.10174	2.7
113.06050	1.6
116.99819	0.9
117.06999	1.1
119.08592	33.0
121.10159	24.7
123.08072	5.6
123.11709	32.6
127.07560	3.3
133.10168	2.3
137.13281	2.4
141.09116	1.7
145.10193	1.5
147.11700	76.3
148.12036	1.7
157.10178	1.3
159.11726	0.9
165.12762	38.0
175.11247	1.1
183.13840	3.9
185.09628	0.9
193.12285	2.2
220.76955	0.9
229.14372	7.9
267.15921	44.0
285.17056	2.9
304.27423	0.9
449.29071	2.0
477.28506	6.2
495.29529	29.4
496.30109	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.3
55.01876	3.3
55.05511	14.7
57.03436	4.1
61.02920	1.6
65.03932	1.5
67.05508	31.8
69.03424	4.2
69.07076	17.3
70.06578	4.0
71.04989	3.8
78.01848	1.2
79.05496	26.5
80.44358	1.3
81.03420	2.9
81.07061	100.0
83.04975	6.8
83.08614	7.8
85.02901	3.3
85.06558	6.7
91.05487	30.2
93.07053	19.9
95.04964	3.4
95.08610	23.4
97.02901	2.2
97.06541	5.1
97.10197	1.4
99.08086	3.7
103.05448	1.7
105.07037	41.6
107.08595	16.7
109.06538	7.4
109.10152	3.4
110.07159	1.6
117.07011	3.8
119.08591	34.3
121.10150	25.0
123.08073	5.4
123.11720	31.6
125.09674	1.3
127.03932	1.4
127.07578	2.4
129.07002	3.2
131.08582	4.6
133.10123	4.0
135.08047	1.7
137.09595	1.6
137.13263	2.6
143.08578	1.9
145.10135	4.4
147.11693	71.9
148.12050	1.9
149.43990	1.2
155.08453	1.4
157.10156	2.6
159.11679	1.7
161.13219	2.2
163.11182	1.3
165.12762	37.0
169.10031	1.4
171.11789	1.2
173.13260	2.0
183.13835	3.9
187.34668	1.3
229.14288	8.1
267.15921	43.9
285.16962	3.7
315.37476	1.2
385.23761	2.3
449.28204	1.6
477.28656	8.5
495.29797	24.3
496.16895	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.8
53.31099	0.9
55.01864	2.2
55.05273	1.1
55.05513	13.7
57.07068	1.1
65.03924	1.5
67.05505	30.4
69.07071	16.3
70.67584	1.0
70.67949	3.3
71.04990	4.4
76.43211	0.9
79.05493	19.8
81.07059	100.0
82.07393	1.1
83.04976	7.5
83.08633	8.7
85.02864	1.1
85.06557	5.7
87.96823	1.0
91.05482	28.6
93.07050	12.7
95.04961	3.0
95.08611	18.2
97.06522	7.0
99.08092	3.8
101.06001	1.3
105.07034	37.9
107.08591	10.4
109.06519	5.1
109.10177	1.4
115.05475	1.1
115.07562	1.5
119.08584	34.3
121.10151	24.2
121.81004	1.0
123.08076	3.9
123.10825	2.3
123.11704	32.9
127.07551	3.3
131.08531	1.5
133.10168	1.3
137.13243	1.4
145.10132	3.0
147.11690	78.2
155.79019	1.0
160.15965	1.0
164.65585	1.1
165.12767	39.7
183.13840	4.1
193.12286	2.4
229.14310	6.7
248.05391	1.2
267.08224	1.3
267.15933	52.5
285.16913	3.5
330.89893	1.2
449.29080	3.8
459.27109	1.6
477.28448	6.8
495.29492	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	495.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	4.0
56.05040	5.7
67.05529	1.5
68.05028	0.8
69.03436	2.6
69.07063	1.7
70.06597	2.7
71.48914	0.8
72.08141	1.0
79.05499	1.5
80.05045	1.0
81.03428	1.7
81.07065	2.7
82.06586	21.1
83.04973	1.3
83.07368	15.9
83.08649	0.9
84.08149	100.0
85.02921	0.8
86.09724	0.8
91.05475	1.8
93.07059	2.6
94.06581	0.9
95.04990	1.3
95.07353	1.8
95.08624	3.1
95.77372	0.6
96.04479	1.0
96.08138	1.2
97.02882	0.9
98.06069	4.0
99.04497	0.9
100.07655	0.8
100.11253	1.8
105.07043	2.5
107.08611	2.6
108.08114	2.0
109.10149	1.6
110.06058	2.0
111.04437	0.9
112.07712	0.7
115.05465	0.6
119.08603	2.5
119.72610	0.6
120.08102	5.2
121.06516	1.2
121.08895	1.8
121.10171	1.7
125.09631	0.9
127.03949	1.4
128.06129	1.0
128.07082	17.6
128.07967	1.1
129.79184	0.6
130.08670	1.1
131.08582	1.0
132.08109	1.1
133.10155	1.3
134.09683	2.1
136.07582	0.8
136.11232	1.3
137.06061	0.7
145.10133	2.0
146.09616	3.7
147.04414	1.5
147.08104	0.7
149.09758	0.9
151.12286	1.5
152.09540	1.3
152.10767	1.9
157.10207	1.3
159.04430	0.8
159.11699	1.0
161.09636	0.9
162.09157	1.4
162.11537	3.7
163.09972	0.7
163.12360	1.5
164.10698	4.6
173.09677	0.7
179.11861	4.1
179.13275	0.8
180.12596	16.6
182.15414	1.3
187.03874	1.0
189.09079	1.0
190.08665	1.5
191.03395	7.6
200.10643	0.6
203.03423	1.6
207.11354	2.6
208.12305	0.6
210.14986	1.4
217.08601	0.9
225.12373	5.5
226.13141	30.4
245.12973	0.7
247.09651	3.7
247.18343	5.9
257.78714	0.7
281.18576	1.1
293.18597	24.7
294.19421	2.4
366.13361	1.3
449.20819	5.5
474.32620	0.7
495.21237	18.4
495.27975	1.3
496.21106	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.0
55.01879	1.3
55.05491	0.9
59.79951	0.7
62.20691	0.6
67.05489	2.5
68.99780	1.4
69.03440	3.7
69.07074	1.2
70.06593	2.4
71.04958	0.8
71.48322	0.9
73.02924	1.1
73.37369	0.7
74.86819	0.7
79.05493	2.5
81.03423	2.7
81.07044	3.0
83.08645	1.1
84.08135	3.0
84.91651	0.8
85.02914	4.0
85.06543	1.6
86.09695	1.9
87.00828	0.7
91.05474	2.6
93.07034	2.6
95.05009	1.5
95.08598	2.0
97.02872	1.1
97.06510	0.9
98.49032	0.8
99.04434	1.2
100.11265	1.5
104.95245	0.7
105.01871	0.8
105.07033	3.1
107.04963	1.5
107.08587	1.7
109.02873	1.9
109.06561	0.9
109.10142	1.9
110.07153	0.7
119.08610	1.7
120.08141	1.3
121.10127	1.4
125.09606	2.6
127.03909	3.3
131.08597	1.3
133.10138	1.4
135.04396	1.3
135.08049	1.2
143.08588	0.9
145.10117	1.2
147.11678	0.9
149.09648	1.1
156.13811	0.8
159.02919	0.8
161.09656	1.0
163.03920	26.4
163.11198	1.2
182.15280	0.9
187.14838	0.9
191.03409	93.5
192.03998	2.3
193.56924	0.8
197.13222	0.8
203.03598	1.1
215.01479	0.8
217.08612	1.7
229.09143	0.7
247.09685	100.0
248.09996	1.7
261.50516	0.7
462.97772	0.8
477.39169	0.9
495.29056	3.0
516.25604	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.6
55.01868	4.6
55.05507	2.9
56.05053	1.5
57.03424	3.2
57.12667	1.2
61.65417	1.1
67.05489	4.2
68.99789	2.0
69.03436	13.8
69.07066	3.6
69.95828	6.3
70.06590	3.9
71.04998	3.0
72.08145	1.8
73.02932	2.3
79.05495	6.6
81.03423	11.3
81.07066	8.7
83.04957	1.5
83.07344	2.1
84.08151	18.1
85.02913	24.5
85.06554	2.2
86.09731	3.5
87.00839	9.1
91.03941	1.7
91.05472	6.7
93.03439	1.8
93.07043	7.9
95.04956	2.5
95.08620	6.6
97.02902	11.1
98.21404	2.0
99.04459	4.6
105.01894	7.2
105.07037	8.8
107.04975	2.8
107.08604	4.6
109.02891	11.6
109.06534	3.6
109.10150	4.0
110.07120	1.3
117.01836	1.7
117.07038	2.1
119.04950	1.2
119.08580	5.2
120.08095	1.6
121.06511	1.4
121.10142	4.3
123.11714	1.5
125.06023	1.5
125.09622	2.7
125.36264	1.3
127.03925	17.6
128.06175	1.7
128.07072	1.4
129.07002	2.6
131.08499	2.6
133.10114	3.5
135.04434	6.7
135.11714	1.5
137.05934	1.4
139.61707	1.1
143.08591	1.4
145.04965	5.3
145.10120	12.8
147.11736	2.3
149.09659	3.7
159.02887	7.6
159.08046	1.7
159.11705	3.3
161.09695	1.5
163.03882	2.4
165.09076	1.8
171.11687	2.3
173.09656	7.2
187.14844	2.0
189.09081	1.3
191.03412	38.9
192.04137	4.1
217.08519	2.1
226.16684	2.4
229.15877	4.4
231.04948	2.0
244.33124	1.3
245.08011	2.2
246.08412	2.1
247.09688	100.0
293.18613	2.8
449.20642	3.0
459.30396	1.4
495.17145	1.7
495.29422	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.7
55.05492	0.7
67.05489	1.9
68.99770	0.7
69.03430	2.0
70.06578	1.9
70.30009	2.2
71.04979	1.0
72.08155	0.5
79.05481	1.2
81.03445	3.0
81.07040	1.5
83.04966	0.7
84.08151	1.4
85.02905	3.3
85.06531	2.4
86.09713	0.9
87.00816	1.6
89.56942	0.6
91.05478	4.0
93.07043	1.2
95.04954	0.8
95.08604	1.5
97.02887	1.8
97.06535	0.7
98.21362	0.8
99.04454	2.1
103.03962	0.8
105.01859	0.6
105.07034	2.0
107.04969	6.5
107.08591	1.7
109.02866	1.7
109.10146	0.9
111.08050	0.7
113.23936	0.6
119.04940	7.1
119.08583	1.3
120.08071	0.6
123.04370	0.7
125.09626	1.0
127.03909	2.8
128.34256	0.6
131.04918	0.7
133.10081	1.4
135.11667	1.6
137.02354	1.1
137.05965	1.0
145.05005	1.0
145.10190	1.3
147.04436	0.6
147.09142	0.8
148.09598	0.7
151.03929	0.6
159.04404	1.4
159.09071	0.7
163.03906	100.0
164.04240	1.8
173.13327	0.7
175.03917	1.2
175.14908	0.7
176.15189	1.6
187.03955	5.9
191.03334	1.0
191.08186	2.7
192.08525	1.4
194.16325	0.7
203.03459	0.7
204.29572	0.6
212.17255	0.6
226.10864	0.7
227.03397	0.6
229.08611	6.0
231.05138	0.8
244.03775	0.8
247.09668	22.0
259.10742	1.0
266.44412	0.6
271.02371	5.7
284.15826	0.9
290.12119	0.7
301.11722	0.8
303.06540	0.6
308.13162	1.2
314.12003	1.3
319.06128	1.3
319.12820	0.9
337.06821	0.7
347.05447	0.8
365.06567	0.9
421.05563	29.4
422.05783	1.9
435.07318	1.0
452.17459	1.1
495.09171	8.7
495.17719	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	495.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30014	0.3
53.03941	0.8
55.01867	0.8
55.45047	0.3
57.03425	0.4
60.04527	0.4
60.04953	0.3
67.05491	0.7
69.03439	2.3
69.78034	1.8
70.06591	0.7
71.04980	0.4
74.70888	0.3
77.07187	0.3
79.05481	0.6
81.03410	2.0
81.07045	0.6
85.02900	2.8
85.06489	0.4
86.09704	0.5
86.58647	0.3
87.00825	1.6
91.05485	3.6
93.07023	1.1
95.04971	0.5
95.08591	0.6
97.02890	2.2
99.04454	1.0
105.01869	0.8
105.07010	0.5
107.04953	5.8
107.08625	0.6
108.08831	0.4
109.02867	1.8
109.06500	0.4
109.10163	0.7
114.41862	0.3
119.04948	5.9
119.08593	0.5
121.10175	0.3
124.15083	0.4
127.03939	2.5
127.88207	0.4
131.04926	0.6
131.08626	0.6
133.10164	0.6
135.04445	0.5
135.11717	0.4
145.04938	1.0
159.02855	0.5
163.03908	100.0
164.04253	1.4
187.03923	0.8
194.16222	0.4
203.03459	0.4
211.16890	0.7
212.17326	0.8
212.47807	0.3
229.08539	1.7
231.04982	0.8
247.09671	17.7
248.10078	0.4
267.36462	0.4
271.02527	1.2
292.10110	0.4
348.09872	0.5
373.13705	0.4
386.66113	0.4
421.05597	6.1
421.14108	0.5
422.05701	0.4
495.09067	1.6
495.17770	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.15
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.3
55.01883	2.0
57.07069	4.1
65.12479	1.3
67.05505	10.9
69.03425	4.1
70.04584	4.4
77.25886	1.3
81.03439	6.5
85.02920	7.9
85.06552	38.0
87.00859	2.4
91.05482	5.9
97.02892	3.4
99.04423	1.4
107.04980	5.1
109.02892	3.6
119.04922	6.2
127.03925	4.4
131.04929	3.8
142.57079	1.4
145.05022	1.6
145.42403	1.3
155.08641	1.6
159.04414	11.6
161.09619	1.7
163.03918	59.1
173.02321	2.6
173.05962	1.8
175.03928	6.0
187.03929	4.6
187.07520	2.3
193.08609	2.1
201.05525	2.7
201.09140	1.3
229.08611	3.8
247.09682	100.0
248.10051	2.5
266.53027	1.2
272.61432	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
53.71562	0.6
55.01863	0.8
57.03434	0.6
68.99783	2.1
69.03419	2.2
69.16698	5.0
69.17107	1.6
70.06612	3.0
71.01340	1.0
72.08150	1.1
73.02905	0.6
81.03410	2.5
84.08142	1.1
85.02900	3.7
86.09715	1.3
87.00845	1.4
91.05449	1.0
95.08599	0.6
97.02898	1.9
98.21519	1.5
99.04453	1.6
105.01869	1.3
105.06400	0.6
105.07015	1.3
109.02847	1.6
115.05477	0.9
117.07021	0.8
119.04922	0.7
127.03938	3.2
128.06224	0.7
130.07811	1.0
131.04924	2.6
131.08571	0.9
133.60796	0.6
145.04898	0.9
145.06506	0.8
145.10118	2.2
147.04425	1.2
147.09164	0.9
152.07144	0.8
153.06978	0.8
155.08553	2.0
157.06306	0.8
158.07265	1.1
159.04384	3.8
159.06516	0.8
161.06012	0.6
161.09613	3.1
169.06549	0.9
172.05150	0.6
173.05957	2.9
173.09616	2.3
175.03920	4.0
176.04749	0.7
183.08058	2.5
185.05952	1.3
186.06813	2.0
187.03897	5.5
187.07532	0.9
191.08185	1.6
192.08543	1.3
197.06010	1.3
200.04710	1.2
201.05531	3.7
201.09085	2.7
211.07526	4.1
213.05518	7.1
214.06247	9.9
229.08612	100.0
230.08975	2.1
247.09680	43.7
248.09949	0.9
264.90219	0.7
267.03009	0.8
279.22433	0.6
295.02341	2.6
308.13336	1.0
308.89590	0.6
421.05661	5.2
438.27914	0.7
495.18417	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	495.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.0
55.05490	0.8
57.03411	0.7
61.02904	0.5
61.52542	0.4
66.46270	0.4
67.05494	1.0
68.99762	0.9
69.03432	4.9
69.07052	0.5
70.06595	2.5
71.01355	0.5
71.04964	1.2
71.28318	0.7
72.08138	0.9
73.02894	1.1
75.29942	0.4
79.05468	0.9
81.03429	3.9
81.07040	1.0
84.08104	1.2
85.02912	6.9
86.09673	1.0
87.00854	3.1
87.01331	0.7
91.05461	1.3
92.62621	0.5
93.07001	1.8
95.04952	0.9
95.08570	1.3
97.02911	2.6
99.04420	2.0
103.05451	0.7
105.01829	1.4
105.06996	1.8
107.08553	1.2
109.02882	3.9
109.10131	0.5
110.17891	0.5
115.05447	1.5
117.07034	0.6
119.04921	0.7
119.08569	0.6
120.08059	1.2
121.10094	0.6
123.11741	0.7
125.08337	0.4
125.09620	1.0
127.03925	6.3
129.06961	0.5
131.04970	2.8
131.08545	0.7
133.10086	1.0
135.08035	0.6
135.11655	0.8
137.05980	1.2
143.04912	1.4
145.04922	2.0
145.10101	1.3
147.02863	0.5
147.04416	1.3
149.09555	0.5
151.03877	0.8
151.07501	0.5
155.08537	1.4
159.02998	1.1
159.04402	4.9
159.08080	0.6
161.09584	1.0
163.03845	0.7
173.05893	0.8
173.09612	0.7
175.03926	8.5
176.04733	2.2
179.03429	0.5
183.08134	0.6
186.06796	1.1
187.03932	15.2
187.07515	1.7
191.07042	0.6
198.28366	0.5
201.05301	0.9
201.09100	1.9
211.07515	2.2
212.17363	0.6
213.05482	3.6
214.06261	2.9
229.08614	29.7
230.09001	0.6
231.05008	0.8
247.09680	100.0
248.09991	1.8
269.04514	0.7
275.12509	0.7
289.10553	0.8
295.02670	1.2
298.60629	0.5
409.18518	3.2
420.04803	0.8
421.05682	2.5
435.07291	1.3
451.19476	8.9
459.40778	0.5
495.10324	0.9
495.18390	19.3
495.29428	1.1
496.18851	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03417	2.8
70.51012	2.1
70.51370	1.9
71.04973	1.0
78.06670	0.9
85.02905	2.6
87.00806	1.5
88.66966	1.0
103.05448	1.0
105.01883	1.1
107.41976	0.9
109.02839	1.6
115.05433	1.5
115.61544	1.0
127.03857	2.1
131.04875	2.3
143.04944	1.1
147.04391	1.1
158.07219	1.0
159.04430	5.8
163.80989	0.9
175.03934	13.8
176.04649	2.9
187.03922	18.1
201.09161	1.6
213.05493	2.0
214.06198	2.1
229.06291	0.9
229.06912	0.6
229.08607	25.4
247.09683	100.0
248.10031	2.5
274.52841	0.9
274.97552	1.0
434.43787	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	6.7
55.05521	10.5
56.05017	6.9
63.94872	6.6
67.05502	21.2
69.03423	27.0
69.07078	10.8
70.06599	25.3
70.39715	19.4
71.04980	16.5
72.08165	13.6
79.05503	12.3
81.03427	15.3
81.07065	24.7
83.08618	10.0
84.04501	9.7
85.02921	30.2
86.09725	37.5
87.00845	18.9
91.05476	8.3
93.07052	30.0
95.04998	11.9
95.08602	42.1
97.02885	11.7
99.64899	7.7
105.01890	6.8
105.07082	14.6
107.08608	17.8
109.02872	17.4
109.06450	11.2
109.10165	29.2
111.08112	8.6
119.08570	39.6
120.08116	92.8
121.06552	11.1
121.10139	10.9
123.11729	26.9
125.09689	8.6
127.03930	38.4
129.10313	7.4
130.05019	21.4
133.10159	17.6
135.11713	25.9
137.09561	11.1
138.09172	7.1
140.07169	6.3
145.05049	10.0
147.07643	24.1
147.11681	7.5
149.13286	13.8
173.12947	21.9
175.14865	59.1
183.75490	6.3
193.15898	67.5
201.12387	6.3
211.16948	100.0
213.03958	7.8
229.18030	11.0
231.04962	9.9
249.12476	7.2
294.14410	35.1
324.14520	8.0
440.29947	25.7
458.31033	8.7
494.30469	94.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	7.4
57.07079	66.7
62.17419	6.6
67.05482	21.8
69.07059	13.0
70.08942	19.4
71.08633	45.0
71.33695	5.2
81.07079	27.1
81.32438	5.5
83.08620	18.1
85.10170	25.5
95.08612	50.0
97.10163	9.0
109.10162	19.9
123.11687	9.3
163.39352	5.6
170.11311	6.4
235.88855	6.5
239.23682	50.1
257.24728	8.5
258.95422	6.0
313.27335	100.0
328.98737	5.7
351.91516	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	494.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.6
55.01849	1.2
55.05513	2.4
57.03449	2.9
59.04990	1.0
61.02920	0.5
67.05489	0.4
69.03100	0.5
69.03435	7.9
71.01341	1.3
71.04997	4.6
71.72190	0.3
73.02908	0.9
77.03973	0.3
79.05461	1.1
81.03420	9.5
81.07043	0.6
83.05002	2.4
85.02912	4.2
86.99826	0.3
87.73029	0.4
91.05476	1.3
93.07053	3.9
95.04936	0.6
95.08601	0.5
97.02927	2.0
98.21516	0.8
99.04461	22.7
103.03938	5.9
105.07042	3.5
107.08579	4.0
109.02152	0.5
109.02883	7.4
117.05500	5.2
118.06546	3.5
119.08570	1.6
120.08109	0.8
121.06519	2.1
121.10138	2.8
127.03922	9.5
131.06030	0.7
132.06836	0.4
132.08075	1.2
135.06534	1.2
135.08043	1.3
135.11673	1.2
141.01781	0.5
145.07622	11.4
145.10132	3.1
146.08409	3.1
147.09178	27.0
148.09518	0.5
149.09619	1.0
151.99966	0.4
157.07603	1.6
159.06500	0.9
159.09189	18.6
160.09961	4.2
161.10767	2.1
163.11195	6.8
169.07684	0.4
170.08366	0.7
170.33635	0.4
171.09145	1.0
173.07144	3.5
173.10773	2.5
175.08694	4.4
181.12231	1.3
182.08414	0.8
183.09126	0.5
184.09988	2.0
185.10747	10.0
186.11473	0.9
187.08698	3.9
187.12303	1.6
189.10248	4.3
189.12747	0.4
190.09756	2.5
191.08165	100.0
191.10593	4.0
192.08533	1.5
193.15808	0.5
197.10768	4.5
198.11479	0.6
199.08641	1.8
199.12302	4.7
200.09511	1.3
201.10236	2.2
203.11816	1.6
205.50531	0.4
209.11797	1.2
213.10135	1.8
215.06288	0.4
215.08177	2.1
215.11763	3.6
216.07692	16.7
217.09784	0.5
225.10292	3.2
227.11592	2.4
229.13353	2.3
231.11259	0.7
233.09204	0.4
233.12878	0.9
243.08653	1.3
243.11330	2.4
245.09233	2.0
245.12860	8.8
247.09717	0.9
253.09779	0.9
263.13934	8.6
265.14392	0.9
270.12408	0.6
271.10742	5.5
283.15396	12.7
288.13492	0.4
289.11835	10.3
305.14996	6.8
306.14508	4.1
307.12891	40.2
308.13181	0.5
324.15564	2.0
325.45178	0.4
331.13046	0.5
332.12381	3.6
345.17975	3.6
347.16132	1.1
349.13678	0.6
350.13477	8.0
371.16119	1.4
388.18509	0.4
389.17081	14.4
391.14993	1.8
406.19742	3.8
407.18317	0.7
408.17633	0.5
414.16574	0.5
415.14975	4.7
424.31146	0.4
432.17697	7.7
433.16055	7.3
434.15677	0.7
450.18710	4.5
451.17157	24.9
476.16660	4.5
494.17725	68.2
495.18118	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	493.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05270	1.5
55.05514	18.7
57.03441	7.8
57.07072	7.4
67.05141	1.0
67.05507	20.0
69.07070	22.5
69.20106	6.1
69.20510	2.8
71.05019	1.4
71.08617	2.7
79.05493	9.0
81.07062	19.6
82.22756	0.9
83.08624	17.5
85.06533	0.9
85.10178	1.2
91.05471	1.7
93.07053	9.4
95.04987	1.2
95.08615	19.8
97.06533	3.0
97.10171	9.4
98.20795	1.8
98.98473	51.7
107.08616	6.2
109.10162	9.0
111.08080	1.8
111.11728	1.6
113.09586	0.9
113.32041	0.8
121.10165	10.8
123.11725	2.6
125.09657	1.5
135.11717	7.6
137.00000	4.5
137.13342	1.0
139.11134	1.9
149.13242	3.1
155.01050	47.8
163.14825	1.4
165.16429	1.1
193.02658	1.2
193.83052	0.9
211.03668	2.6
229.04715	1.7
247.24255	3.8
265.25278	6.7
284.21964	1.1
328.12262	1.0
339.28955	100.0
340.29636	1.6
373.39313	0.9
475.28174	15.2
475.34515	1.5
493.33508	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.3
55.05515	4.6
56.05028	1.1
57.05800	0.7
58.06595	1.3
59.07377	0.6
60.08167	12.2
64.07901	0.3
67.05506	1.5
69.07040	0.8
70.06609	1.7
70.73112	0.8
72.08158	29.5
84.04475	0.4
84.08147	28.8
85.02880	0.4
85.06556	1.8
86.09709	8.5
91.05487	0.4
93.07048	0.5
96.08138	0.4
102.09208	0.8
103.05460	1.9
109.11116	0.3
112.07629	0.5
114.12775	0.7
120.08110	63.3
121.08439	0.8
127.03864	0.3
128.07036	0.3
129.10251	1.6
130.08644	12.4
131.04982	0.4
132.08148	0.5
136.07588	0.4
143.11867	0.3
143.15488	0.3
144.13873	1.5
157.09694	2.2
165.10213	0.4
169.04996	0.3
171.11328	0.5
175.14461	1.2
175.87775	0.3
177.10243	9.1
189.15991	4.4
205.09698	1.7
242.11964	0.5
277.15463	1.6
283.64236	0.3
319.25607	0.3
320.30438	0.4
322.21042	0.4
336.22510	0.4
379.23325	0.5
393.24847	0.5
474.30923	0.4
492.31821	100.0
493.32123	3.4
519.76898	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03224	2.5
53.03953	3.8
55.01870	7.0
55.05506	10.5
57.03441	4.5
60.04515	2.3
61.15826	2.2
67.05509	5.6
68.99774	4.1
69.03433	19.4
69.07076	24.3
70.06574	2.6
71.04991	8.1
72.08132	3.0
79.05492	7.2
81.03428	6.2
81.07059	8.1
83.04970	10.6
83.08620	7.2
85.02915	18.7
85.06554	3.4
86.09704	5.7
87.00819	7.7
91.05482	13.8
93.07052	17.1
95.04979	48.1
95.08601	8.2
97.02884	11.1
97.06541	6.2
99.04453	22.1
105.01854	9.2
105.07034	33.2
107.08615	29.7
108.97359	2.3
109.02876	7.6
109.06508	5.1
109.10192	12.8
111.08071	3.7
115.05400	2.4
117.07015	3.1
119.04909	3.4
119.08568	12.6
120.08091	7.0
121.06513	7.9
121.10149	19.2
123.04421	6.4
123.08085	5.9
125.09689	4.6
127.03915	13.9
131.08563	8.4
133.06543	3.3
133.10129	46.0
135.08057	10.8
135.11659	5.1
137.06033	3.1
143.07019	2.8
143.08591	2.7
145.04971	6.3
145.10150	7.0
147.11711	31.3
149.09665	4.4
149.13292	14.2
151.03937	16.8
151.07547	4.0
151.11200	15.1
153.09129	18.0
159.02916	4.0
161.09634	27.4
161.13271	2.9
163.11208	6.2
163.14827	6.1
167.14352	17.0
173.08090	3.3
173.13239	9.8
179.14359	13.3
187.03914	8.7
189.09119	11.4
189.46857	2.4
191.12708	3.8
191.14340	49.8
207.10120	4.4
209.15382	100.0
219.10170	23.2
227.16368	6.8
231.05022	4.6
253.14330	5.6
263.12790	5.7
281.13879	19.2
365.12357	2.6
371.14996	6.0
440.68808	2.9
492.30878	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	492.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	9.4
55.05492	14.4
57.03426	9.8
61.02911	5.4
63.84465	4.7
69.03418	20.6
69.07048	9.9
69.41484	35.5
70.62605	5.5
71.05003	8.5
73.02922	6.3
77.78730	5.4
79.05499	28.8
81.03411	22.0
81.07066	52.7
83.04968	19.6
83.08597	8.2
85.02910	45.5
87.00819	18.7
91.05455	11.0
93.07032	23.1
95.04963	54.4
95.08599	18.2
97.02862	20.3
97.06487	9.5
99.04443	15.5
105.01855	19.9
105.07005	27.5
107.08596	33.2
109.02870	23.1
109.06526	83.5
109.10161	30.5
111.08106	6.5
119.08548	20.9
121.10153	32.1
121.10941	5.6
123.08040	10.5
123.11710	8.3
127.03928	43.2
131.08549	10.3
133.10139	91.0
134.42432	6.0
135.08015	9.8
135.11734	9.9
139.11145	12.7
145.04938	12.5
145.10112	12.9
147.11659	18.5
149.13277	20.8
150.35007	4.5
151.11163	8.1
153.09126	31.0
158.10948	6.2
159.02899	15.1
160.57254	5.2
163.11176	9.4
163.14778	5.1
173.13258	55.0
191.14308	100.0
209.15366	64.6
220.15160	5.1
227.16554	6.1
244.15549	6.2
393.21506	5.6
474.23605	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	492.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.1
55.01870	9.1
55.05508	7.0
57.03430	9.2
67.05507	10.9
69.03429	26.3
69.07069	7.7
69.73663	9.9
69.74068	4.0
69.92145	2.9
70.06603	14.9
71.04995	4.7
71.15617	2.5
72.08154	22.4
73.02933	4.7
78.93822	2.6
79.05486	10.5
79.34787	2.8
81.03432	13.5
81.07067	20.8
83.04997	6.8
84.08141	7.6
85.02904	46.4
85.06532	5.1
86.09707	33.7
87.00820	21.9
91.05481	13.5
93.07050	21.0
95.04968	13.3
95.08611	14.1
97.02893	15.9
97.06506	6.9
97.10181	5.3
99.04473	11.0
100.95977	2.7
102.05538	2.8
105.01879	19.3
105.07021	21.5
107.04957	2.9
107.08595	18.7
109.02860	14.6
109.06546	14.4
109.10169	10.5
111.08092	3.9
116.07003	2.9
119.08569	20.5
120.08109	35.0
121.06522	2.7
121.10147	25.5
123.08057	9.4
123.11697	4.0
125.09651	21.8
126.10004	3.1
127.03933	28.9
131.08588	9.8
133.10143	27.6
135.08069	4.7
135.11728	5.1
137.06001	5.1
137.09621	5.6
139.11176	5.8
145.04971	13.3
145.10127	8.0
147.11743	17.5
149.13257	10.7
151.03882	7.2
151.07483	3.1
151.11198	67.9
152.04102	3.0
152.05353	3.1
153.09111	6.2
159.02943	7.5
161.09610	4.4
161.13228	9.9
163.11197	3.6
163.14821	6.4
165.12766	10.4
173.13266	16.2
177.10262	9.2
179.14207	3.6
191.14325	44.4
200.13980	3.3
205.09695	4.3
209.15392	53.8
213.04062	2.8
225.14940	3.4
227.16422	100.0
228.16664	3.0
231.05067	6.0
244.09711	5.6
281.13809	15.4
285.17230	2.6
305.21182	5.7
316.65799	3.0
318.18158	5.7
341.48117	2.6
475.21741	10.2
492.16968	4.9
492.31537	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21241	7.4
54.60458	7.9
54.75994	8.4
55.01865	10.4
55.05521	20.4
57.39208	7.4
58.19910	9.1
63.89000	8.5
67.05510	12.7
69.03434	42.4
69.07095	19.2
70.06593	40.6
70.94038	20.7
71.04985	12.4
72.08157	16.0
77.27634	7.5
79.05486	14.0
81.03428	17.4
81.07050	29.8
83.04971	15.7
84.08148	30.9
85.02905	41.3
86.09705	18.1
91.05487	21.3
91.70718	7.8
93.07042	26.5
95.04977	33.2
95.08607	22.8
97.02869	11.2
99.04475	37.5
103.05441	11.3
105.01891	11.3
105.07043	68.5
107.08581	49.7
109.06557	11.1
109.10148	19.6
119.08569	20.2
120.08128	37.1
120.36199	9.7
121.06480	15.1
121.10148	35.7
123.04458	11.6
123.08093	10.5
125.09644	15.8
127.03902	23.6
131.08546	18.4
133.06477	9.7
133.10141	65.6
135.08034	17.7
135.11673	11.0
137.06012	13.9
137.09602	9.5
145.10106	12.3
147.04399	12.8
147.11710	29.3
149.13348	17.5
151.03928	29.5
151.11211	13.0
151.36188	7.7
153.09143	12.3
161.09650	37.1
161.13309	10.6
163.11256	12.0
163.14803	17.8
167.07010	13.9
173.13327	10.1
179.14407	15.5
189.09119	20.8
191.14336	74.3
207.10242	16.1
209.15384	100.0
219.10190	36.3
227.16286	12.1
263.12628	9.1
281.13834	65.9
300.78448	9.5
371.14795	14.5
456.64484	9.0
492.19528	11.7
492.31277	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25098	1.9
53.03934	2.2
55.05517	15.8
57.03444	12.8
57.07063	5.1
60.86622	1.8
65.03941	1.7
66.35427	1.7
67.05508	53.7
69.07069	14.9
71.04977	2.0
71.08617	3.3
79.05492	19.0
81.07062	53.8
83.08610	9.0
88.05273	1.6
91.05502	10.2
93.07050	14.9
94.43413	1.6
95.04959	2.2
95.08617	50.9
95.09186	1.8
95.36092	1.6
97.06506	3.8
97.10190	8.8
98.20735	4.0
98.98473	76.5
99.08105	2.2
105.07045	10.9
107.08598	10.7
109.10157	20.0
111.08143	1.9
119.08599	8.2
121.10141	7.2
123.11709	7.1
133.10143	8.3
135.11707	6.2
136.99995	5.3
137.13240	3.0
145.10175	2.0
147.11703	6.5
149.13266	2.6
151.14807	2.6
155.01056	69.5
161.13220	3.1
171.11592	2.0
174.93869	1.8
175.14941	3.1
211.03754	4.3
229.04726	6.8
231.74538	1.9
245.22784	9.9
263.23679	15.8
337.27386	100.0
473.26645	16.7
491.30029	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	491.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	3.3
55.01870	4.0
55.05524	5.6
57.03446	5.0
61.02958	3.3
67.05508	7.4
69.03435	14.6
69.07072	6.9
70.06601	43.0
70.65444	6.3
70.65777	3.1
71.04995	9.4
72.08164	20.9
79.05495	5.1
81.03422	10.6
81.07052	9.4
83.04983	8.8
84.04501	8.4
84.08131	8.5
85.02920	17.8
86.09708	13.0
87.00832	8.6
91.05488	7.5
93.07069	21.0
95.04972	10.7
95.08604	12.2
97.02894	6.3
97.06521	5.1
99.04465	11.0
105.07033	19.8
107.04989	3.2
107.08580	22.0
109.02896	5.5
109.06524	7.6
109.10197	4.3
111.08054	3.3
116.07096	7.9
117.07049	3.8
119.08589	24.9
120.08132	19.9
121.10166	11.6
123.08083	11.5
123.11691	3.4
125.09595	4.0
127.03902	6.9
129.10284	7.8
131.08606	12.6
133.10147	11.5
134.03648	2.9
135.04448	2.7
135.08000	4.2
135.11705	6.3
137.02356	7.9
137.09630	9.4
143.08536	3.2
145.05072	2.9
145.10138	17.6
147.11650	6.7
149.07448	4.5
149.09627	27.6
151.11224	6.4
153.09126	4.2
159.02853	4.0
159.11745	28.7
161.13258	8.0
163.03951	7.9
163.11215	11.1
165.12822	3.3
167.10710	37.0
169.12259	5.4
171.11696	7.3
173.13222	3.6
177.12752	21.0
181.12241	5.5
189.12819	10.1
191.14308	4.9
195.13869	5.8
207.13828	64.3
213.14742	6.4
219.14977	6.7
225.14873	45.4
227.10318	4.9
243.15956	100.0
245.11526	4.4
247.14436	5.7
273.47974	3.0
279.48251	3.0
297.07410	3.9
299.05734	2.6
310.04807	8.7
315.05020	69.4
323.05557	11.9
324.06296	3.6
325.07446	3.0
329.06534	6.7
329.11615	2.7
341.06604	7.6
345.16071	2.7
353.06503	18.8
371.07947	12.2
379.08084	3.2
395.07605	5.4
437.08704	4.6
455.09799	4.1
473.10492	8.5
491.08527	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	491.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	6.9
55.05513	16.2
57.03426	7.5
57.07026	5.9
58.25314	6.4
65.03928	7.7
67.05485	10.3
69.03423	20.5
69.07073	7.0
69.21705	56.6
70.06599	49.0
71.05000	7.5
72.07820	5.8
72.08158	42.0
75.96617	6.3
79.05495	9.6
81.03406	18.9
81.07055	10.9
83.04984	6.5
84.04499	10.2
84.08144	22.9
85.02919	44.5
85.41976	5.6
86.06046	5.9
86.09714	33.4
87.00825	15.1
91.05483	19.7
93.07045	21.7
95.04926	7.9
95.08601	21.1
97.02897	38.0
99.04462	12.2
104.57652	5.4
105.01862	15.9
105.07013	31.1
107.04947	9.7
107.08579	28.4
109.02882	25.6
119.08581	41.9
120.08095	11.5
121.06548	10.8
121.10155	24.7
123.04414	6.7
123.08067	26.4
127.03905	28.0
129.01758	6.9
129.10263	13.0
131.08594	9.0
133.10094	11.5
135.08046	100.0
135.11595	7.7
136.07567	8.5
137.05899	8.0
137.09595	19.7
145.04922	13.1
147.03015	5.5
147.04318	7.5
147.07983	8.0
147.11693	15.6
149.09619	88.0
151.07553	15.8
159.11684	7.9
161.13266	16.1
163.11278	7.8
165.09134	20.3
165.12720	7.2
167.10657	17.7
177.12744	68.8
187.03954	6.4
189.12790	39.0
195.13846	18.4
207.13823	74.3
225.14824	43.3
243.15947	30.4
310.04709	6.7
315.05020	20.3
322.71185	6.5
329.06534	15.5
330.62109	7.0
353.06516	11.3
359.99261	6.3
371.07471	10.3
473.08475	6.4
490.85086	5.7
491.15210	20.5
491.22678	15.7
499.45703	6.2
500.79968	7.0
501.33698	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	490.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.3
55.01868	2.4
57.03425	1.9
57.22295	1.0
61.02921	2.0
67.05506	1.8
69.03129	1.1
69.03436	10.3
69.37916	8.4
70.06581	3.7
71.04978	1.1
73.02904	2.5
79.05499	1.2
81.03416	10.2
81.07050	1.9
83.04970	2.3
85.02911	23.3
86.09695	2.8
87.00843	10.2
93.07028	2.7
95.04948	2.1
95.08594	3.8
97.02901	9.2
98.20798	2.0
99.04440	4.5
99.08109	1.7
105.01871	10.7
105.07023	2.6
107.08566	1.6
109.02887	7.8
109.06506	4.4
109.10159	1.8
111.04456	1.4
119.08565	4.0
121.06529	2.0
121.10130	4.8
123.08073	100.0
124.89882	1.0
125.09605	1.6
126.23743	0.9
127.03927	16.4
132.46194	1.1
132.61299	1.0
133.10136	1.6
135.11702	1.9
145.04953	7.4
147.11642	1.5
149.09607	5.5
151.07545	1.1
151.11142	2.3
159.02866	3.8
163.11150	1.2
165.09114	1.1
167.10661	2.7
171.11691	1.0
175.14810	1.1
181.12251	7.0
189.12711	3.2
207.13788	16.1
213.04015	1.0
225.12595	1.8
225.14856	33.2
231.04916	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	489.3581
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
53.22250	20.8
54.66966	20.4
67.05511	44.1
69.07059	32.3
70.05023	21.4
71.23771	40.4
72.08158	37.7
79.05500	45.0
81.07047	48.3
89.01131	26.5
91.05497	53.6
93.07056	67.7
95.08601	71.9
97.20892	22.2
105.07042	68.6
107.08642	45.3
109.06480	25.2
109.10134	25.1
119.08579	100.0
123.08073	27.0
131.08546	62.9
133.10176	58.0
147.11708	46.3
157.10066	25.8
159.11668	32.1
189.16360	48.0
193.05026	27.4
201.16411	91.5
205.15829	43.2
261.11319	53.8
376.12701	29.2
473.14270	44.2
489.18839	97.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3579
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
50.11316	1.0
53.03950	3.7
53.22435	1.1
55.01881	1.5
55.05265	1.8
55.05513	16.8
57.03435	4.1
57.07086	1.8
57.28466	1.1
59.04990	1.5
65.03956	2.8
67.05507	62.0
69.07075	12.0
69.26119	8.0
69.26521	2.6
71.04996	2.9
72.68838	1.1
79.05497	30.4
79.05970	1.5
81.07057	33.5
83.04972	1.4
83.08620	6.9
85.06540	2.5
91.05484	22.8
93.07047	28.8
95.04971	2.4
95.08615	27.5
97.06533	3.4
97.10168	3.9
104.09102	1.1
105.06335	1.3
105.07040	23.9
107.08591	18.7
109.06557	1.1
109.10159	32.5
111.08106	1.7
117.07041	8.7
119.08587	24.3
121.10147	14.1
123.08105	1.9
123.11727	3.0
125.09632	2.3
128.06209	1.5
129.07024	5.8
131.08577	20.4
133.10159	16.3
135.11696	11.4
137.09656	2.4
139.11224	2.5
141.07005	2.2
143.08545	6.5
145.10124	15.2
147.11713	11.5
149.09709	1.5
149.13280	4.8
155.08615	1.6
155.10652	2.1
157.10139	6.7
159.11696	12.9
161.13297	5.9
163.11217	1.2
163.14877	3.0
169.10176	3.4
169.13734	1.2
171.10426	1.1
171.11678	6.2
173.11766	8.2
173.13298	8.3
175.14877	2.3
183.11774	2.9
185.13316	4.6
187.14853	3.8
189.16370	1.5
197.13327	2.9
199.14909	2.8
201.16447	1.8
211.14951	1.4
213.14873	3.0
223.14969	1.3
225.16486	2.3
225.62962	1.2
241.19678	1.3
243.20926	1.6
259.20572	2.2
261.22183	3.7
273.22217	1.3
285.22284	4.2
317.25027	1.6
377.26932	3.3
379.30017	10.8
391.28564	2.9
397.31100	15.6
415.32120	4.9
433.33234	1.9
435.32785	1.3
471.34689	12.0
489.35849	100.0
490.35989	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	489.3578
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
53.03946	5.3
54.02729	1.8
55.01866	1.7
55.05513	16.4
56.08248	1.5
57.03439	4.6
57.07089	2.4
59.04988	2.3
65.03945	3.5
67.05507	88.1
68.97205	1.5
69.07071	14.1
71.05001	4.3
71.48472	2.2
77.53793	1.6
79.05495	32.8
81.07055	42.6
83.08623	9.6
85.06538	4.5
91.05482	26.4
92.17188	1.8
93.07042	38.8
95.04950	3.2
95.08608	25.6
97.06522	2.6
97.10176	4.3
103.05468	1.7
104.45588	1.6
105.07037	25.1
107.08599	18.5
109.06504	2.8
109.10162	60.2
111.08105	2.8
117.07021	8.1
119.08586	29.1
121.10136	18.6
123.11662	2.5
125.09692	2.7
129.06941	2.3
131.08549	15.2
133.10132	17.6
135.11717	11.8
137.09618	3.2
139.11194	1.8
141.07091	1.6
143.08582	5.1
145.10132	15.0
145.26086	1.6
147.11719	12.1
149.13309	4.9
155.08594	2.9
155.10681	5.5
157.10159	4.1
159.11723	8.0
161.13248	4.4
169.10144	2.9
171.11682	5.0
173.11778	18.4
173.13318	8.6
175.14847	2.7
183.11871	1.9
185.13336	4.5
187.14870	3.3
189.16402	2.5
197.13254	2.1
199.14835	3.8
211.14780	2.6
213.14838	1.9
227.18083	2.2
228.18887	1.7
241.15445	1.5
261.22144	6.2
379.30191	8.7
397.31015	12.3
415.31833	3.3
471.34604	11.7
489.35782	100.0
490.36249	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	489.306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.2
55.05519	18.4
57.03441	30.5
57.06795	4.3
57.07077	88.9
60.92947	2.1
61.28228	2.0
61.38801	2.1
67.05507	39.2
69.03430	12.3
69.07073	21.3
69.79472	5.6
69.79884	7.0
71.01357	45.8
71.04975	2.5
71.08633	63.6
73.02916	50.0
75.04489	5.5
79.05490	4.3
81.07063	54.4
83.01347	5.1
83.04987	2.2
83.08617	33.6
85.02905	100.0
85.10178	38.9
93.07027	8.1
95.01316	11.5
95.04963	4.6
95.08608	74.3
97.02891	34.5
97.10165	15.8
99.00825	11.6
99.04440	3.6
99.11731	3.3
101.02386	13.6
103.03943	9.8
105.07030	5.7
107.08572	3.8
109.10165	36.0
111.11700	4.6
113.02371	43.6
117.05444	3.5
119.08595	3.9
123.00858	3.7
123.11716	18.5
125.13284	3.4
131.03392	19.0
135.11671	3.0
137.13274	8.6
141.01840	33.7
145.04984	6.6
151.14856	2.6
159.02908	12.8
159.06561	6.8
169.04982	8.4
173.13251	2.2
187.05991	4.7
197.04468	6.8
215.05557	15.2
221.07205	2.5
221.22733	3.9
233.06485	3.0
239.23714	59.1
239.26108	3.3
257.24777	6.8
313.27368	92.3
355.28412	13.4
382.38693	2.4
453.28278	6.5
489.29672	15.9
489.35733	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	489.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.9
55.01859	1.4
55.05515	13.3
57.03195	1.6
57.03441	17.3
57.07074	3.5
59.76157	1.3
65.03934	3.1
67.05508	59.0
69.07073	12.2
70.93916	2.8
71.04994	1.7
77.03926	1.9
79.05499	42.2
81.07063	66.8
83.08617	7.2
85.06549	2.7
91.05487	27.7
91.17372	1.3
93.07050	50.4
95.04955	2.3
95.08617	49.2
97.06541	3.3
97.10185	2.9
98.98474	89.3
99.08072	2.1
105.04523	1.6
105.07040	20.1
107.08600	34.1
107.54751	1.4
109.09465	2.3
109.10160	24.3
111.08106	1.7
111.25420	1.6
117.07022	10.7
119.08598	20.0
121.10152	28.4
123.08075	1.7
123.11732	8.4
129.05469	1.4
129.07036	1.7
131.08586	17.1
133.10150	14.8
133.43968	1.3
135.11710	21.7
136.99989	7.3
137.13252	4.6
145.10129	14.8
147.11710	11.2
149.09605	2.5
149.13269	13.1
153.12706	1.4
155.01053	80.8
159.11705	11.6
161.13269	9.4
163.14828	8.1
173.02237	1.5
173.13261	10.9
175.14842	4.6
177.16367	3.1
187.14854	4.3
199.14964	1.8
201.16393	2.9
211.03714	3.2
229.04784	8.1
233.22603	2.0
243.21103	24.0
259.20578	1.5
261.22137	42.1
279.23138	1.8
291.23477	1.6
299.23602	1.6
317.24820	16.8
318.03424	1.6
335.25815	100.0
336.26215	4.0
371.84305	1.4
415.22589	4.0
471.25009	17.6
489.35684	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	488.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	10.8
53.67120	1.5
55.01880	12.8
55.05515	4.0
57.03438	5.7
61.02925	7.5
67.05479	2.5
68.99801	3.5
69.03435	39.7
69.07082	1.9
70.06593	5.8
70.67998	3.0
70.68320	2.3
71.05002	4.9
73.02912	11.1
81.03424	28.6
81.07085	4.6
83.04967	2.1
85.02910	97.1
85.06562	3.8
87.00837	47.8
87.04479	2.9
91.03979	2.5
91.05492	4.5
93.07026	2.2
95.04986	2.9
95.08608	3.0
96.15404	1.8
97.02901	74.3
97.06561	3.2
99.04456	18.4
105.01878	64.1
105.07021	2.5
107.08597	2.9
109.02885	39.1
109.06524	2.2
109.10212	1.6
111.04461	2.1
115.03956	2.6
117.01878	4.0
117.07069	2.2
119.08572	4.4
121.02869	16.3
121.10172	2.0
123.08079	1.8
125.09592	1.9
127.03927	100.0
129.01865	3.8
136.13857	1.6
137.05959	2.3
139.03914	7.8
145.04967	60.0
147.02882	3.0
147.08044	2.9
149.02347	37.6
159.02898	23.8
165.09001	1.9
167.03468	2.6
178.38335	2.1
189.03973	3.5
191.79697	2.0
193.08604	2.9
205.08621	3.1
211.09622	4.0
213.03964	3.5
215.82172	1.9
223.09740	6.0
231.04997	19.9
232.09723	3.2
249.06166	4.2
262.58023	1.7
315.10678	4.3
380.12335	2.4
434.13089	5.9
452.14288	4.9
470.15332	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	487.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.0
55.05495	0.8
56.05036	1.1
56.49954	0.6
63.70884	0.6
67.05499	1.1
68.99763	0.7
69.03423	2.2
69.07069	8.2
70.02938	1.2
70.06588	10.2
71.06929	0.7
72.08148	4.5
81.03415	2.2
81.07034	0.8
84.04512	2.7
84.08143	4.9
85.02926	2.2
85.04045	2.2
86.09708	100.0
87.00834	1.0
87.05591	7.6
87.10075	1.0
88.04013	2.3
91.05492	1.0
95.04985	1.1
96.08135	4.2
97.02901	0.8
97.06575	1.1
98.02416	4.5
98.09713	0.8
98.97578	1.7
100.42493	0.7
105.07013	0.8
105.85657	0.6
107.08630	1.2
109.02898	1.1
109.06510	0.7
110.07153	1.7
110.09682	2.6
111.04406	0.8
113.10777	2.4
120.08093	2.9
121.06523	0.7
121.10101	0.7
123.04448	1.3
124.07536	1.0
125.09641	1.3
127.03932	1.5
129.10257	2.3
130.04985	1.9
131.04933	1.2
133.10155	1.0
135.05655	0.7
137.06027	2.3
137.09442	0.7
138.09164	4.6
141.10239	20.8
147.04443	1.3
147.07666	1.9
151.03943	1.0
155.10547	1.1
155.11797	21.4
157.13370	13.7
166.08633	2.3
167.11832	1.4
175.07558	0.7
183.11311	13.3
185.12863	12.0
187.04047	0.9
188.31702	0.7
189.12405	2.6
190.08571	0.7
194.12964	3.1
195.11353	1.0
200.13948	64.0
201.12480	1.2
201.14348	0.8
211.10696	4.9
217.08188	0.8
219.40041	0.6
221.15419	1.4
228.13445	51.9
237.12286	0.9
239.09026	1.0
240.13455	7.0
260.16113	6.2
261.14395	1.3
265.11795	1.1
271.17670	3.0
281.16132	2.0
282.14474	3.4
283.05862	1.3
299.17154	47.8
341.21768	1.7
383.22858	1.3
384.26382	1.0
412.25458	3.8
487.16794	3.2
487.22046	1.7
488.20572	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37996	12.0
53.27958	11.1
55.05507	50.5
57.07074	12.9
67.05509	62.0
69.03423	47.9
69.07069	30.1
70.06592	28.7
70.45953	46.8
72.08151	12.1
72.69490	12.1
76.02230	18.0
79.05477	41.1
81.03417	35.3
81.07068	90.9
83.04988	16.9
83.08577	15.6
84.08119	24.6
85.02895	43.0
85.06535	24.4
86.09699	21.1
87.00822	17.0
91.04967	13.8
91.05491	52.8
93.07059	73.1
95.04968	13.3
95.08620	84.3
97.02888	25.4
97.06528	25.6
99.04446	25.7
105.07040	74.5
107.08594	82.5
109.02888	24.4
109.06487	16.2
109.10170	49.9
111.08104	19.7
119.08598	54.7
120.08134	16.8
121.10142	43.8
123.08077	29.3
123.11684	20.2
125.09628	36.8
127.03918	37.1
131.08601	25.6
133.10141	68.1
135.11705	25.2
137.06015	15.3
137.09558	18.4
145.06062	37.0
145.10114	33.1
147.11719	69.9
149.13313	16.5
159.02950	16.1
161.13260	22.3
162.02206	24.1
163.09436	12.3
163.14746	19.5
165.09062	17.8
171.11769	16.8
173.13329	17.6
175.14838	13.5
179.04788	18.0
203.17979	39.5
221.18976	37.8
239.20067	100.0
246.09358	14.7
300.47495	14.7
371.16321	16.2
374.22885	13.7
451.22351	15.5
469.23358	16.0
469.33124	21.1
487.17682	26.9
487.34439	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	14.1
55.01850	9.8
55.05491	9.6
57.03443	6.2
58.73063	3.3
61.02915	6.6
65.03929	3.7
67.05506	39.0
68.99794	3.8
69.03430	30.1
69.07053	10.6
69.61624	3.0
70.06583	7.4
70.20562	13.3
71.04982	11.4
73.02902	9.7
74.41157	3.6
74.87681	3.2
76.05427	2.8
79.05499	16.0
81.03418	40.1
81.07059	32.2
83.04981	9.4
83.08604	4.2
84.08118	6.2
85.02442	5.2
85.02905	70.0
85.06535	6.1
86.09693	10.6
87.00827	32.9
91.05476	13.1
93.07043	37.2
93.28120	2.9
95.04969	55.7
95.08610	39.7
97.02893	34.2
97.06518	5.8
99.04460	17.9
105.01877	15.3
105.07030	28.8
107.08594	28.9
109.02869	29.2
109.06516	12.0
109.10159	97.5
111.04475	3.3
111.08068	21.8
113.09667	7.8
117.01823	3.6
117.07033	3.6
119.08578	38.6
121.06490	8.0
121.10151	44.2
123.08111	5.9
123.11690	9.5
125.09608	10.9
127.03914	51.1
129.01805	5.3
131.08531	6.0
133.10126	19.8
135.08049	6.5
135.11688	20.0
137.05919	7.9
139.07535	6.2
143.08632	6.4
145.04955	19.7
145.10121	22.8
147.08032	5.2
147.11659	8.8
149.06020	3.6
149.13226	4.9
157.10110	9.9
159.02896	20.6
159.11671	11.7
161.09660	6.9
161.13245	41.8
163.11163	9.4
173.13211	4.3
175.14844	35.9
179.14360	17.2
185.13235	12.6
187.14781	3.4
193.15837	6.4
201.12605	3.9
203.14334	33.1
207.13716	4.6
209.42511	3.3
219.08017	3.6
221.15382	94.4
226.85526	3.1
231.05016	5.1
239.16429	21.9
487.21582	100.0
487.32669	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	487.2154
Annotation	DHP-mOx-NS-DHB
Peak:m/z	Relative Intensity
52.77059	0.4
55.05506	0.9
67.05518	1.0
69.03429	1.4
69.07058	0.7
70.06593	0.9
71.04974	0.6
71.49052	0.5
79.05502	1.0
79.60757	0.4
81.03401	1.0
81.07068	2.2
82.81130	0.4
84.08185	0.6
85.02918	2.0
85.06553	0.5
86.09715	0.9
87.00825	0.7
91.05496	0.9
93.07047	1.5
95.04990	0.5
95.08611	1.9
97.02930	0.5
97.06572	0.6
97.10163	0.5
98.83871	0.4
99.08081	0.7
105.07024	1.4
107.08601	1.9
109.02889	0.7
109.06560	0.7
109.10175	1.3
119.08603	1.9
121.10136	1.2
123.11694	0.8
125.01198	0.4
125.09636	0.7
127.03926	1.2
127.11222	0.5
131.08618	0.8
133.10146	1.3
133.17274	0.4
135.08118	0.5
135.11728	1.2
137.09663	0.5
143.08626	0.6
145.10165	1.1
147.08060	0.5
147.11697	0.6
153.12732	0.7
155.08563	0.6
169.10103	0.5
175.14844	0.4
201.13013	0.4
203.17981	0.7
221.15479	0.5
221.19008	0.5
239.16444	0.6
251.11296	1.5
266.09363	0.4
269.12396	1.6
281.76355	0.5
287.13269	1.0
325.16254	2.1
358.65192	0.4
372.00415	0.6
432.95853	0.4
443.22525	4.6
445.18872	0.4
487.21518	100.0
488.21851	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.215
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63599	0.4
51.04814	0.4
53.42413	0.4
61.45268	0.4
67.05502	1.0
69.03426	0.7
69.07072	0.8
69.35308	3.6
70.06599	0.5
79.05499	0.6
81.07047	0.7
85.02901	1.7
86.09681	0.5
91.05502	0.5
95.08620	1.0
97.06545	0.5
105.07020	0.7
107.08576	0.8
109.10173	0.7
119.08616	0.6
121.10150	0.7
133.10107	0.4
135.11731	0.5
147.11699	0.5
161.13210	0.5
173.13498	0.4
203.17952	0.5
217.04976	0.7
221.19078	1.3
227.05197	0.7
231.07039	0.4
239.16130	1.6
242.18427	0.4
245.06306	0.7
267.15561	0.5
271.04105	0.9
289.05347	0.6
313.16153	2.7
337.16373	0.5
355.17297	4.6
399.16339	4.0
401.21475	4.6
443.22559	17.5
462.14426	0.5
487.21536	100.0
488.22006	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	487.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22733	0.3
53.03941	0.8
55.01873	0.6
55.05514	0.4
57.03439	0.4
57.87260	0.3
67.05492	0.4
67.92548	0.3
69.03432	2.9
69.07063	0.4
69.21182	3.2
70.06593	2.1
71.04993	0.4
71.56778	0.3
72.08154	1.2
73.02903	0.4
74.06071	0.3
81.03419	3.1
81.04530	1.3
81.07051	0.8
84.08125	0.8
85.02911	4.0
85.06547	0.5
86.09719	2.9
87.00828	2.0
90.03444	2.3
91.04224	0.5
91.05476	0.4
93.07034	0.6
95.04954	0.6
95.06088	0.9
96.73074	0.3
97.02891	1.8
98.21545	0.6
99.00007	1.3
99.04466	1.2
105.01875	0.9
105.07037	0.4
107.08559	0.3
109.02895	2.4
109.06532	0.5
109.10098	0.3
111.08158	0.3
114.09183	1.4
115.09474	0.3
117.01881	0.5
120.08071	0.5
121.10172	0.4
123.08004	0.3
125.07127	1.3
125.09643	0.9
126.01075	100.0
127.03919	2.8
129.10219	0.4
133.10118	0.3
135.18861	0.3
137.09618	0.9
138.09081	0.3
143.08165	4.7
144.02132	1.1
145.04964	0.7
145.10132	0.4
153.96431	0.3
155.03728	2.8
156.10208	0.4
159.02911	0.9
161.13176	0.3
167.03712	2.5
168.03151	0.6
177.05508	0.7
187.14755	0.3
203.14523	0.3
209.05896	8.0
210.04292	0.5
213.04010	0.3
221.05899	21.0
221.15289	0.3
227.85965	0.3
239.06938	11.8
246.70294	0.3
296.99347	0.3
361.04218	0.5
379.05154	0.3
413.73953	0.5
425.12500	0.6
451.10474	0.7
469.11053	0.7
487.22708	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22916	0.3
55.05525	0.5
58.65400	0.3
67.05498	0.4
69.03445	0.4
69.07075	0.4
70.06599	100.0
71.04996	0.4
71.06955	0.6
71.49176	0.5
71.49548	0.3
72.08160	3.0
81.03418	0.6
84.04530	0.6
84.08157	1.3
85.02921	1.3
86.06094	0.7
86.09715	17.9
87.10070	0.3
90.05539	0.6
91.05486	0.4
92.39485	0.3
97.02953	0.5
98.97600	1.3
99.04462	0.6
103.03946	0.4
110.07192	0.5
111.04440	0.5
114.09203	0.5
115.08756	1.0
116.33097	0.3
119.08618	0.4
120.08113	0.3
123.04494	0.5
127.03988	0.6
127.08688	13.4
128.07120	0.9
129.10327	0.6
135.08121	0.3
136.07591	0.4
140.07085	0.3
143.11848	0.7
145.05019	0.4
147.04491	0.8
147.07680	0.4
154.15947	0.4
155.06883	0.7
155.08163	12.4
156.06589	0.4
171.11398	1.3
179.03476	0.7
180.03793	0.5
183.14948	17.6
184.15309	0.3
185.16566	0.5
189.05771	0.4
194.12805	0.3
195.14928	0.4
199.18201	0.6
201.12419	1.1
202.02548	0.4
211.14426	7.8
213.16162	0.4
217.04991	1.7
219.13536	1.3
228.10103	0.3
239.17632	0.5
240.17096	1.8
268.16574	10.9
274.85757	0.4
298.17694	2.1
306.18347	1.2
307.12302	0.8
313.11954	1.1
314.36182	0.3
316.18689	16.3
325.13144	0.6
331.12949	3.2
336.22717	0.3
353.25473	11.4
355.19955	0.9
373.20847	3.4
381.24988	4.9
440.28336	0.4
453.43481	0.4
468.17899	0.5
468.28339	1.5
486.18518	0.5
486.29428	4.9
487.18393	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	2.8
57.03436	5.7
57.07078	27.0
61.68766	1.2
67.05502	7.0
68.55157	1.4
69.07059	4.8
71.08641	18.0
81.07042	10.3
82.13167	1.4
83.08612	6.9
85.10187	8.6
91.05475	5.0
95.08624	11.0
96.60350	1.3
97.10165	3.0
98.97862	2.3
98.98467	25.5
105.07044	2.2
109.10155	5.2
111.11781	1.5
123.11716	2.6
133.10110	8.8
137.13228	1.8
155.01054	14.0
171.15361	1.2
239.23738	2.1
247.05678	1.5
305.69556	1.4
313.27393	100.0
336.59149	1.4
393.23526	2.0
449.26624	5.8
479.50131	1.4
485.47769	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.6
57.07087	1.2
67.05499	5.7
69.07076	5.3
71.04983	4.0
79.05499	5.1
81.07066	12.9
83.08604	2.3
85.06546	1.6
87.04474	0.9
91.05470	5.6
93.07053	11.4
95.08610	19.6
97.06541	1.3
97.10190	1.5
99.08075	0.9
105.07034	12.5
107.08602	15.9
109.06529	2.6
109.10159	12.6
111.08099	1.0
113.21432	0.8
114.24591	0.8
117.07023	2.2
119.08583	16.5
121.10135	10.6
123.08087	1.1
123.11688	4.2
127.11195	1.0
131.08612	4.2
133.09149	1.0
133.10146	16.8
135.11702	12.0
137.09610	1.8
137.13242	1.8
143.08578	3.1
145.10156	7.0
147.08060	1.8
147.11696	13.8
149.13310	7.0
151.07472	1.6
151.11191	1.7
157.10135	3.6
159.11678	7.6
161.09627	2.0
161.13264	10.0
161.51186	0.9
163.14870	2.0
171.11668	2.6
173.13257	4.0
173.14665	1.2
175.11182	1.3
175.14801	5.2
177.12769	6.5
177.16318	1.5
183.11752	1.2
185.13234	4.1
187.14862	6.6
189.12799	1.2
189.16425	15.4
191.17908	4.6
197.13338	1.7
199.14818	2.9
200.37448	0.9
201.16373	3.8
203.14354	8.1
203.17937	13.5
205.15901	1.1
211.14937	1.6
213.16399	3.0
215.18050	1.3
217.15933	1.0
221.15419	1.4
221.18900	1.0
227.17984	2.0
229.19493	1.5
231.17532	1.1
239.18176	1.1
241.19614	1.1
253.19478	1.7
256.26382	1.1
269.19147	1.2
271.20581	3.3
273.22345	1.0
299.23727	1.6
389.32343	1.4
407.33118	9.8
411.16269	1.8
413.17651	1.3
425.34265	2.1
426.18280	1.1
427.19241	3.5
429.20685	1.0
430.22385	2.6
441.21063	1.6
442.21518	3.3
457.23831	5.9
467.35278	3.0
470.21335	2.0
485.24265	25.7
485.36218	100.0
486.20551	3.6
486.36462	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	485.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71792	3.3
56.96567	4.4
70.06606	18.7
71.47873	4.7
72.08154	4.1
78.70986	3.5
80.66636	3.5
80.94570	3.5
84.08136	5.5
89.03902	3.7
98.97603	5.9
108.79684	3.2
110.97587	4.4
118.06569	24.0
129.10205	3.5
131.04889	5.4
132.08093	5.9
135.04370	5.4
136.07573	7.9
142.74898	3.4
144.08057	16.2
145.02805	4.2
146.06024	72.4
159.09177	8.1
163.02779	3.1
163.03961	27.0
188.07065	100.0
205.09744	46.5
277.77603	3.6
278.98730	3.8
291.02039	3.9
305.15021	5.1
329.57736	3.5
380.66733	4.4
399.12607	5.6
441.13577	20.5
485.12625	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	485.238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	11.6
55.01864	13.5
55.05511	15.5
57.02108	6.5
57.03431	11.3
61.02891	10.8
62.33643	6.2
67.05511	42.7
68.99757	11.2
69.03429	69.7
69.07056	20.9
70.06591	44.5
71.04991	49.9
71.48286	10.3
72.08141	15.3
73.02910	8.0
79.05489	25.2
81.03428	53.0
81.07056	97.3
81.09277	6.1
83.04974	9.4
84.08162	10.3
85.02905	82.4
85.06528	16.9
86.09697	24.4
87.00842	41.8
91.05473	23.5
92.38242	7.2
93.07050	47.0
95.04939	14.8
95.08619	51.3
97.02900	37.0
97.06544	8.3
99.04462	28.7
99.08080	24.3
105.01847	21.9
105.07015	65.6
106.50290	6.7
107.08601	50.4
109.02906	49.4
109.06513	10.6
109.10168	56.4
111.08070	11.4
117.07003	9.1
119.08575	45.1
121.10127	33.0
123.08073	10.6
123.11730	6.8
125.09649	24.0
127.03925	78.9
127.07559	33.7
127.11217	60.5
130.07736	8.0
131.08551	26.7
133.10143	100.0
135.08020	6.4
135.11694	25.9
137.09590	16.4
143.08527	7.8
145.04959	22.5
145.10109	50.1
147.02820	7.5
147.11705	31.3
149.09560	10.6
149.13226	13.5
151.11165	15.7
159.02890	21.5
159.11691	50.1
161.09683	8.7
161.13232	17.4
163.11189	8.2
169.12209	10.8
171.11658	7.5
173.13281	14.6
175.14906	8.6
189.16403	7.7
192.10170	7.5
201.16418	64.7
219.17429	46.9
225.14098	6.1
231.04976	10.1
237.18524	41.0
237.20544	6.8
265.11765	13.1
266.12302	18.9
450.50967	8.8
485.09683	15.5
485.18814	8.3
485.24289	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	485.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68967	5.3
53.03936	16.4
53.86685	6.0
55.01867	11.4
55.05490	8.1
57.03457	5.7
61.02925	11.8
67.05512	9.2
69.03435	40.9
69.07067	7.9
69.37744	12.7
69.38154	35.9
70.33568	5.3
73.02937	10.2
77.36140	4.5
79.05492	17.2
81.03413	28.6
81.07073	35.8
85.02912	84.6
87.00834	32.7
91.05481	17.0
93.07057	24.5
95.04906	5.1
95.08607	36.4
97.02892	22.8
99.04444	14.5
105.01865	22.5
105.07024	42.9
107.08608	26.0
107.23505	6.1
109.02894	35.9
109.06557	5.3
109.10161	18.8
111.08066	7.1
119.08596	32.6
121.10139	29.9
121.38184	5.9
127.03934	47.6
129.01845	5.3
131.08589	30.5
133.10136	18.0
135.11734	9.3
145.04999	20.3
145.10152	58.1
147.11700	23.8
149.13264	8.3
157.10167	7.3
159.02876	17.4
159.11717	58.6
161.13280	22.4
163.11258	6.4
173.13286	10.1
175.14833	8.8
189.16431	11.9
191.17932	9.3
201.16380	100.0
219.17451	59.6
224.02348	11.5
237.18451	36.2
238.18681	6.0
320.12308	5.1
485.23672	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	485.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.0
53.03944	4.8
55.01853	3.0
57.03423	3.6
58.47578	0.9
61.02927	2.0
65.94916	0.7
69.03429	13.1
69.07044	1.0
70.06593	7.2
71.05007	2.0
71.48264	1.0
72.08163	2.5
73.02906	2.6
81.03423	13.9
81.07088	1.0
84.04504	1.7
84.08139	2.2
85.02439	1.4
85.02914	19.9
86.09712	4.1
87.00837	7.3
87.04465	1.0
90.48473	0.9
91.05460	2.1
95.04967	1.5
97.02891	7.5
99.04460	3.4
102.04656	1.0
103.05471	54.5
105.01871	4.9
105.07033	2.0
107.04976	4.3
109.02885	10.4
115.05449	2.6
116.28400	1.0
117.01909	0.9
118.06554	0.9
120.08112	1.8
121.06647	0.8
127.03926	14.8
129.01884	1.0
130.04164	0.9
131.04935	100.0
132.05225	1.6
133.06462	1.3
135.04399	1.4
136.07529	2.5
137.02348	7.0
143.04980	1.1
145.04958	3.7
145.06444	1.5
146.05984	2.7
147.02914	1.1
147.04443	2.7
148.05202	9.5
157.06546	1.0
159.02875	3.8
159.04393	2.0
159.08049	1.1
161.06017	4.0
163.03891	1.9
163.07547	47.7
171.04480	1.3
173.05977	1.5
175.03984	1.5
175.07495	1.6
187.03951	5.6
188.04179	1.4
189.04237	1.5
191.54657	0.9
201.05464	2.4
201.09105	1.5
203.03394	10.3
205.04848	0.9
205.08696	1.4
215.03445	1.2
217.04936	2.0
219.10153	1.8
221.04395	1.6
229.04887	1.8
231.05014	2.8
233.04321	1.5
237.11226	4.4
253.08246	0.9
293.08096	1.2
295.06067	1.6
296.06879	1.0
309.07452	2.6
323.05493	3.0
324.06296	5.7
325.07034	2.5
337.07043	18.2
338.07773	3.3
339.08325	1.8
349.07108	3.7
351.08478	4.4
353.06311	1.3
363.08774	2.3
365.06375	7.8
365.10019	1.3
367.08173	6.5
375.08621	1.3
377.06409	1.9
379.08133	2.3
382.20239	1.0
391.08282	4.3
393.09744	1.6
395.07739	8.1
403.07953	3.1
419.07516	2.6
419.41010	0.9
421.09113	4.9
425.08487	3.8
431.07706	1.7
449.08661	22.8
467.09726	20.8
485.10400	11.8
485.23770	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1292
Annotation	Esculetin 6-O-brta-D-[6'(3-hydroxy-3-methylglutaryl)]glucoside
Peak:m/z	Relative Intensity
52.24656	1.4
53.03939	6.7
55.01870	2.3
65.87926	1.4
66.66179	1.6
67.05508	3.4
69.03435	9.4
70.06263	1.9
70.06602	25.5
71.04977	3.8
71.13467	3.6
72.08146	5.8
79.05495	2.7
81.03443	10.8
83.04999	1.7
84.04494	4.4
84.08125	5.2
85.02914	29.1
86.09717	10.5
87.05593	1.5
89.03919	2.5
91.05478	4.2
95.04961	2.1
95.08611	1.9
97.02898	17.1
99.04468	19.7
100.63439	1.6
103.03325	2.1
103.03952	28.7
105.07014	2.9
107.08627	2.8
109.02879	12.6
109.06531	2.2
109.10213	1.8
110.07153	2.3
115.05450	4.9
116.05782	2.3
119.08639	2.2
120.08147	2.2
123.04427	4.1
124.07586	1.8
127.03928	51.8
129.10219	3.5
131.04922	4.7
131.08542	2.4
132.05228	2.0
133.02881	12.2
135.04422	3.4
135.08038	2.9
136.07610	3.9
143.04883	3.0
143.08263	2.3
145.04976	23.7
147.04443	1.9
148.11281	1.6
155.08180	1.9
156.34492	1.5
161.09665	1.4
163.03943	3.9
163.06023	8.7
175.07571	2.8
179.03410	100.0
187.03935	11.8
187.05968	3.1
188.04271	9.1
188.06941	1.7
189.04558	5.9
197.98375	1.9
207.07697	10.0
213.05486	1.6
237.11096	3.3
271.08170	2.6
305.11279	2.5
312.95029	1.9
319.13046	1.7
323.12326	2.2
333.05984	4.3
341.13565	4.2
485.09830	2.7
485.16141	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	484.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.8
67.05508	0.7
69.03424	0.6
69.68752	0.4
70.06598	3.4
71.04977	0.4
71.48811	0.7
72.08157	0.9
78.30135	0.4
79.05508	1.4
80.05029	0.7
81.03444	0.7
81.04551	1.2
81.05817	0.5
81.07050	0.5
82.06617	1.1
84.08167	0.7
85.02912	0.9
86.09708	1.3
87.00845	0.4
89.32510	0.5
91.05504	2.1
93.07046	4.4
94.06557	4.6
95.04993	0.7
95.07352	4.2
95.08623	0.8
96.04499	0.5
96.08131	9.5
97.02892	0.5
97.06545	1.1
98.06058	0.5
103.05501	0.6
107.07358	1.6
108.04431	0.5
108.08130	5.6
109.02953	0.4
110.06074	1.2
110.09689	14.8
112.07657	0.6
114.09119	0.6
119.15182	0.4
120.08109	11.0
121.06504	3.8
121.08856	0.7
122.06136	0.8
122.07167	2.9
122.09672	8.5
123.06873	0.5
124.03989	1.0
124.07617	1.2
131.07320	0.6
132.04440	0.4
133.06531	0.5
134.06006	0.8
136.03972	1.3
136.07549	2.3
137.08353	0.4
138.09143	46.4
139.09555	0.5
140.07120	0.5
140.08223	1.4
140.10710	7.9
146.09695	1.3
148.07594	2.4
150.05504	0.9
150.09183	1.5
151.07578	0.5
152.07047	0.8
158.09637	0.5
159.08145	0.4
160.07581	0.7
164.07164	0.7
166.08652	12.0
168.06554	0.8
168.10187	1.2
169.13354	0.5
172.07582	1.1
174.09155	3.3
177.06602	3.7
178.08681	3.9
184.07486	0.8
186.09161	1.7
189.10355	0.5
192.10194	14.1
198.09029	0.7
199.08627	0.8
200.07097	1.3
200.10735	1.3
201.10266	1.1
202.08807	0.6
203.08144	0.7
203.11792	0.9
205.09784	0.9
206.08188	0.5
210.14957	0.5
213.10225	1.0
214.08653	1.1
215.08258	0.5
215.11723	0.4
217.09828	2.6
218.10242	0.5
219.11340	1.3
220.09695	7.2
227.08217	0.8
227.11902	1.1
228.10251	3.2
229.09621	2.0
230.08003	0.7
231.07762	0.8
231.11304	3.9
241.09651	0.4
242.08165	0.9
243.07693	0.5
243.11339	1.4
245.09128	2.6
245.12923	1.7
246.11356	0.6
247.10844	0.7
254.08226	0.6
255.11324	2.0
256.09650	2.4
257.09290	3.0
258.09814	0.8
259.11035	0.7
263.10205	0.7
265.11847	23.6
271.10825	1.5
272.12311	0.6
273.12366	8.7
274.10712	1.0
283.10953	0.7
284.09262	0.8
289.11807	2.7
291.13354	2.5
299.10303	3.1
301.11880	2.2
317.11334	18.9
318.12054	1.6
319.12894	100.0
320.13315	1.5
357.83685	0.5
396.46265	0.5
438.20245	5.4
456.21323	22.9
457.21686	0.7
466.19794	3.8
467.18372	1.6
484.20883	14.4
484.31461	0.7
485.21167	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.4
55.01875	5.4
60.04578	0.8
63.62835	0.8
67.05508	1.8
69.03442	1.4
70.06601	6.2
71.48628	0.9
71.49002	1.0
72.08170	5.7
79.05499	2.0
81.03409	1.4
81.07075	0.9
84.08134	2.1
85.02901	2.3
86.09711	2.9
87.64374	0.8
91.05466	1.7
93.07051	5.2
94.06567	4.4
95.04964	1.2
95.07357	4.1
95.08624	1.2
96.08130	11.2
104.10722	1.4
105.07034	1.6
106.06541	1.0
107.07347	3.2
107.08581	1.0
108.04498	1.2
108.08151	6.0
109.08907	1.5
110.09685	16.2
114.02853	0.8
114.09192	1.0
118.08661	2.3
120.08115	15.0
121.06520	2.9
122.06055	1.7
122.09676	17.2
123.04424	1.4
124.07595	2.3
127.03954	1.1
129.10309	1.0
131.07350	1.2
135.04382	1.0
136.07584	2.5
138.09149	100.0
140.10707	18.6
146.09627	2.6
150.05519	1.5
150.09140	1.5
152.07033	1.0
154.08607	2.2
160.86008	0.8
164.07146	1.5
166.08667	2.1
168.06641	1.0
168.10187	1.8
174.09138	5.6
177.06537	1.8
178.08615	2.2
184.07401	1.0
192.10222	6.9
199.08646	1.6
200.07133	1.0
200.10788	1.5
201.10193	1.8
203.11668	1.0
205.09752	1.4
213.10246	0.9
215.11864	1.2
217.09747	2.2
219.10437	0.8
220.09767	5.2
221.14622	0.8
226.08707	1.1
227.08234	2.1
228.10408	4.1
229.09743	3.8
231.11281	2.7
243.11336	3.7
245.09244	2.7
245.12914	1.8
247.10739	1.1
253.10051	0.9
255.11278	2.4
256.09778	0.8
257.09372	7.0
258.09723	1.7
265.09222	1.7
265.11856	18.0
271.10715	5.9
273.12238	4.3
284.06238	1.4
289.11832	2.0
291.13425	1.2
299.10321	6.6
301.11841	1.8
302.04065	1.0
303.05005	1.2
316.13861	2.0
317.11331	43.8
318.11856	1.9
319.12888	37.5
400.52567	0.9
438.09390	1.3
438.20352	10.5
456.21371	48.2
457.21652	1.5
466.19882	5.1
484.09488	3.8
484.20349	10.3
484.31168	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88742	4.0
55.05508	27.2
56.33392	4.5
57.07087	25.8
59.05031	5.1
60.51432	4.4
67.05501	23.8
69.07071	38.0
71.08634	14.4
71.49256	4.6
79.05478	14.2
81.07060	54.4
83.04968	11.4
83.08616	19.7
85.10188	7.1
88.07616	9.3
89.06030	32.4
91.05486	13.8
91.64240	4.0
93.07043	33.9
95.08059	7.1
95.08611	72.0
97.06548	4.8
97.10159	21.2
103.75884	4.8
105.07039	38.4
107.08588	61.3
109.06513	13.7
109.10154	57.7
117.07028	6.7
119.08578	46.2
121.10145	49.6
123.08073	13.6
123.11711	22.5
125.09632	15.4
131.08589	13.4
133.08612	14.0
133.10130	43.6
135.11691	47.4
137.13295	5.7
145.10146	30.5
147.11685	34.6
149.13280	11.9
151.11284	5.4
157.10126	8.6
159.11710	28.9
161.13318	23.4
163.14850	7.0
173.13263	18.7
175.14812	14.0
177.16397	8.7
185.13322	6.0
187.14755	15.5
189.11189	10.9
189.16385	90.0
191.17932	34.5
196.95760	5.4
199.14764	6.5
201.16394	59.2
203.17944	16.9
205.19560	5.0
213.16393	7.7
215.17915	18.5
217.19478	10.2
219.17450	87.7
229.19505	6.4
249.18506	13.9
284.17859	7.9
405.35278	13.1
423.36224	17.2
465.37531	11.8
483.38358	100.0
483.48856	5.5
484.47272	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	483.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	16.8
57.07056	6.5
57.34152	5.1
60.76435	5.3
67.05506	31.7
69.07074	34.7
79.05492	13.8
80.69473	4.9
81.07063	62.9
83.08607	14.0
89.05920	6.6
91.05494	13.0
93.07045	34.4
95.08606	100.0
97.10162	9.7
104.98423	4.9
105.07027	22.0
107.08588	53.4
109.10165	79.6
111.11709	13.5
119.08589	38.8
121.06503	5.7
121.10136	53.1
123.08078	8.9
123.11728	35.1
125.09649	6.0
131.08585	9.0
133.10127	37.3
135.08066	13.1
135.11711	29.4
137.13263	16.1
143.53691	5.6
145.10130	14.5
147.11714	22.2
149.09593	9.9
149.13263	22.0
154.41481	5.6
159.11717	22.7
161.13271	20.3
163.14821	11.7
171.11676	10.1
173.13274	25.7
175.14830	22.6
177.12788	6.4
177.16414	13.9
185.13222	6.2
189.16414	16.0
191.17966	16.5
199.14764	18.1
201.16269	9.3
203.14417	5.9
203.17934	12.5
205.19543	15.7
215.17969	9.7
217.13835	5.3
217.15923	18.4
217.19475	9.2
227.17972	10.7
229.40352	7.1
231.17406	6.3
231.21083	24.2
241.19608	7.3
267.20963	6.8
269.22583	6.9
304.44781	6.6
372.97626	6.2
377.34937	5.3
405.35211	41.2
415.27399	7.2
423.36267	81.3
446.64365	5.8
483.38382	60.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.0
55.05515	6.9
57.07072	3.2
60.48398	0.7
65.03939	0.9
67.05510	14.9
69.07069	10.3
69.44804	2.8
69.45228	2.7
71.08630	1.9
71.97663	0.7
79.05493	8.3
79.98326	0.7
81.07062	28.1
83.04997	1.3
83.08615	6.8
85.06539	2.7
90.61136	0.7
91.05480	9.3
93.07051	22.7
95.04990	1.2
95.08613	41.5
97.06525	3.2
97.10167	4.3
99.08125	1.9
105.07036	26.4
107.08601	35.8
109.06521	8.5
109.10162	32.4
109.12492	0.8
111.08091	4.9
111.11757	1.2
111.82803	0.8
113.09658	1.5
113.63796	0.8
115.05457	1.3
117.07020	2.8
119.08588	36.2
121.10147	39.5
123.08080	2.2
123.11714	17.1
125.09636	3.4
127.02552	0.8
129.07018	1.3
130.07788	0.9
131.08577	9.2
133.10136	100.0
133.66687	1.0
134.10503	1.3
135.07964	0.9
135.11703	35.2
137.09616	3.9
137.13275	5.8
139.11224	1.5
143.08624	2.8
144.09343	2.9
145.10132	17.4
147.11697	22.2
149.09612	3.8
149.13278	12.4
151.11205	1.8
156.09282	1.0
157.10130	4.1
158.10941	2.0
159.11696	33.6
160.12321	1.1
161.13278	17.6
163.11209	3.4
163.14810	8.6
171.11671	5.4
172.12523	2.2
173.13272	21.9
173.14700	1.4
175.14835	17.3
177.12759	2.2
177.16383	10.3
183.11668	1.0
184.12645	1.7
185.13301	3.1
186.14163	1.0
187.14848	19.9
189.16394	18.7
190.16861	0.9
191.14304	5.7
191.17955	50.9
193.15900	2.3
197.13271	1.7
199.14807	9.4
201.16391	16.5
203.17969	18.5
205.15935	6.4
205.19513	4.3
213.16425	5.0
215.17993	18.1
217.15892	1.0
217.19505	7.0
219.17476	5.1
219.21104	2.0
221.19070	1.0
227.18037	2.4
229.19629	2.5
231.17590	1.5
231.21080	1.5
233.19029	12.5
241.19644	1.3
243.21121	2.0
247.20772	1.0
259.24210	1.2
269.22659	1.5
283.24146	1.0
285.25748	1.2
336.21786	0.8
349.43982	0.9
357.83319	0.9
405.35162	12.7
423.36227	13.4
424.36664	1.0
465.37387	3.5
483.38373	92.2
484.39343	4.1
484.45425	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.4
57.07082	0.7
67.05508	2.7
67.41805	0.6
69.03422	0.9
69.07074	5.3
69.38867	4.9
72.40797	0.7
79.05493	2.0
81.07059	8.8
83.04974	4.2
83.05421	0.7
83.08627	2.8
86.01423	0.6
89.05978	0.9
91.05494	1.8
93.07051	6.1
95.04978	1.2
95.08618	16.7
97.10171	1.4
101.92741	0.6
105.07040	3.9
107.08609	9.7
109.06510	1.3
109.10171	7.6
111.08092	1.2
111.11755	0.9
112.42670	0.6
119.08609	5.4
121.10168	9.9
123.08103	1.9
123.11739	4.8
125.09589	1.0
131.08563	1.6
133.10170	5.3
135.08072	3.0
135.11717	8.8
137.09627	1.2
137.13272	4.1
139.11238	1.2
145.10126	2.3
147.11700	4.2
149.09634	14.7
149.13303	2.0
157.10214	0.8
159.11745	2.2
161.09674	1.6
161.13271	3.5
161.15518	0.7
163.11163	1.2
163.14804	1.3
171.11717	1.2
171.23444	0.6
173.13298	2.2
175.14853	4.6
177.16415	2.7
187.14871	1.6
189.16444	4.5
191.17998	3.7
199.14719	1.0
201.16447	1.2
203.14386	1.1
203.18004	1.0
205.19540	1.0
213.16492	0.8
215.17969	3.5
229.19576	0.8
233.19049	5.4
245.19127	1.2
251.91348	0.7
255.20950	0.8
269.22693	0.7
276.77991	0.8
277.18103	2.2
285.22287	0.8
287.23645	4.9
289.79880	0.7
301.25568	1.1
423.36386	1.6
483.38397	100.0
484.38751	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	19.0
58.65435	3.8
67.05495	17.0
69.07058	31.5
69.27209	36.2
71.08620	5.1
79.05487	13.6
81.07060	40.7
83.08620	14.0
84.31291	4.4
89.06037	14.9
91.05477	15.1
93.07046	44.1
95.04951	5.5
95.08610	68.5
97.10181	9.5
99.08119	24.1
101.74404	4.1
105.07034	35.1
107.08594	55.2
109.10165	51.5
111.08076	4.9
113.52116	3.9
116.60931	4.0
119.08592	48.1
120.14264	3.6
121.06522	4.8
121.10149	57.1
123.11716	21.3
125.09664	8.6
131.08522	6.1
133.10149	33.3
133.27477	3.9
135.08098	4.4
135.10690	5.7
135.11688	42.6
137.13286	7.8
143.08554	5.4
145.10158	24.8
147.11697	29.4
149.13319	20.1
157.10106	4.5
159.11691	30.0
161.09508	4.0
161.13275	27.6
163.14827	10.8
171.11684	8.3
173.13272	15.7
175.14903	22.0
175.16154	3.6
177.16475	6.4
184.77350	4.0
187.14861	20.0
189.16441	31.7
191.17969	100.0
201.16426	13.5
203.17928	17.9
210.52625	3.7
213.16440	6.2
215.17914	13.4
217.16022	5.9
217.19478	8.6
219.17337	7.8
229.19559	4.9
233.19005	15.2
284.17834	5.3
319.33737	4.2
349.00555	4.1
385.32959	4.2
405.35208	18.9
423.36203	56.6
467.47632	4.1
483.38205	31.4
484.47119	7.9
503.07043	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	483.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18127	2.5
55.01847	3.6
55.05524	18.1
56.06527	2.9
57.03437	6.7
57.07068	8.1
67.05527	5.9
69.07075	27.3
69.58841	2.8
70.98592	6.8
70.98958	2.8
71.08633	4.8
79.05479	5.5
81.07041	10.0
83.08617	22.9
95.08607	8.1
97.10195	13.7
98.98481	47.4
103.79489	2.5
107.08588	3.6
109.81570	2.8
121.10120	4.2
155.01074	27.8
229.04666	4.7
237.22073	5.6
311.22183	5.7
311.25818	100.0
312.26318	4.2
328.06879	3.3
447.25140	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45794	2.8
50.68174	2.4
52.87560	3.1
53.03946	8.8
55.01866	7.3
55.05513	28.6
57.03439	5.8
57.07078	5.9
65.03926	4.0
67.05505	37.7
69.03431	23.1
69.06720	4.5
69.07069	33.7
70.06595	12.8
71.04980	9.6
73.02912	8.1
79.05501	31.5
81.03426	19.1
81.06593	5.7
81.07059	100.0
83.04980	15.6
83.08611	13.2
84.08154	6.7
85.02914	27.9
85.06538	8.1
86.09708	13.9
87.00843	7.6
89.06049	7.3
91.05486	32.1
93.06486	5.7
93.07050	69.7
95.04976	11.5
95.08614	88.1
97.02896	10.0
97.06548	16.1
97.10139	9.5
99.04443	7.6
99.08084	6.2
101.06017	9.7
105.01850	3.9
105.07040	60.7
107.05000	6.5
107.08607	60.6
109.02913	15.1
109.06522	17.0
109.10170	65.0
111.08068	22.1
111.11693	3.7
113.09599	4.9
117.07022	11.2
119.08591	48.7
120.08134	4.6
121.06502	14.6
121.10151	58.0
123.08080	39.4
123.11721	36.1
125.05990	4.3
125.09624	15.2
127.03922	16.8
128.06236	6.8
129.07033	7.9
129.09169	4.4
131.08542	16.4
133.02835	3.4
133.06528	4.0
133.08592	6.3
133.10139	44.6
135.08051	25.9
135.11679	30.5
137.05965	5.9
137.09615	19.5
137.13272	7.0
139.07521	4.1
139.11212	10.6
141.06938	4.1
141.09151	2.8
142.07813	10.7
143.08562	12.7
143.10788	3.3
145.05026	6.6
145.10138	32.7
147.08060	9.6
147.11697	37.3
149.09595	15.5
149.13280	15.0
151.07573	3.9
151.11168	7.6
153.09048	4.6
153.12737	4.9
155.08522	6.9
156.09329	6.8
157.08783	5.7
157.10124	30.3
159.02879	4.5
159.08086	3.9
159.11702	30.3
159.65979	3.0
161.09637	26.9
161.13286	14.3
163.07509	3.8
163.11194	21.3
163.14812	8.3
165.09142	12.7
165.12759	15.6
169.10129	8.4
170.11014	4.6
171.11739	16.5
173.09607	6.0
173.13257	13.6
175.11230	20.1
175.14827	8.4
177.12740	22.7
179.10718	3.8
181.12253	3.5
183.11664	7.5
185.11751	6.3
185.13284	13.1
185.57803	3.4
187.11209	13.6
187.14783	7.0
189.09131	8.4
189.12721	17.7
189.16434	11.4
191.14288	4.9
193.12294	4.9
197.13319	4.8
199.14769	7.4
201.12775	8.6
201.16382	4.9
203.14307	24.0
203.17938	3.2
205.15770	4.2
206.54689	3.7
211.14767	6.3
213.16338	4.9
215.14302	4.0
217.15877	23.1
219.17453	3.7
227.17924	7.6
231.17462	10.0
233.18990	8.7
235.13367	16.6
235.14505	3.7
235.16931	73.9
245.18964	16.6
247.20702	5.7
257.18945	7.8
263.20154	4.0
273.18668	4.0
275.20102	4.2
303.23196	6.0
319.22653	6.9
321.24548	3.7
365.28479	10.2
383.29492	40.9
393.27844	6.3
401.25806	5.5
401.30576	72.5
402.30701	4.8
411.29050	8.9
419.31592	3.8
429.30054	10.8
447.31284	15.7
483.21918	16.1
483.30368	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	483.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39655	0.3
51.30961	0.3
53.03941	1.0
55.01874	1.0
55.05507	0.8
57.03446	0.5
61.02926	0.6
65.03944	4.1
67.05508	0.8
68.99793	0.8
69.03439	3.5
69.07063	0.6
69.13463	1.5
69.13891	1.4
70.06607	1.7
71.04992	0.9
72.08164	0.8
78.11994	0.3
79.05506	0.7
81.03419	6.3
81.07069	1.5
83.04980	0.7
84.08142	0.6
85.02908	4.7
85.06573	0.5
86.09724	1.1
87.00839	1.2
91.05486	100.0
92.05833	1.1
93.03392	0.3
93.07054	1.4
95.04976	0.9
95.08607	1.1
97.02892	2.0
99.04459	2.4
100.11308	0.6
101.02394	0.3
102.20026	0.2
102.69356	0.3
103.03963	1.2
103.05465	0.4
105.01862	0.7
105.07044	4.0
107.05006	0.4
107.08599	1.2
109.02884	6.3
109.06552	0.3
109.10155	0.6
110.06036	0.3
111.04459	1.0
115.05446	1.6
117.07047	0.6
119.08586	0.9
120.08123	1.6
121.10149	0.5
123.04449	0.8
123.08073	0.5
125.09641	0.7
127.03927	9.0
128.06223	0.5
129.01889	0.4
129.07001	0.9
129.10265	0.4
131.04932	2.4
131.08607	0.8
133.06517	0.6
133.10178	1.0
135.04442	1.3
135.11700	0.4
136.07552	0.5
137.02356	0.7
137.05992	0.5
139.03873	1.6
141.06946	0.4
143.04924	1.9
143.08591	0.7
145.05003	0.8
145.06421	0.6
145.10129	0.8
147.11687	0.9
149.09583	0.4
153.01845	0.8
157.06535	0.5
157.10147	0.7
159.03029	0.3
159.04399	0.3
159.11716	0.9
163.03964	1.0
163.11180	0.4
169.04974	0.4
171.08066	0.9
173.05940	0.3
173.09567	0.4
173.13226	0.5
175.03957	0.4
175.07515	0.7
175.11198	0.4
177.05492	0.5
187.03912	12.0
191.08234	0.6
191.14343	0.9
199.07558	0.8
203.03465	0.4
205.09787	0.6
213.04022	1.1
217.08678	0.6
217.12546	0.4
217.15921	1.6
229.04901	0.4
231.05037	0.8
235.17061	0.8
245.04436	0.4
257.04462	0.4
262.01514	0.3
271.02478	0.9
272.02777	0.6
273.03131	1.0
273.06061	0.4
302.04263	1.0
303.05011	2.4
339.15393	0.4
421.05545	0.8
422.06085	1.2
423.00412	0.6
423.06134	10.2
424.06693	0.7
447.13315	0.5
483.08749	10.4
483.19843	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	1.0
55.01854	0.8
55.05507	1.7
56.05016	0.4
57.03419	0.4
61.02901	0.4
67.05474	1.5
68.70178	0.3
69.03432	2.7
69.07040	1.0
70.06594	2.1
71.04971	0.6
71.47587	0.3
72.08135	0.6
73.02908	0.5
77.28967	0.3
79.05460	1.0
81.03422	2.9
81.07050	2.4
83.04966	0.6
84.04472	0.6
84.08138	0.6
85.02462	0.3
85.02906	4.0
86.09683	1.1
87.00824	2.0
91.05504	1.9
93.07069	1.9
93.07535	0.5
95.04943	0.6
95.08620	2.0
97.02902	1.8
97.06525	0.6
99.04429	1.4
105.01838	1.4
105.03354	0.4
105.07046	2.2
107.08580	2.1
109.02909	3.0
109.06479	0.8
109.10117	1.3
110.07161	0.3
111.08089	0.4
119.04952	3.0
119.08592	2.3
120.08067	1.4
121.06493	0.4
121.10114	1.3
123.04439	13.0
123.08026	0.6
123.11695	0.6
125.09592	0.7
127.03933	3.8
128.06186	0.4
129.01910	0.4
131.04884	0.4
131.08533	0.8
133.10085	2.1
135.08025	0.6
135.11734	0.6
137.05995	0.6
143.08548	1.1
145.04961	0.9
145.10092	1.2
147.04420	6.2
147.08025	0.7
147.11656	1.2
149.09584	1.4
149.13272	0.4
150.46194	0.3
151.11134	0.7
157.10115	1.0
159.02872	1.1
159.11679	1.2
161.09622	1.6
161.13237	0.5
162.10379	0.4
163.03947	0.4
163.11168	1.1
165.05408	0.4
169.10220	0.4
171.11598	0.4
173.13203	0.7
175.03870	1.1
175.11122	0.6
175.14825	0.5
179.10674	0.6
187.03821	0.6
187.14870	0.4
189.16412	0.4
191.10696	0.4
199.14793	0.9
201.05501	0.7
203.03386	8.4
207.06561	0.4
217.15868	7.4
229.02666	0.4
229.04971	7.1
230.05664	0.8
231.05040	0.9
235.16940	1.5
241.04930	0.6
245.01859	0.4
245.04465	16.7
257.04462	100.0
258.05084	4.9
268.80075	0.4
269.04483	3.9
271.06070	1.1
286.04736	0.6
287.05487	8.5
287.08490	0.6
299.05478	5.4
303.23157	0.6
331.08121	7.6
331.11847	0.5
332.08237	0.4
341.06671	0.8
356.60947	0.3
391.08130	2.3
409.09219	52.2
410.09497	1.4
483.21698	3.1
505.23871	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62605	0.8
51.92778	0.7
56.05021	1.6
56.98320	0.7
57.03417	1.0
57.07049	2.5
60.08166	17.1
67.05497	1.9
69.07072	1.4
70.06591	0.9
71.07374	6.9
71.08610	1.8
71.49134	1.3
81.03422	0.9
81.07047	0.9
84.08089	0.7
85.10194	1.3
86.09712	48.8
91.16094	0.7
93.07071	0.9
95.08595	2.5
98.98439	2.9
99.51498	0.8
104.10748	98.1
105.11067	1.6
109.10175	1.0
119.08590	0.9
124.99105	1.4
125.00013	28.1
131.04878	0.9
184.07349	100.0
192.02599	0.8
197.30986	0.9
226.94936	0.7
299.25928	2.1
308.16006	0.8
383.52997	0.9
426.86581	0.9
464.31363	8.5
482.32513	28.4
483.32986	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
70.91899	2.0
70.99838	1.4
81.03420	1.7
82.99876	3.8
88.91690	0.9
89.00929	0.8
94.99844	1.8
101.00885	22.9
101.01506	1.7
101.60026	0.9
109.02851	1.1
113.00864	7.5
115.02451	3.5
119.01936	18.3
125.72128	0.8
127.02426	6.4
129.04015	1.2
131.01904	13.6
133.03470	8.3
137.00911	1.1
139.02400	2.3
143.01901	32.2
145.03477	11.1
147.01387	1.1
155.01904	29.4
157.03479	8.9
159.01418	2.4
160.12999	0.9
161.02968	14.0
167.01900	14.8
169.03514	3.8
171.05025	3.0
173.02971	28.3
174.03015	0.8
175.04544	10.3
177.02481	3.4
179.01837	5.8
183.01414	2.9
183.05052	0.9
185.02968	47.8
186.03116	1.6
187.04561	5.2
191.04010	1.3
197.02977	13.5
199.04573	2.6
201.02440	49.5
203.04015	12.9
209.02965	3.1
211.04639	1.7
212.29910	1.0
213.02425	9.5
215.04025	8.2
217.05647	1.2
219.03510	56.6
220.03664	2.5
221.05104	2.2
225.02588	1.8
227.04033	12.6
229.05554	1.6
231.03506	7.6
233.04985	1.4
235.06705	1.1
237.02498	2.2
237.04529	1.2
239.04063	1.4
240.25465	1.0
243.03542	2.8
245.05083	100.0
246.05222	3.6
249.04652	6.5
255.03496	3.9
257.05109	6.6
257.66357	1.0
261.04596	15.3
263.06107	10.1
275.03461	1.3
275.06155	14.5
279.05603	3.4
285.04517	1.5
291.05588	2.6
291.09097	1.5
293.07275	4.9
303.05609	21.4
303.08908	2.0
304.05823	1.0
305.07111	9.5
321.06705	26.4
321.10117	1.3
335.08258	2.8
337.09979	1.3
363.07904	1.2
365.09402	5.7
483.11960	14.6
483.18274	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	482.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83225	3.5
55.05495	6.6
57.07076	12.6
57.58063	3.0
63.91178	3.6
65.53519	3.4
69.03424	20.7
69.06801	3.7
69.07076	44.4
69.34279	30.3
71.05011	5.9
71.08634	9.4
73.02916	6.5
73.06541	12.4
81.03419	17.3
81.07050	4.0
83.08623	4.0
85.02903	51.1
85.10179	3.9
87.00824	28.1
87.79241	3.2
89.06036	23.9
92.24860	3.3
95.11015	3.7
97.02896	30.9
99.04452	7.8
105.01871	42.1
109.02876	18.7
111.11723	82.8
127.03924	37.1
128.45592	3.5
129.12756	100.0
145.04951	13.4
157.43102	3.3
159.02931	6.8
199.16959	14.0
213.03954	3.7
217.17976	11.7
219.49942	4.0
221.85527	3.8
231.04996	10.5
409.08521	5.0
431.40863	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	482.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.6
53.36688	1.5
55.01874	3.9
55.05510	3.2
62.46687	1.2
65.03954	3.5
67.05507	7.0
69.03435	1.7
69.07022	1.3
70.03771	3.4
70.04173	4.3
70.06580	4.7
72.08149	1.5
79.05487	3.7
80.05009	1.5
81.07037	4.7
84.04501	2.9
84.08139	2.5
85.02913	2.1
91.05505	3.9
92.05019	6.6
93.07045	3.3
95.04986	3.7
95.08599	2.9
96.04483	2.1
96.83565	1.4
98.06024	1.5
100.11237	3.2
105.07037	4.1
106.06539	1.9
107.08575	2.9
108.04472	2.4
108.08105	1.7
109.02887	1.5
109.07600	1.9
109.10143	3.9
110.05988	2.1
111.55030	1.3
117.05758	4.1
117.07010	1.6
119.04872	2.1
119.08582	2.5
120.04478	6.6
120.08062	2.3
121.06480	2.5
121.10152	2.1
122.06052	3.4
130.06523	1.6
131.08617	2.3
132.08090	8.2
133.10115	1.4
134.06004	4.2
135.06779	2.9
136.06660	1.6
136.07550	8.2
137.06078	2.9
137.07083	17.0
138.05481	9.8
144.08093	2.1
145.10158	2.5
146.06032	3.0
147.11655	2.1
158.06017	2.9
160.07564	11.6
161.07085	4.4
162.05560	4.1
164.07066	11.8
165.06688	2.6
166.04982	6.9
167.07281	1.8
168.06622	2.9
172.07664	2.7
174.09070	2.0
175.08708	2.3
182.08189	7.4
182.09558	2.0
182.15381	2.0
185.49184	1.4
187.08647	4.8
188.07063	28.8
189.10294	2.0
191.11813	3.6
197.08446	2.0
197.10764	1.7
198.09296	7.2
199.08669	6.3
199.12314	6.1
200.09320	2.0
208.06129	2.0
210.09201	7.2
211.08653	3.2
212.09328	3.9
212.11024	2.2
213.06590	1.9
213.10095	8.8
214.08765	3.0
214.10950	2.1
215.08223	2.0
216.08800	2.0
217.15707	1.6
224.07216	1.9
225.06735	1.6
225.10252	3.2
226.08800	9.0
227.08160	12.0
227.11792	18.1
227.17990	1.5
229.09856	1.8
234.10004	4.5
235.10870	4.2
235.17035	1.7
237.10260	2.9
238.08662	2.7
239.08072	1.6
239.11755	2.5
240.08644	2.7
241.09737	24.8
242.10513	3.6
246.07668	1.5
253.09688	1.9
255.11302	75.5
256.09473	2.3
257.12784	3.2
258.11292	1.9
259.10913	3.8
267.11487	1.8
268.09650	4.7
269.09195	5.2
271.10733	6.1
273.12271	3.5
283.10800	9.8
284.09171	1.8
285.12097	2.7
286.10730	3.4
287.10220	13.9
288.11432	1.6
291.11240	2.6
295.12988	9.9
299.10193	1.9
301.11829	82.4
302.12262	2.2
304.11700	1.7
311.10214	6.2
313.11798	4.2
316.10614	1.8
317.12552	1.8
319.12888	8.4
329.11386	2.9
331.12943	4.9
333.16000	2.7
347.12384	100.0
348.12964	4.6
359.12350	8.1
377.14984	1.6
390.14667	1.8
404.16049	7.1
405.14441	2.4
409.16617	2.8
410.14767	2.9
419.16516	3.0
420.17081	8.3
421.17520	2.8
429.14035	1.7
437.17203	8.3
439.18549	4.6
447.15640	4.5
448.13696	3.2
464.18271	14.4
465.10040	2.3
465.16626	30.0
482.19180	12.7
482.31360	2.1
482.37753	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	481.368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	12.3
57.07077	4.5
67.05511	22.7
69.07056	12.8
71.49660	3.1
79.05489	12.0
81.07062	34.3
83.08617	5.4
85.10213	3.4
89.06007	8.9
91.05476	14.4
93.07043	19.0
95.08069	4.8
95.08612	61.8
104.63613	2.8
105.07037	26.8
107.08605	34.4
109.06522	14.7
109.10167	43.9
110.13184	3.1
117.06986	4.2
119.08595	47.0
121.06539	3.3
121.10148	21.4
123.08056	21.6
123.11690	7.0
125.09646	3.3
125.26810	2.7
129.06993	5.2
131.08551	7.7
133.08592	4.2
133.10124	42.1
135.08040	6.0
135.11688	17.9
138.06622	3.2
142.07750	5.0
143.08534	7.3
144.09334	3.8
145.10132	20.0
147.11700	31.4
149.13271	7.5
157.10115	11.5
159.11719	18.8
161.09645	6.7
161.13266	12.3
163.14819	3.9
171.11658	8.0
173.13278	14.9
175.14793	8.5
183.11621	5.6
185.13280	5.2
187.14798	14.0
189.16399	100.0
191.17914	3.6
197.13210	5.0
199.14861	21.4
201.16446	7.4
203.17957	4.9
207.17400	3.8
210.14502	3.1
211.14845	3.8
213.16452	8.7
214.58540	3.4
215.18079	4.7
217.15881	79.2
227.17963	6.3
231.17371	3.7
241.19638	4.1
249.18526	11.7
267.21054	4.0
283.17505	3.8
403.33679	7.6
421.34631	8.9
453.08887	3.3
463.35785	25.9
481.36905	82.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01780	5.3
55.05500	16.0
57.07075	5.5
59.53589	4.5
61.15919	4.5
63.91890	5.6
66.81966	4.8
67.05505	32.7
69.07072	25.8
69.49181	9.2
69.49591	31.5
70.98293	4.3
79.05484	27.2
81.07062	49.6
82.20376	4.6
83.08604	12.8
89.06014	8.2
91.05475	19.8
93.07037	42.7
95.08614	70.3
97.06519	6.0
97.10149	6.1
105.07047	46.8
107.08600	62.6
109.10161	92.2
111.08065	6.5
119.08587	58.4
121.10143	68.0
121.10950	7.6
123.08065	9.1
123.11709	18.7
125.09660	5.5
125.61210	5.0
131.08548	13.9
132.60019	4.8
133.10136	64.1
135.08055	31.2
135.11719	38.1
137.09633	5.9
137.13274	9.1
143.08578	11.5
144.76855	7.5
145.10146	27.7
147.11699	33.0
149.13237	18.2
157.10118	18.1
158.82806	5.7
159.11697	33.4
161.13277	34.2
163.14789	12.5
169.10115	5.8
171.11702	18.3
173.13283	21.0
175.14798	17.1
177.16374	9.7
183.11682	9.3
185.13220	9.8
187.14763	17.1
189.16388	79.0
191.17998	11.8
199.14798	17.0
201.16380	13.4
203.17929	9.3
213.16417	17.4
215.17938	10.7
217.15851	23.0
223.14870	5.1
227.17934	9.5
229.19469	10.6
231.17397	10.6
241.19531	9.5
249.18529	8.0
267.20862	9.0
313.08151	5.0
339.26801	7.6
353.79364	6.7
392.71442	4.9
393.34784	6.3
403.33463	20.3
421.34622	23.6
463.35593	15.3
481.36737	100.0
506.28375	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47026	1.9
53.03959	2.0
54.58086	2.3
55.05507	4.2
57.07056	3.4
62.77370	1.8
62.79289	2.0
64.96016	2.2
67.05496	6.1
69.07060	9.0
69.42315	8.4
69.42744	8.1
71.71554	2.2
79.05495	15.3
79.44327	2.9
81.07056	13.6
83.08624	2.4
89.06027	2.2
91.05481	9.2
93.07057	11.4
94.66834	2.4
95.08617	20.7
98.20763	3.5
105.07036	19.7
107.08596	25.7
109.06520	4.6
109.10151	13.1
113.25320	1.8
119.08583	36.8
121.10181	10.5
123.11716	2.9
131.08611	3.0
133.08614	2.8
133.10127	26.0
135.08049	47.9
135.11736	9.1
137.09607	3.4
143.08554	3.7
145.10133	9.0
147.08156	4.1
147.11682	22.6
149.09592	2.2
151.11154	2.2
157.10159	8.1
159.11700	5.1
161.09662	10.8
161.13289	7.4
163.14803	2.1
173.13226	4.9
175.14755	4.5
187.14798	4.2
189.16394	100.0
199.14859	4.0
201.16423	4.1
213.16344	2.2
217.15904	23.4
237.16681	2.3
249.18513	17.2
333.06522	2.0
339.26813	4.5
397.31149	4.7
399.29031	6.2
403.33261	2.4
421.34564	5.1
463.35809	3.9
481.36865	39.5
495.29645	2.5
508.60321	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.1
55.01868	3.0
55.05511	18.2
57.03439	10.8
57.07080	9.6
65.03931	2.5
67.05515	18.2
69.03438	11.8
69.07075	29.2
70.06592	6.6
71.04995	3.9
71.48579	3.5
71.48962	1.6
73.02921	2.0
79.05496	4.5
81.03419	8.8
81.07064	12.2
83.08622	6.3
84.08135	3.2
85.02917	15.9
85.06528	2.8
86.09725	3.8
87.00845	8.8
87.04498	2.1
89.06011	2.6
91.05486	5.1
93.07049	7.1
95.04958	3.3
95.08601	6.6
97.02892	8.9
97.10177	33.7
99.04461	3.7
105.01871	5.7
105.07024	6.4
107.08632	7.4
109.02886	7.0
109.06520	2.7
109.10166	54.9
111.11720	1.8
115.11210	18.5
117.07029	2.2
119.08587	7.9
120.08137	1.7
121.06562	2.6
121.10149	3.9
122.03655	1.7
123.11737	1.8
125.09640	2.8
127.03929	14.8
127.11203	100.0
131.08585	3.3
133.10121	5.8
135.08087	5.3
137.05989	17.4
143.08556	2.4
145.04976	2.9
145.10144	4.5
145.12248	13.4
147.11722	2.7
149.09660	1.9
151.07568	1.9
151.11189	1.7
157.10150	2.6
159.02892	1.9
159.11717	3.2
161.09624	2.3
161.13152	1.6
173.09650	5.4
173.13138	2.0
175.03900	3.4
175.11240	2.0
175.14911	2.1
182.15283	1.7
187.11101	2.5
215.14308	3.0
215.16426	3.6
231.04961	2.2
231.10136	4.7
232.10532	3.1
233.08183	1.7
233.10750	2.5
233.15411	2.8
233.17493	6.4
463.18503	1.8
481.20074	2.9
481.28299	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2048
Annotation	Briarlide H
Peak:m/z	Relative Intensity
56.94333	0.8
58.15545	0.7
59.45888	0.9
67.05497	0.8
67.10268	0.7
69.03450	0.7
69.07063	1.9
70.06599	6.5
70.93397	2.3
74.38343	0.7
77.00471	0.8
79.05514	1.1
81.07082	2.1
85.02909	1.0
85.12241	0.9
86.09692	1.6
91.05476	1.1
93.07038	1.5
95.08599	1.2
105.07043	2.2
107.08595	2.3
109.02843	0.8
119.08584	4.5
120.08122	3.0
123.04379	1.0
133.10138	5.4
137.06000	3.9
169.09717	1.4
175.14870	3.0
187.03992	1.4
223.03505	0.8
233.15372	1.5
245.06357	2.5
269.04605	1.9
271.02069	1.0
276.99149	0.7
287.03638	1.0
289.05334	60.3
297.03922	2.8
319.06302	1.2
329.06738	1.3
395.20395	1.4
419.20453	2.7
421.05493	7.0
428.40210	1.2
437.21552	14.7
463.19421	22.8
463.25742	1.6
481.08456	2.6
481.20505	100.0
482.20807	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	481.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	0.2
55.05485	0.4
67.05466	0.8
67.59103	0.2
69.03387	0.5
69.07043	0.3
70.06604	1.3
71.15971	0.5
72.08119	0.5
79.05471	0.5
81.03378	0.6
81.07021	0.8
84.08115	0.3
85.02860	0.6
85.06503	0.7
86.09706	1.0
91.05437	0.5
93.07006	0.7
95.04941	0.4
95.08595	1.0
97.02852	0.3
97.06486	0.2
99.04461	0.2
103.05448	0.2
105.07008	0.6
107.08583	0.5
108.35706	0.2
109.02842	0.4
109.06489	0.3
109.10166	0.3
111.08079	0.3
119.08573	0.3
119.42146	0.2
120.08073	0.7
121.06519	0.4
121.10103	0.6
123.04444	1.1
125.09615	0.4
129.10159	0.3
131.08588	0.4
133.10089	0.5
135.08052	0.3
135.11652	0.3
136.07547	0.4
137.02364	3.5
137.03357	0.4
137.06003	2.1
137.09569	0.2
145.10042	0.5
148.11198	0.5
149.11592	0.3
149.13226	0.2
150.03119	0.4
154.02571	0.2
163.03882	0.3
171.04431	0.3
175.03922	1.1
182.15344	0.3
187.03902	1.1
200.04634	0.6
201.05190	0.2
203.03430	3.6
207.02802	0.4
210.14841	0.4
213.04883	0.2
215.03387	1.3
215.14362	0.3
216.04129	1.4
218.02119	0.2
224.55476	0.2
227.03333	1.2
228.04092	0.3
229.05019	0.4
233.04398	0.9
243.02933	1.4
244.03709	3.0
245.04491	0.7
255.02849	0.5
257.04459	1.6
258.04837	0.3
259.02362	0.7
263.07019	0.3
271.02386	23.0
272.02658	0.5
274.06256	0.7
285.03989	1.0
289.03366	0.5
291.06491	0.7
294.01465	0.4
295.06033	0.3
297.03949	0.5
302.05637	0.6
303.06598	2.5
309.07663	0.8
319.06061	4.1
320.06750	0.8
326.08813	0.3
331.06024	0.7
337.07080	1.2
347.05481	2.6
348.06244	1.0
349.07166	0.5
351.04941	0.3
359.05695	0.6
363.05267	0.2
365.06580	3.7
375.05154	0.6
376.05829	2.4
377.06610	0.4
393.06104	0.8
403.04526	0.2
404.05048	0.4
405.06430	0.5
409.29291	0.3
421.05554	100.0
422.06152	8.5
439.01630	0.2
477.56659	0.2
481.07678	50.3
482.07953	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	0.2
55.01853	0.3
55.05494	0.2
60.52807	0.2
62.10465	0.2
66.98298	0.2
67.05492	0.4
69.03419	0.3
70.06600	1.0
70.07010	0.4
70.07409	0.4
72.08134	0.5
79.05486	0.3
81.03390	0.6
81.07018	0.7
83.04987	0.2
84.08118	0.3
85.02880	0.2
86.09683	0.5
91.05464	0.4
93.07021	0.5
95.04930	0.2
95.08594	0.4
98.20849	0.3
98.97591	0.2
99.04405	0.2
105.07038	0.3
107.08569	0.3
109.02863	0.4
109.10152	0.3
110.07143	0.3
120.08093	0.4
121.06431	0.2
121.10087	0.3
123.04381	0.8
125.09643	0.2
127.03918	0.3
129.10214	0.3
130.05026	0.2
131.08537	0.4
135.08043	0.2
135.11679	0.3
136.07553	0.7
137.01385	0.3
137.02356	3.3
137.03345	0.4
137.05995	1.5
144.08011	0.2
145.10121	0.2
147.04410	0.2
147.11629	0.2
148.11176	0.7
149.11456	0.2
150.03128	0.3
159.09152	0.3
169.66432	0.2
175.03871	0.8
179.03493	0.2
185.13348	0.2
187.03870	0.7
187.14874	0.2
200.04640	0.5
203.03416	3.2
215.03409	1.2
215.14294	0.2
216.04218	1.5
221.06003	0.2
227.03360	1.1
228.04137	0.6
228.33981	0.2
229.04976	0.5
243.02875	1.1
244.01349	0.3
244.03679	3.0
245.04456	0.8
255.02864	0.7
257.04395	1.3
259.02347	0.6
269.04434	0.4
271.02386	20.7
272.02798	0.4
273.05521	0.2
274.06259	0.8
275.06998	0.3
281.07816	0.3
285.03940	0.7
288.90164	0.2
289.03146	0.4
291.06476	0.9
292.07407	0.3
293.08060	0.3
294.01514	0.4
297.03998	1.4
302.05701	0.6
303.06601	2.8
309.07666	0.6
319.06076	3.9
319.12631	0.2
320.06778	1.0
321.07538	0.2
326.04227	0.4
329.06583	0.5
330.05374	0.2
331.06030	0.8
337.07126	1.6
347.05551	2.5
348.06213	0.6
349.07132	0.6
351.04959	0.3
351.22665	0.2
359.05551	0.7
365.06628	4.2
375.05023	0.7
376.05716	2.7
376.10226	0.4
377.06439	0.3
393.06076	0.8
403.04068	0.4
404.05142	0.4
405.06018	0.4
421.05554	100.0
422.06195	7.8
423.06638	0.2
463.19418	0.4
481.07675	52.6
482.07913	1.9
485.38940	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33220	3.3
53.03944	10.3
55.01863	14.6
55.05502	14.5
57.03427	8.7
61.02928	5.9
66.59496	3.5
66.84341	3.1
67.05502	16.8
69.03426	47.5
69.07078	11.5
69.37447	25.5
70.06584	10.4
71.04992	10.9
72.08141	4.7
73.02934	5.2
79.05498	9.3
81.03420	38.6
81.07061	38.6
83.04977	6.0
83.08617	6.5
83.36933	3.0
84.08171	4.5
85.02908	100.0
85.06525	6.6
86.09702	3.9
87.00842	38.7
91.05473	16.5
93.07034	16.0
95.04988	4.5
95.08608	35.6
96.08919	3.6
97.02893	34.6
97.06551	9.2
97.10178	6.8
99.04433	16.3
99.08094	4.7
105.01871	39.2
105.07014	22.2
107.08579	6.6
107.87016	2.9
109.02888	32.8
109.10178	9.4
111.08170	3.3
117.01872	4.1
119.08591	15.3
120.08102	4.1
121.10181	7.9
123.08073	5.1
125.09584	3.5
127.03925	66.5
133.10152	15.8
135.11700	11.7
136.07512	3.3
137.05969	8.5
137.09673	3.8
137.13139	6.1
145.04977	19.9
145.10092	4.5
147.02899	3.6
148.11217	7.1
151.03778	3.2
153.01729	3.7
159.02930	17.2
161.13283	57.8
175.03934	12.9
176.04250	10.3
179.14319	99.2
185.15434	3.0
197.15388	39.2
213.03871	6.1
215.16476	10.7
223.78934	3.4
231.05046	14.1
231.10179	8.3
232.10539	14.5
249.05981	3.7
278.67346	3.8
305.17426	6.2
309.08722	3.6
323.18448	4.7
335.14404	3.6
355.09357	8.3
360.86868	3.6
409.18744	6.2
480.18054	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	480.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.8
55.01874	1.6
65.03934	3.2
67.05496	1.8
69.50669	4.0
70.06572	1.0
71.04980	0.8
72.08150	0.9
75.04459	2.6
77.03949	0.8
78.04707	2.5
79.05488	1.8
79.42460	0.6
85.02897	3.1
85.06548	0.8
86.09705	3.2
87.71897	0.9
89.03930	1.0
89.06002	1.4
91.05489	9.6
93.03410	10.9
93.07059	5.4
95.04974	3.3
95.08554	0.9
97.06520	3.1
101.93456	0.7
103.05459	5.5
105.04488	1.5
105.06994	0.9
106.03479	1.5
106.04177	23.5
107.04939	3.0
108.05808	0.7
109.06569	1.1
117.03355	1.4
118.04218	0.6
119.04953	0.8
120.08103	2.0
121.06512	24.8
122.07359	1.0
123.04433	0.9
125.06001	7.4
131.04950	2.1
131.05934	0.7
134.03618	3.8
134.38055	0.8
135.04402	1.7
137.05954	3.0
138.06667	1.0
139.07545	1.7
145.02870	1.3
148.05200	3.4
149.05991	41.4
151.03931	0.9
151.07542	1.6
153.05484	2.2
153.09105	10.6
163.03859	1.4
163.07541	1.6
166.25293	0.7
167.07056	4.9
177.05475	23.5
181.08598	20.7
181.10219	0.9
182.09421	1.4
186.22456	0.7
191.07010	1.9
197.11708	1.0
209.08101	100.0
210.08760	3.2
245.49915	0.8
430.64359	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
55.01861	1.8
55.45184	0.5
62.54048	0.5
65.03931	2.4
67.05495	1.7
68.08233	0.5
69.36521	4.4
70.06566	0.7
75.04486	4.1
78.04700	2.9
79.05501	2.5
81.03374	0.6
81.07010	0.7
84.22052	0.5
85.02903	2.7
85.06561	0.7
89.03930	1.2
91.04993	0.7
91.05492	10.0
93.03413	10.2
93.07045	5.9
95.04971	2.9
97.06541	2.5
103.05473	4.9
105.04518	0.9
105.07005	0.9
106.04185	27.2
107.04959	2.8
109.06564	0.8
117.03369	1.6
119.04955	1.4
120.08114	1.2
121.06516	25.5
122.07313	0.6
123.04413	1.9
123.08088	1.0
125.05998	8.3
125.96523	0.5
131.04930	2.4
134.03618	4.6
135.04413	1.7
135.08153	0.5
137.05991	6.8
138.06816	0.9
139.07541	1.8
141.83057	0.6
145.02824	1.8
148.05154	2.0
149.05994	43.8
151.07527	2.0
153.05493	1.2
153.09122	12.2
154.06284	0.5
159.04396	0.9
163.03934	1.8
163.07518	2.1
165.05443	0.7
166.06238	1.2
167.07108	4.4
169.62508	0.6
176.38332	0.5
177.05481	23.8
179.10684	1.0
180.07813	0.9
181.08601	18.9
182.09320	0.8
191.07043	2.1
192.07782	0.6
195.06598	1.4
197.11760	2.9
197.60094	0.5
209.08107	100.0
210.08768	3.2
243.88989	0.5
246.30336	0.5
291.06229	0.6
369.13300	0.7
401.15634	0.7
424.87183	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20712	6.1
57.06839	6.3
57.07073	71.5
67.05508	12.8
69.07080	12.7
70.33264	18.1
70.33612	7.3
71.05006	15.9
71.08635	68.3
79.05476	9.2
81.07042	26.7
81.07491	7.5
83.08636	7.9
85.10179	44.4
85.59291	6.3
89.06060	53.6
93.06999	8.5
95.08602	16.8
95.22123	6.7
98.21399	8.6
107.08596	14.8
121.10175	10.6
125.06006	60.9
133.10117	9.3
141.05537	10.1
144.25238	7.3
145.10138	11.3
149.09689	8.7
151.07530	34.1
153.05472	100.0
165.09152	22.9
177.09178	19.2
179.10657	13.5
181.08604	9.3
191.10579	8.6
260.55789	6.7
265.18225	10.3
271.60797	7.7
293.21127	10.9
376.98251	6.9
419.35287	52.9
479.34958	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	479.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	23.2
56.45979	7.9
57.07062	9.3
59.05004	15.8
66.93538	7.9
67.05499	23.4
67.85771	6.8
69.07068	30.8
69.12000	9.1
70.78152	9.2
71.49260	9.9
79.05480	16.8
81.06634	8.1
81.07043	43.7
83.08636	21.5
91.05493	18.1
93.07034	35.3
95.08610	75.9
96.39421	7.3
97.10181	8.4
105.07024	60.0
107.08598	69.4
109.10167	54.7
117.07038	12.8
119.08581	65.6
121.10116	47.5
123.11716	15.7
130.07829	7.5
131.08554	16.9
133.10150	57.4
135.11702	34.9
143.07024	14.8
143.08560	29.5
145.10132	36.3
147.11694	41.1
149.13264	14.2
155.08533	15.1
157.10153	38.5
159.11681	31.0
161.13251	29.7
163.14839	9.2
169.10143	31.9
171.11732	17.8
173.13269	20.3
175.14850	17.7
177.16357	11.0
181.10103	11.5
183.11693	23.8
184.12431	11.6
185.13274	17.9
187.14783	21.4
189.16362	54.4
191.17938	26.1
196.12540	11.6
197.13222	15.6
199.14879	49.2
201.16447	11.3
203.17993	14.1
209.13254	10.4
211.14827	77.6
213.16403	31.7
215.14296	18.2
217.80154	8.3
225.16338	15.1
227.17982	9.9
229.15816	39.4
279.21017	10.4
342.21704	9.5
391.33533	10.4
401.31970	36.1
403.16458	10.0
418.73392	9.2
419.33167	30.8
430.29669	8.8
461.34164	77.3
461.39804	17.6
479.35220	100.0
498.21155	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	479.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20201	4.2
53.03943	11.3
55.01868	13.5
55.05516	36.8
57.03439	29.2
57.07074	7.0
61.42348	4.7
63.83255	4.4
65.03945	8.1
67.05513	87.4
68.17999	4.6
69.03432	37.5
69.07076	36.8
71.01333	6.4
71.04991	7.9
71.48862	8.2
73.02888	5.2
74.20800	4.9
74.57958	5.8
79.05492	63.9
81.03411	37.1
81.07065	100.0
83.04975	10.9
83.08620	16.3
85.02926	17.8
85.06525	7.0
91.05490	76.6
93.07050	82.7
95.04961	21.1
95.08624	65.5
97.02905	21.4
97.06553	11.9
97.10174	7.7
99.04444	8.9
103.03913	13.1
104.10776	5.9
105.07047	71.3
107.04962	12.3
107.08607	45.6
109.02892	16.4
109.06535	13.7
109.10165	31.3
111.04469	13.3
113.09653	5.0
115.03959	4.6
115.05494	5.0
117.07025	35.8
119.08583	56.1
121.06489	12.9
121.10167	28.1
123.04421	6.3
123.08062	9.2
123.11743	13.6
125.09640	7.6
127.03904	20.1
128.06256	9.0
129.07053	25.7
131.08595	50.4
133.06488	14.5
133.10138	43.7
135.08124	10.9
135.11693	23.4
137.09615	11.3
141.07014	14.0
143.08601	28.5
145.06499	15.5
145.10135	35.5
147.08061	13.1
147.11726	25.6
149.09628	10.1
149.13278	13.1
154.07832	5.5
155.08569	15.6
157.06467	9.1
157.10114	21.4
159.08076	11.1
159.11740	21.9
161.09634	8.9
161.13260	20.8
163.14838	8.5
165.06967	5.1
165.09160	6.2
169.10168	16.7
171.08040	8.1
171.11699	14.3
173.09738	6.5
173.13313	19.9
175.11221	7.5
175.14873	8.9
177.12761	6.3
181.10170	8.3
183.06544	7.4
183.11703	10.7
184.07318	7.9
185.13248	16.9
187.11171	9.0
187.14870	11.5
189.12720	9.8
195.11711	5.9
197.09581	6.9
197.13252	11.9
199.14903	6.6
201.12752	8.7
209.13254	7.4
211.14807	5.4
213.12793	8.8
213.16425	7.2
233.15364	6.2
248.81021	5.2
259.20483	10.1
261.22226	7.4
273.22058	6.5
275.16565	5.1
275.20203	5.0
283.20804	6.0
285.22327	7.6
295.29102	5.3
301.21533	6.1
315.23196	9.5
323.23938	8.2
327.23239	7.8
329.25046	5.4
341.24844	10.1
345.24261	11.0
351.23239	12.7
357.24304	5.8
359.25778	7.7
369.24335	43.8
387.25388	37.7
419.27856	8.7
431.28198	8.0
443.28116	33.7
449.28711	15.0
461.28934	65.6
479.30026	90.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	9.5
55.01869	7.1
55.05516	28.1
57.03448	18.2
57.07077	3.2
61.02929	2.6
65.03940	4.6
67.05509	64.0
68.45859	1.9
69.03430	24.7
69.07069	23.0
69.87638	8.1
71.01369	2.3
71.04987	4.9
73.02917	4.4
73.18856	1.9
77.42897	1.9
79.05069	3.7
79.05499	47.3
81.03421	20.7
81.07059	100.0
83.04987	13.1
83.08630	11.9
85.02924	11.9
85.06557	4.6
87.04465	4.6
91.05489	44.3
91.06027	3.5
93.07052	56.4
95.04990	10.1
95.08616	41.1
97.02898	8.4
97.06549	10.5
97.10161	4.0
99.04463	5.8
99.08096	4.1
103.03943	3.4
105.04418	1.9
105.07041	44.1
107.08598	28.0
109.02885	7.8
109.06529	6.1
109.10146	12.1
111.04464	3.4
111.08082	4.9
115.03953	2.7
117.07024	13.1
119.08584	29.5
121.06498	2.9
121.10154	31.0
123.04432	3.7
123.08062	4.8
123.11717	20.1
127.03904	11.2
128.06174	3.3
129.05496	5.0
129.07031	7.4
131.08580	18.8
133.06482	3.6
133.10159	17.5
135.08028	3.5
135.11725	10.3
137.06012	3.1
137.13324	2.7
141.07121	2.0
143.08583	6.9
145.06514	5.6
145.10120	13.1
147.08057	3.8
147.11699	38.0
149.09706	3.3
149.13274	16.7
155.08586	2.3
157.06454	2.4
157.10176	7.7
159.11723	15.0
161.09639	3.8
161.13261	5.3
165.12794	15.7
169.10158	5.3
171.08134	3.1
171.11703	6.4
173.09634	3.2
173.13274	7.6
175.11208	2.5
181.10231	2.1
183.06491	4.5
183.11740	4.0
185.13303	3.1
187.11179	2.6
187.14856	3.7
195.11819	2.8
195.13866	7.1
197.13318	2.7
199.14922	4.0
223.14571	2.4
227.25131	1.9
229.14307	3.3
243.21191	2.2
259.20596	3.6
261.22202	5.4
262.47095	1.9
267.15930	25.5
273.22073	2.4
276.99561	2.1
277.21442	1.9
301.21878	2.5
303.23126	2.0
315.23206	3.8
317.24579	2.1
327.23193	4.5
341.24820	5.3
345.24371	3.5
351.23300	7.3
369.24295	11.4
387.25388	5.8
419.28015	2.4
443.27945	10.7
450.91629	2.1
461.28940	18.5
479.30051	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	479.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28434	1.1
53.03939	4.0
53.51812	1.1
55.01867	2.3
55.05516	18.8
56.96563	1.4
57.02287	1.1
57.03444	5.5
57.07070	1.7
61.02923	1.4
65.03937	2.7
67.05507	51.5
67.09854	1.0
69.03438	1.8
69.07072	23.0
69.17599	8.6
69.18005	2.7
70.06594	2.3
71.04987	3.6
71.08636	1.2
72.61666	1.2
78.28841	0.9
79.05497	34.0
81.03422	2.0
81.07059	100.0
83.04983	7.1
83.08222	1.3
83.08633	13.2
85.06536	6.7
90.11188	1.0
91.05483	28.4
93.07047	39.0
95.04976	4.9
95.08611	25.3
97.06529	9.4
99.08102	2.8
105.04520	1.7
105.07036	28.3
107.08602	23.9
109.06518	3.4
109.10148	3.7
111.08089	4.8
113.05996	1.8
117.06998	5.9
119.08593	21.8
121.10143	24.6
123.08063	2.7
123.11714	25.0
127.07542	2.9
131.08572	4.8
133.10143	4.7
135.08047	1.4
135.11699	4.3
139.11174	1.4
145.10135	1.6
147.11697	50.3
148.11130	1.8
149.13254	17.8
157.10040	1.5
159.11740	6.7
165.12758	26.8
177.12787	4.0
183.13847	4.7
192.18120	1.1
193.12225	1.7
195.13838	8.8
213.14952	1.7
229.14377	5.0
267.15915	34.4
267.18622	2.3
268.16315	1.2
269.17392	2.1
289.09360	1.1
293.90793	1.1
324.11667	2.1
461.28690	2.0
461.47626	1.1
479.30054	48.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36677	2.8
52.64047	2.8
53.03939	12.8
55.01863	14.0
55.05521	34.5
57.03442	37.2
57.29906	2.9
61.02930	3.9
65.03934	6.7
67.05510	100.0
69.03439	61.7
69.07072	26.5
71.01343	7.2
71.04980	11.3
71.49323	3.1
73.02898	9.5
79.05077	4.9
79.05500	69.8
81.03423	44.5
81.06597	5.3
81.07067	92.7
83.04990	18.2
83.08627	16.5
85.02914	36.0
87.04494	4.5
88.96684	3.4
90.29904	3.1
91.05487	66.3
91.32117	3.2
93.07048	66.6
95.04986	17.3
95.08071	5.2
95.08618	78.0
97.02924	26.0
97.06532	11.3
97.10175	6.2
99.04472	17.3
101.02381	5.1
103.03939	9.1
105.07034	65.6
107.04963	9.0
107.08608	49.7
109.02890	25.0
109.06512	13.7
109.10145	32.1
111.04445	9.5
113.02392	4.4
115.03913	4.2
115.05421	4.5
117.07024	28.7
119.08598	45.8
121.06525	7.3
121.10162	35.8
123.04449	4.7
123.08067	11.4
123.11678	8.2
127.03236	3.1
127.03936	31.3
128.06209	9.6
129.05472	9.3
129.07034	19.6
131.08582	34.6
133.06508	10.3
133.10138	43.5
134.14249	3.1
135.08076	7.2
135.11731	16.0
137.05939	4.4
137.09662	6.8
141.05450	4.6
141.07019	6.3
142.07751	4.9
143.08560	22.7
145.04935	9.8
145.06490	8.2
145.10124	37.8
147.08032	8.1
147.11700	28.2
149.09639	6.0
149.13220	10.7
155.08559	9.5
157.06546	6.4
157.10135	20.8
159.08075	5.8
159.11737	25.2
161.05965	3.1
161.09622	8.8
161.13229	17.9
163.11224	7.9
163.14822	4.4
167.08591	4.2
169.10117	10.4
171.08006	4.4
171.11678	16.5
173.09651	6.9
173.13303	18.3
175.11195	7.1
175.14789	7.3
177.12781	4.5
181.10045	3.1
183.06480	7.3
183.11681	7.8
185.09686	3.5
185.13220	15.7
187.11229	5.2
187.14775	8.8
189.12767	6.2
195.11646	6.0
197.13283	5.0
199.11119	6.2
199.14827	8.2
201.07596	8.4
201.12753	5.6
201.16447	4.3
211.14796	5.2
213.12668	3.6
213.16393	4.2
215.14340	3.3
225.16342	2.9
227.14288	4.6
243.21118	4.8
259.20544	9.4
261.22113	11.5
271.20639	4.2
273.22128	6.3
285.22186	6.1
297.21899	4.6
301.21521	7.5
303.23196	5.6
306.27734	4.5
307.28253	32.5
315.23303	6.2
323.23685	5.0
327.23267	6.2
335.25803	6.1
338.27740	4.0
339.23410	5.3
341.24658	11.2
345.24283	8.3
351.23105	14.4
359.25671	6.5
369.24265	29.8
387.25366	23.6
387.29819	4.9
419.28348	4.0
425.26929	5.3
431.27856	6.2
443.28015	21.6
449.29044	4.6
461.28998	57.0
479.29980	61.4
479.36157	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	479.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.4
58.99876	1.9
62.85332	1.0
66.28455	1.0
67.05490	2.7
69.03417	1.6
69.07069	1.6
69.84808	1.7
69.85208	3.3
70.06597	2.3
77.00915	4.7
79.05488	2.1
81.03411	1.9
81.07055	4.0
84.08160	1.2
85.02892	1.4
89.65053	0.8
91.05484	1.5
93.07047	2.2
95.01946	1.9
95.08603	2.8
97.06531	1.1
98.20833	1.0
103.05430	1.9
105.07034	2.0
107.08603	2.1
109.06520	1.8
109.10150	1.8
111.08041	1.1
115.02443	1.0
119.08617	1.8
121.10121	1.0
128.19673	1.0
131.04955	1.2
131.08563	1.0
133.10117	1.4
141.03996	4.2
143.05539	1.4
147.04408	3.7
148.11256	3.0
153.04007	2.1
155.05504	5.4
155.08609	1.1
159.05048	2.7
161.06650	1.3
169.07074	8.1
169.10780	1.8
171.05051	2.0
173.06679	7.0
175.03923	72.8
181.07095	2.2
183.04996	1.9
185.06721	1.5
187.04604	1.5
187.08208	7.6
195.08731	8.6
197.10246	9.2
199.08202	1.4
201.06090	3.4
201.07677	3.4
203.09210	1.3
205.05562	2.5
207.12358	2.6
213.09734	10.3
215.09308	1.6
215.11334	5.3
219.07143	3.5
221.10207	9.1
223.11852	3.1
225.13380	12.6
231.10190	35.3
233.10271	6.5
239.11307	13.5
243.14467	15.4
251.11313	74.1
252.11441	1.7
257.12445	2.8
269.12372	91.0
270.12555	3.6
274.12741	4.6
287.13428	46.4
288.13657	1.1
292.14044	4.1
310.15005	1.7
403.52151	1.0
435.25742	2.3
443.03076	1.2
461.23828	19.2
461.80670	1.0
479.24927	100.0
480.25287	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1781
Annotation	nonacene
Peak:m/z	Relative Intensity
50.79451	0.3
55.01862	0.7
55.05504	0.5
58.06607	3.1
67.05508	1.7
69.03422	1.2
69.07054	0.4
70.06583	2.5
70.73774	0.9
71.04990	0.7
72.08137	0.9
73.02901	0.7
76.89612	0.3
79.05486	1.1
79.43919	0.3
81.03416	0.6
81.07060	1.7
83.04977	0.7
84.08142	0.7
85.06534	1.4
86.09708	2.2
91.05459	1.6
93.07034	1.5
95.04969	1.3
95.08595	1.1
97.61617	0.3
99.04449	0.6
101.02402	0.6
105.07025	0.9
107.04976	0.5
107.08619	0.5
109.02847	0.3
109.10131	0.4
110.07169	0.4
111.08089	0.6
117.07008	0.5
119.08589	1.1
120.08107	1.3
121.10157	1.0
125.09642	0.9
127.03973	0.5
129.10242	0.5
131.08516	0.7
132.08025	0.4
133.10126	0.7
135.09181	0.8
135.11684	0.8
136.31189	0.3
137.05994	0.5
145.10146	0.6
147.09137	0.4
147.11639	0.6
151.11137	0.7
160.08752	0.5
161.07156	0.6
163.03979	0.6
170.07162	0.3
171.07877	2.5
171.11636	0.5
172.05090	1.7
172.08696	3.7
173.09503	1.8
175.14825	0.3
182.12672	0.3
184.08745	0.4
186.06636	0.6
186.10289	0.6
187.07417	10.1
188.08185	1.1
199.07428	8.2
199.09171	0.7
200.08199	1.1
211.08432	0.5
216.07707	3.2
216.10091	4.6
229.07188	1.2
231.10194	1.3
243.08806	30.4
244.09573	100.0
245.10150	3.3
257.10370	1.4
275.14124	0.4
283.10861	0.4
317.06073	0.6
361.14944	0.5
362.13474	3.0
364.13965	0.4
378.15356	11.3
379.16150	39.5
380.16565	0.6
382.17230	2.6
389.26971	0.5
407.28296	0.8
425.29132	0.6
435.21713	0.9
461.16208	1.1
479.17578	3.0
479.32184	0.7
485.68185	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.2
53.03948	0.6
55.01869	0.4
57.03440	0.3
61.02918	0.2
63.02417	0.1
65.03957	0.2
68.99788	1.8
69.03081	0.2
69.03431	1.8
69.07063	0.6
70.41469	0.3
70.41833	0.3
71.04984	0.1
73.02900	0.2
79.05502	0.8
80.89967	0.1
81.03422	2.2
81.07050	0.1
85.02908	3.1
85.42357	0.1
87.00830	1.4
91.03968	0.1
91.05484	1.7
93.07062	0.1
97.02888	1.3
99.04443	0.5
103.04801	0.2
103.05471	3.0
105.01872	0.6
105.07037	0.2
107.04940	0.8
109.02879	2.6
117.01842	0.2
119.04945	2.8
127.03931	3.1
129.01950	0.1
129.06989	0.2
131.04921	0.3
133.02846	0.4
133.06512	0.2
145.04958	1.0
145.06477	0.3
147.04416	4.7
148.05161	0.2
157.06544	0.2
159.02904	1.1
163.03906	0.9
164.84436	0.1
165.50229	0.1
175.03911	65.7
176.04655	3.2
185.06137	0.1
185.09673	0.1
187.03903	0.8
187.11070	0.2
189.05515	0.9
189.07030	0.2
199.03844	0.3
201.05476	0.4
213.03954	0.4
213.05684	0.7
213.09081	0.2
217.05057	0.2
227.06940	0.1
229.05103	0.2
231.10165	100.0
232.10497	1.8
241.08577	0.7
243.10231	1.2
255.10213	0.4
271.09650	0.3
273.11188	0.4
281.08194	0.2
375.14334	0.2
380.23166	0.1
429.47079	0.2
479.15442	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32534	0.8
53.03933	2.1
55.01871	6.6
55.05513	7.0
58.98418	0.9
61.02922	1.0
67.05508	1.9
69.03439	4.6
69.07055	1.9
69.73918	3.7
70.06606	2.0
72.04539	1.0
72.08152	1.0
73.02942	1.3
79.05492	1.3
81.03423	5.0
81.07065	3.7
83.04987	1.1
83.08627	4.1
84.04509	9.1
84.08152	1.8
85.02906	7.2
85.06555	1.2
85.28047	0.7
87.00844	1.7
89.23992	0.7
91.05490	6.7
93.07047	2.5
95.04941	1.0
95.08635	3.1
97.02908	2.7
98.09704	1.6
98.21420	1.3
99.04456	1.8
100.07633	2.4
100.11266	18.2
105.01885	1.4
105.07040	1.9
107.08584	1.7
109.02892	4.5
109.10169	1.8
110.07220	0.9
111.04440	2.1
112.07590	1.7
117.06989	0.9
119.04935	2.8
119.08572	1.6
120.08134	1.4
125.09604	1.1
127.03944	6.2
128.07085	1.1
131.04999	0.9
131.08617	1.2
133.06493	1.3
133.10074	1.1
137.05972	1.9
140.07109	1.0
145.04984	2.2
145.10158	1.1
147.04428	15.0
147.08138	0.9
148.11230	2.5
154.12265	10.2
159.02866	1.4
161.06012	1.1
163.03917	3.3
165.09102	1.5
168.80260	0.9
169.36334	0.8
171.14914	2.0
175.03917	100.0
176.04271	2.1
182.15417	12.8
187.03928	1.9
189.05507	3.8
197.10791	1.1
199.18044	1.4
201.05396	0.9
210.14923	5.5
217.05064	1.1
225.10272	2.2
228.15968	3.0
229.08652	2.6
230.08942	1.3
231.10184	60.5
240.08861	1.0
247.61473	0.9
253.09796	1.6
271.10715	2.2
273.11157	1.4
281.09140	1.0
281.18576	7.2
291.06482	1.0
299.10278	11.4
309.21738	7.1
317.11353	18.4
339.12225	1.0
435.19962	1.7
461.15497	0.9
461.28943	0.8
461.34698	2.7
479.09451	1.0
479.18573	5.5
479.29486	1.8
479.36029	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	479.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.1
51.80490	0.1
53.03946	0.2
61.02922	0.1
65.03941	0.2
68.99791	0.1
69.03421	0.5
70.08334	0.5
72.08163	0.1
77.03957	0.1
81.03416	0.6
84.86015	0.1
85.02911	0.9
87.00856	0.3
91.05477	0.8
92.98077	0.1
93.07828	0.1
97.02919	0.4
97.21925	0.1
99.04480	0.3
103.05476	1.3
105.01868	0.2
107.08583	0.1
109.02878	0.7
117.01868	0.1
119.04984	0.3
127.03945	1.0
131.04938	2.6
131.05939	0.1
145.04965	0.3
147.04422	5.6
148.04791	0.1
159.02882	0.3
159.31360	0.1
175.03917	100.0
176.04271	1.3
185.46948	0.1
189.05495	0.7
217.05061	0.1
231.10173	45.4
232.10541	0.7
262.71021	0.1
435.16580	0.3
479.15491	3.4
480.15601	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1189
Annotation	6-Hydroxykaempferol 3-methyl ether 6-glucoside
Peak:m/z	Relative Intensity
51.06982	0.4
53.03949	0.7
55.05518	0.7
56.05046	0.7
57.03420	0.6
61.02922	0.9
65.03935	0.6
67.05495	0.8
69.03426	3.5
69.07072	0.5
69.16096	5.2
70.06596	6.5
71.04982	0.8
72.08172	3.0
73.02901	0.8
79.05497	1.1
80.64656	0.5
81.03413	2.0
81.07053	1.5
84.04507	1.1
84.08145	2.1
85.02914	7.4
85.06532	0.5
86.09713	3.2
87.00863	0.6
87.11982	0.5
91.05468	1.3
92.02643	0.8
93.03419	0.5
93.07051	0.8
95.04948	0.9
95.08607	1.2
97.02888	3.2
99.04455	1.2
101.07161	1.1
105.07024	1.7
109.02882	1.9
109.10182	0.9
115.08663	0.6
116.07098	0.7
119.08578	0.8
120.08088	1.9
121.02886	1.1
121.10155	0.6
125.09608	0.7
127.03901	1.3
129.10214	0.5
130.06459	0.5
131.04863	0.5
131.56682	0.5
132.08122	0.7
133.08879	3.7
133.09889	0.6
136.07672	0.6
137.02275	0.9
137.05949	0.9
138.09174	0.8
145.04930	1.0
148.11215	29.0
149.11522	1.3
153.01828	6.6
158.09282	1.0
159.09200	1.7
165.01799	0.7
166.08597	0.6
167.07057	0.5
173.12859	1.1
175.03897	1.4
175.11873	0.7
183.11299	1.5
200.13943	0.7
200.84911	0.6
201.12419	1.0
212.13963	0.6
217.04890	0.7
218.05751	0.6
228.04173	1.5
229.04990	2.6
231.10185	1.4
245.04510	1.6
246.05293	1.5
255.14485	0.9
257.04468	2.5
257.73843	0.5
273.03983	1.9
274.04700	3.7
279.17075	0.8
284.03281	0.6
285.04016	3.4
288.93567	0.5
302.04214	12.8
317.06577	100.0
318.06970	1.3
352.20013	0.8
407.07672	0.6
425.29266	0.6
449.44092	0.5
479.05862	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30134	9.5
57.42936	9.0
58.13102	7.9
58.86343	8.3
64.68884	7.8
71.46720	17.1
94.48016	8.5
94.93018	19.0
96.02376	11.9
122.17194	8.5
136.94061	93.3
148.94023	22.5
157.46558	10.4
166.95105	49.9
196.95265	31.3
205.60550	11.1
207.40210	8.6
207.60295	8.7
214.82042	9.5
226.46611	10.6
256.98059	22.6
260.80136	9.4
381.07953	100.0
419.03586	75.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
55.05518	12.4
57.03204	0.5
57.03438	7.0
57.07058	1.4
62.06057	0.5
67.05507	26.8
69.07069	16.8
69.84323	2.3
71.08635	0.7
79.05494	7.0
81.07058	26.8
81.98384	0.5
83.04967	0.7
83.08228	0.6
83.08624	7.0
85.06527	0.8
85.10201	0.8
91.05475	4.5
93.07047	7.5
95.08607	20.3
97.06533	1.9
97.10148	3.2
98.06054	1.6
98.98428	0.7
105.07027	3.2
107.08598	4.0
109.10151	6.7
111.11706	0.9
119.08581	2.6
121.10135	3.2
123.11691	2.3
133.10170	2.8
135.11674	1.5
137.13254	1.0
147.11655	1.2
161.13258	1.1
163.14793	1.0
175.14832	0.9
182.93309	0.7
189.03894	0.5
205.16040	0.6
263.23730	1.2
306.27914	11.7
337.27368	100.0
338.27725	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	478.2931
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
55.05521	9.5
57.03421	4.2
57.07070	2.4
57.33247	0.9
62.06091	31.4
65.03882	1.2
67.05509	27.8
69.07072	14.2
69.89484	5.3
79.05507	9.1
81.07053	29.8
83.08614	6.7
85.80630	1.1
91.05500	5.3
93.07050	10.4
95.08614	22.1
97.06518	1.7
97.10156	3.2
98.06062	3.8
98.98461	10.2
99.13483	1.0
105.07023	2.8
107.08573	4.7
109.10165	7.8
111.11716	1.3
111.79288	1.0
119.08566	3.4
121.10189	4.9
123.11697	3.6
124.01591	2.5
133.10144	3.7
135.11668	3.4
142.02631	1.6
147.11665	1.7
149.13223	1.6
151.14832	1.1
155.01039	5.6
161.13243	1.5
163.14908	1.1
173.02101	2.1
175.14856	1.5
177.16354	1.1
198.05316	2.2
216.06369	3.7
245.22647	2.4
263.23688	5.8
306.27927	34.2
307.28088	1.1
317.89093	1.0
337.27377	100.0
338.27750	1.6
417.23953	1.7
454.21292	1.1
460.28146	3.8
478.29239	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2931
Annotation	LysoPE(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
55.01870	1.3
55.05519	5.9
57.03421	1.0
62.06078	3.1
67.05504	7.9
67.08412	0.8
67.89957	0.7
69.07069	5.1
70.10344	1.5
70.10715	3.2
79.05493	2.4
81.07055	7.7
83.08602	2.7
85.05285	2.1
86.06020	0.9
91.05473	2.5
93.07040	1.6
95.08625	5.8
97.10139	1.4
98.06059	8.8
98.98460	3.6
105.07024	1.7
107.08595	1.1
109.10139	2.4
112.07587	1.5
119.08545	1.1
121.10111	0.9
131.08643	0.9
133.10185	1.1
140.10699	1.0
148.05548	0.8
208.16820	0.8
226.40852	0.8
306.27927	100.0
307.28183	1.7
337.27359	7.5
352.36237	0.8
405.15643	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31308	0.2
53.03934	0.8
55.01860	0.6
55.05499	0.6
57.03420	0.5
67.05488	0.7
68.99782	0.9
69.03435	1.8
69.07057	0.3
70.06578	0.3
71.01345	0.2
71.04991	0.2
71.07220	0.4
72.08147	0.2
73.02921	0.3
74.45683	0.2
79.05486	0.4
81.03425	1.7
81.07052	0.8
83.04964	0.6
83.08592	0.4
84.08129	0.2
85.02906	3.0
85.06536	0.2
86.09668	0.2
87.00838	1.3
91.05476	1.1
93.07056	0.6
95.04955	0.4
95.08601	0.7
97.02909	1.3
97.06564	0.2
99.04442	0.7
103.05460	0.2
105.01851	0.8
105.07021	0.8
107.04945	0.4
107.08572	0.5
109.02887	2.1
109.10131	0.8
115.03893	0.2
115.05439	0.9
117.07001	0.7
119.04918	0.3
119.08600	0.4
120.08104	0.3
121.06519	0.4
123.11768	0.3
125.09625	0.7
127.03928	2.6
128.06224	0.4
129.01857	0.3
129.07013	1.2
130.07764	0.3
131.04927	2.2
131.08574	0.6
133.06483	0.4
133.10136	0.5
135.11711	0.3
137.06017	0.2
141.06990	0.5
142.07758	0.7
143.04965	0.3
143.08578	0.5
144.05731	0.4
145.04948	0.6
145.06459	0.8
145.10129	1.4
147.04385	0.8
147.11679	0.2
149.13303	0.2
152.06204	0.9
153.06999	0.6
153.12793	0.2
155.08568	2.5
157.06482	0.3
157.10179	0.3
158.07281	1.5
159.02902	0.7
159.04413	1.9
159.08066	0.7
161.05930	0.2
161.09654	1.7
163.03896	0.2
165.07004	0.7
167.08562	0.8
167.14333	0.3
168.05704	0.3
169.06438	0.5
169.12233	0.3
170.07275	0.6
171.04436	0.3
171.08003	0.5
172.05165	0.5
173.05983	1.0
173.09645	1.6
175.03908	2.7
175.14793	0.2
176.04675	0.2
183.08047	1.8
185.05972	1.7
185.09589	0.6
186.06808	1.5
187.03899	2.9
187.07587	1.1
189.05452	0.2
197.05971	1.0
199.03909	0.7
199.07526	0.4
200.04718	0.7
201.05463	1.5
201.07108	0.2
201.07462	0.2
201.09145	2.2
211.07558	4.4
211.16922	0.9
213.03487	0.4
213.05482	9.0
214.06252	8.5
215.07021	1.1
227.07060	0.7
229.08601	100.0
229.17795	1.3
230.08972	1.7
231.04938	0.5
241.08603	1.3
271.09668	0.2
315.05026	0.3
477.07999	0.3
477.13885	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.6
55.01854	1.1
55.05492	1.4
57.03452	0.7
62.79121	0.4
65.03907	0.6
67.05515	2.7
69.03429	3.1
69.07057	1.6
69.79076	0.4
70.00470	1.1
70.00861	0.8
70.06583	2.0
70.55617	0.4
71.04997	1.4
71.52079	0.4
72.08150	1.2
73.33133	0.4
75.44144	0.4
77.39028	0.4
79.05485	1.0
81.03417	2.8
81.07058	4.3
83.04972	1.0
84.08125	1.1
85.02903	2.6
85.06536	0.8
86.09701	1.7
87.00841	0.7
87.04475	0.5
91.05498	4.6
93.07032	2.3
95.04945	1.1
95.08624	2.8
97.02896	1.5
97.06507	1.3
99.04438	0.9
103.05469	0.5
105.01860	0.6
105.07038	2.4
107.04942	0.8
107.08604	2.5
109.02874	1.8
109.06518	1.3
109.10172	2.0
111.04461	0.6
111.08077	1.3
115.05505	0.9
117.07014	1.2
119.04915	0.7
119.08573	2.5
120.08112	1.2
120.08887	0.6
121.02872	1.9
121.06495	0.8
121.10145	1.6
123.08043	1.0
123.11733	0.7
123.20129	0.4
125.09638	3.0
127.03896	1.8
128.06227	0.7
129.07031	1.2
129.67877	0.5
131.04935	5.2
131.08566	1.3
133.10135	1.3
135.08076	1.3
137.05974	0.9
142.07777	0.6
143.04948	0.5
143.08479	0.5
145.06540	1.1
145.10126	1.1
147.04405	5.1
147.08046	0.5
147.11693	0.9
149.09607	0.6
153.06984	0.6
155.08524	1.8
157.10095	0.8
159.03076	1.0
159.04425	13.0
159.08000	0.6
159.11641	0.6
161.05965	0.5
161.13272	0.5
163.03882	1.0
163.07516	0.8
165.07004	0.7
165.09113	0.9
173.06032	3.6
173.09641	0.7
175.03915	35.3
175.11168	0.8
175.14879	0.6
183.07935	0.9
185.05963	0.5
187.02243	1.0
187.03918	17.7
187.07504	4.5
189.05435	1.5
191.03268	0.7
191.10645	0.5
201.05492	5.4
201.09132	1.9
211.07458	1.4
211.16924	0.8
213.05516	1.1
214.06163	1.0
227.07063	1.0
229.08607	100.0
230.08942	1.7
231.10225	0.9
241.08588	0.8
251.06920	0.7
269.08209	0.8
295.09525	0.5
297.07501	0.5
315.05017	1.2
319.09546	1.3
337.10745	1.3
361.07117	0.6
389.06320	0.8
418.06677	1.3
477.08484	3.0
477.14276	0.7
477.34250	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
55.01860	0.9
55.05503	1.0
57.03435	0.3
67.05501	1.5
68.99785	1.3
69.03436	2.1
69.07046	0.5
69.78186	0.9
69.78588	0.6
70.06597	0.5
71.01350	0.3
71.04996	0.3
72.08125	0.3
73.02900	0.3
79.05478	1.3
81.03429	1.9
81.07050	1.8
83.05002	0.4
83.08597	0.6
84.08157	0.3
85.02916	3.2
85.06544	0.5
86.09692	0.7
87.00822	1.0
91.05481	1.6
93.07023	1.4
95.04968	0.6
95.08591	1.6
97.02877	1.1
97.06550	0.4
97.10162	0.5
99.04430	0.6
103.05465	0.4
105.01806	0.4
105.07035	1.7
107.04977	0.6
107.08608	1.3
109.02877	1.3
109.06510	0.8
109.10124	1.0
111.08085	0.4
115.05479	0.9
117.07012	0.9
119.04924	0.5
119.08585	0.7
120.08080	0.5
121.06461	0.4
121.10116	0.6
123.04434	0.5
123.08104	0.5
123.11730	0.9
125.09610	0.9
127.03901	2.2
128.06247	0.7
129.07011	0.7
129.10213	0.3
129.27898	0.3
130.07767	0.3
131.04955	2.3
131.08531	1.0
133.06496	1.0
133.10162	0.8
135.08031	0.3
135.11734	0.5
137.05986	0.4
139.07639	0.3
141.06923	0.3
142.07742	0.7
143.04906	0.4
143.08522	0.6
145.04958	0.6
145.06508	0.9
145.10112	2.0
147.04384	1.4
147.08015	0.6
147.11700	0.5
149.09712	0.4
151.11156	0.4
152.06212	0.5
153.07051	0.5
153.09167	0.3
155.08588	1.9
157.06473	0.4
157.10112	0.5
158.07263	1.1
159.02994	0.6
159.04414	3.4
159.08052	1.1
159.11760	0.4
161.09630	2.8
165.07025	1.0
165.09131	0.6
167.08510	0.3
169.06459	0.7
169.12216	0.4
170.07217	0.5
171.07948	0.5
173.06013	1.3
173.09608	1.5
173.13286	0.3
175.03922	4.9
175.14749	0.4
176.04382	0.3
183.08067	1.4
185.06006	1.4
185.09656	0.4
186.06735	1.5
187.03917	5.4
187.07542	1.3
197.05893	0.8
199.03955	0.8
199.07590	0.3
200.04660	0.7
201.05487	2.8
201.09079	2.7
211.07585	3.6
213.05522	5.9
214.06256	7.8
215.06952	0.3
216.15039	0.3
227.07021	0.8
229.08614	100.0
230.08969	1.3
241.08650	0.4
315.05219	0.3
367.23026	0.4
385.23889	0.4
441.25916	0.6
459.27649	0.3
477.28488	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.3
55.05504	7.1
55.79708	2.6
57.03440	4.9
62.06096	43.2
67.05509	30.5
69.07075	12.1
70.74073	6.9
79.05498	17.7
81.07062	23.8
83.08640	3.5
91.05494	8.3
93.07044	21.7
95.08610	17.8
97.71516	2.4
98.98464	8.4
105.07035	6.9
107.08617	8.4
109.10156	8.4
117.06976	2.5
118.86856	2.4
119.08556	3.2
121.10149	8.1
124.01579	4.1
129.77477	2.4
131.08536	3.3
133.10156	4.5
142.02734	2.7
147.11723	4.4
149.13152	2.8
155.01093	3.9
161.13210	4.2
173.02090	2.7
198.05283	3.7
261.22290	7.0
304.26221	12.3
309.30331	2.3
317.24487	3.1
335.25821	100.0
335.29871	4.9
336.26132	5.1
388.32770	2.9
458.26715	2.6
470.82730	2.8
476.27963	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	477.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95755	0.4
53.03938	0.5
55.01883	2.3
55.05474	0.8
55.81622	0.5
56.05016	0.4
57.03425	0.6
60.04527	0.4
61.02935	2.9
63.64022	0.5
64.23138	0.4
67.05459	0.6
68.99776	1.6
69.03409	1.0
69.07050	0.6
69.17815	0.8
69.18222	3.9
70.06593	7.8
72.08161	3.1
73.09885	0.5
79.05451	0.5
79.27878	0.5
81.03391	1.6
84.04499	1.0
84.08172	2.2
85.02909	2.7
86.09711	3.7
87.00817	0.6
91.05457	1.1
93.03385	0.7
93.07020	0.6
95.04954	1.1
95.88297	0.6
97.02872	1.1
98.21487	0.8
103.05447	0.6
105.06996	0.9
107.04891	0.5
107.08598	0.4
109.02859	1.8
120.08071	0.8
121.02863	1.8
123.00764	1.2
123.04444	3.6
124.01543	0.7
127.03910	1.1
129.10222	0.9
131.04846	0.6
131.08589	0.5
135.04407	0.9
136.07527	1.4
137.02353	27.5
137.03413	2.7
141.01807	2.2
147.04387	1.1
149.02332	1.3
153.01875	1.2
159.56384	0.5
161.02423	1.0
161.05949	1.5
163.00273	2.2
163.03911	4.6
165.01843	4.0
171.04349	0.9
173.05923	0.6
175.03914	0.6
177.01871	1.1
178.99701	1.3
179.03308	0.9
181.01299	1.6
183.02888	1.5
183.04382	1.3
183.14940	0.4
185.05939	0.8
187.03882	2.0
189.01816	1.8
189.05464	0.6
190.99744	1.5
191.03333	1.2
193.01337	1.9
194.08936	0.5
197.00839	1.1
197.05971	0.5
199.03983	1.1
201.05495	1.5
203.03380	2.8
205.01270	0.8
206.99098	0.6
207.02850	1.0
209.00848	1.2
211.03964	3.0
211.13274	0.8
213.05472	1.7
215.03360	1.5
217.01230	1.1
217.04774	0.7
219.02855	1.0
221.00780	1.9
225.05540	0.6
227.03368	1.5
228.04176	0.9
229.04930	2.2
231.02888	1.1
235.02324	0.9
239.03560	2.9
241.04971	2.3
255.02942	1.1
255.06509	1.2
257.04489	3.7
259.02484	0.7
259.05908	1.1
261.03928	0.6
267.02930	1.6
269.04456	2.4
273.03946	1.2
274.04724	4.7
275.05466	0.7
281.04434	0.7
283.02365	1.8
285.03934	10.4
287.05508	1.1
295.02527	0.6
297.04004	2.6
299.05502	0.8
301.03448	1.0
302.04257	6.6
303.05020	8.9
305.02954	1.1
311.01898	1.2
313.03537	5.0
313.06775	0.9
315.04996	66.0
316.05469	0.7
317.02969	1.5
318.03769	0.5
325.03510	1.7
327.05191	2.7
329.02957	14.5
329.06610	1.3
331.04483	2.0
339.01358	0.8
339.05008	0.9
341.02908	18.1
341.06641	4.1
342.03629	1.8
343.04498	18.4
345.06091	0.7
347.03934	6.1
355.04538	1.8
357.02405	13.0
357.06616	0.9
358.03217	8.6
359.03964	8.5
367.04620	1.1
369.02319	23.4
369.06204	2.8
371.04004	27.0
379.04269	0.6
383.04095	0.8
385.05585	1.9
387.03632	2.5
397.05557	3.4
399.03421	1.2
413.05133	1.6
415.06638	2.0
431.06125	19.7
432.06583	0.7
441.04449	1.2
449.07141	0.7
459.05640	29.1
460.06241	0.9
477.06677	100.0
478.07159	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	476.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.2
55.05270	0.8
55.05515	7.9
57.03442	6.4
57.07097	0.9
61.49885	0.5
65.03936	1.4
67.05508	33.3
69.07078	8.1
70.08936	2.4
71.04989	1.4
71.32600	0.6
72.08086	0.6
74.41677	0.6
79.05496	16.7
81.07063	23.8
83.08621	1.9
85.06559	0.8
91.05493	7.5
93.06486	1.1
93.07050	15.1
95.04961	0.6
95.08614	19.3
97.06523	1.9
97.10178	1.1
98.06065	1.6
98.98433	0.7
105.07043	4.9
106.06487	0.6
107.08601	7.2
109.10162	6.6
116.56410	0.5
117.07029	1.9
119.08604	3.7
121.10150	6.1
123.11706	2.0
131.08569	1.7
133.10129	2.3
135.11716	2.9
137.13197	0.8
145.10136	1.9
147.11722	0.9
149.13261	1.3
149.97523	0.5
159.11694	0.6
161.13269	1.1
173.13277	1.4
216.06393	0.6
238.69417	0.5
258.01813	0.7
261.22034	1.2
304.26337	10.6
309.94849	0.5
335.25815	100.0
336.26169	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	476.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.4
56.05022	0.5
60.04523	0.4
61.02937	0.5
69.03419	1.1
69.52049	0.7
69.52454	1.9
70.06597	2.9
71.01340	0.4
71.04984	0.4
72.08135	1.5
74.06065	0.4
79.05481	0.8
81.03410	1.1
84.04493	0.7
84.08131	1.2
85.02908	4.7
86.06061	0.5
86.09709	3.5
86.94916	0.4
89.03915	4.7
89.92229	0.4
91.03970	0.7
91.05479	0.4
97.02898	1.8
107.04955	2.1
109.02852	0.4
110.07163	0.5
116.07079	0.8
117.03374	5.7
127.03957	0.8
134.04633	0.4
135.04419	21.4
136.04797	0.4
136.07573	0.4
139.03938	0.6
145.02846	10.1
145.04803	0.7
147.04390	0.6
163.03908	100.0
164.04245	1.1
164.07095	0.4
181.05017	0.9
182.04944	8.2
185.29845	0.4
193.08530	0.5
249.15685	3.0
250.16136	1.3
275.82764	0.3
297.06100	0.7
314.09247	0.6
315.05261	0.4
407.25027	0.4
476.26331	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.01872	1.2
55.05516	1.7
61.62844	0.6
67.05515	1.0
69.03420	2.8
69.07071	6.8
70.06584	1.5
71.08358	1.3
71.86330	0.6
73.02894	0.9
73.96186	0.9
79.05494	0.9
81.03429	3.6
81.07059	1.3
83.08595	1.6
85.02905	8.2
87.00829	4.5
87.63428	0.7
91.05478	2.7
93.07070	1.8
95.08630	4.7
97.02926	3.9
99.04446	1.6
105.01876	3.2
105.07034	7.1
107.08584	2.8
109.02879	2.9
109.10162	2.2
119.08585	28.1
121.10154	2.0
127.03923	6.7
133.10139	26.3
135.11682	1.5
145.05011	3.5
145.10139	2.0
147.11693	4.3
159.02887	1.9
160.12517	1.5
173.13278	1.6
175.14839	100.0
176.15179	2.4
177.16373	2.1
193.15869	4.2
235.17079	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.5
54.81392	1.7
55.01868	4.6
55.05519	9.5
57.03445	18.3
57.07084	44.9
61.02934	55.2
67.05508	18.4
68.21741	1.6
68.66846	1.6
69.03435	22.9
69.07074	10.1
71.01338	2.2
71.05002	3.6
71.08638	32.0
71.49258	2.3
73.02921	29.4
76.04356	2.0
79.05484	2.3
81.03436	16.8
81.07076	22.1
83.04941	2.7
83.08644	10.7
85.02911	46.5
85.10187	18.4
87.04462	4.6
91.03420	2.5
91.03965	32.5
91.05463	2.3
95.08620	31.2
97.02303	3.2
97.02899	48.6
97.10180	8.8
99.04475	8.5
99.11733	2.4
101.02415	12.0
103.03967	7.9
109.02879	10.8
109.10168	12.6
110.15947	1.8
111.11748	2.7
115.03940	4.5
117.05494	2.2
119.08615	1.9
120.89125	1.6
123.11731	8.2
127.03947	20.6
129.05489	3.1
137.13274	2.7
145.04985	7.8
159.06564	2.1
183.06529	5.2
201.07635	4.3
221.22716	2.5
239.23706	30.6
257.24738	3.9
313.27386	100.0
314.27774	4.0
341.26859	4.0
364.06580	2.0
457.31570	3.7
475.32629	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	475.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.5
55.01870	3.5
55.05499	4.3
57.03433	6.6
60.02580	2.7
61.02936	5.8
67.05499	12.3
69.03438	25.4
69.07072	8.2
70.06583	4.5
70.17168	12.7
71.05002	34.3
71.09194	2.6
73.02921	2.9
79.05495	7.2
81.03429	23.4
81.07059	13.6
83.04993	5.9
83.08648	6.1
85.02920	32.7
85.06544	12.0
85.68520	2.8
86.09711	14.2
87.00816	15.6
91.05494	3.8
93.07050	12.8
95.04980	4.1
95.08627	17.7
97.02893	18.1
97.06571	3.1
99.04461	95.7
105.01847	8.2
105.07020	13.2
107.08588	27.2
109.02897	18.4
109.06523	7.1
109.10179	10.2
111.08083	3.5
113.09647	6.4
115.05460	3.4
119.08571	4.9
120.19331	2.9
121.02902	6.1
121.10147	18.1
123.08070	16.1
123.11701	10.0
125.09641	10.3
127.03923	27.3
127.23051	2.7
131.08560	5.6
133.10143	16.6
135.08044	7.3
137.09612	3.8
139.11183	5.1
145.04922	9.0
147.11696	9.5
149.09605	9.9
149.13269	13.1
151.11165	13.0
153.09090	5.9
159.02908	7.9
163.14850	4.9
165.01805	5.0
165.12741	4.1
167.10690	3.9
169.12244	7.5
173.13286	12.1
183.13840	32.5
187.03937	12.3
191.14304	17.7
209.15392	42.0
227.16440	100.0
263.14310	4.1
264.36789	3.1
283.06052	25.2
284.06744	12.5
295.06073	14.5
297.07742	5.0
313.07004	15.7
323.09109	4.5
325.76859	2.9
337.07089	11.1
379.08163	6.7
439.10199	9.6
457.11160	12.1
475.12155	6.8
475.32584	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	475.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03968	4.7
53.43968	3.3
55.01875	4.5
55.05520	7.0
57.03445	6.2
58.74236	4.4
67.05495	8.4
68.85709	3.4
68.99768	3.5
69.03462	19.6
69.28497	30.3
70.06593	15.6
71.04980	11.9
71.63220	4.0
72.08160	4.9
79.05488	13.2
81.03429	6.6
81.07047	13.9
83.04992	7.2
84.08153	6.0
85.02898	21.1
85.06576	4.1
86.09698	12.2
91.05503	18.8
93.07048	16.3
95.04971	4.3
95.08591	9.1
97.06567	5.2
98.20800	7.5
99.04461	27.1
103.05447	5.5
105.07034	100.0
107.08607	16.5
109.02869	6.0
109.06503	6.3
109.10181	4.4
117.07006	5.0
119.08601	20.1
120.08101	5.8
121.06560	6.8
121.10189	9.7
123.08049	7.9
125.09634	9.2
127.03920	14.7
129.96288	3.8
131.08623	5.6
133.06505	9.7
133.10144	86.4
137.06000	6.3
137.09599	7.8
141.01860	5.4
143.07065	16.9
143.08592	6.2
144.85199	3.8
145.05013	5.6
145.10153	6.5
147.11699	7.7
149.13327	5.0
151.07506	10.5
151.11247	5.7
161.09642	77.4
163.11264	9.7
173.08107	12.6
173.13280	8.2
179.10725	9.6
189.09079	35.5
191.14423	6.6
207.10126	5.4
207.13785	5.4
209.15384	15.1
227.16408	15.3
231.05089	4.4
253.14293	20.4
263.12881	13.6
281.13846	50.3
295.05908	4.5
313.07327	5.6
328.05432	4.4
354.10812	6.3
365.12131	5.6
474.81473	9.4
475.32657	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	475.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	9.4
55.24950	4.0
57.03430	7.3
57.07081	4.2
65.76204	4.1
67.05505	10.3
69.03436	15.6
69.07059	8.9
70.31833	4.2
70.85940	10.3
79.05494	11.1
81.03410	8.5
81.07061	23.3
83.04994	13.3
85.02921	23.0
85.06524	8.3
87.00845	11.8
88.20754	4.1
91.05474	11.4
93.07059	27.6
95.04986	7.9
95.08633	23.6
97.06513	4.0
97.10159	3.9
97.36539	4.0
99.04453	6.0
99.08102	17.9
100.56401	4.2
105.01863	5.5
105.07009	12.2
107.08618	50.4
109.02911	5.5
109.06515	14.5
109.10139	20.6
111.08052	4.6
119.08610	9.7
121.06512	26.9
121.10152	36.9
123.08058	21.4
123.11700	4.5
125.09662	8.9
127.03905	13.5
129.95181	4.5
131.08594	14.9
133.10156	31.0
135.08057	21.9
137.09628	9.0
145.10104	5.4
147.11760	8.7
149.09634	75.3
149.13307	23.4
151.11237	22.4
153.09160	5.1
158.10974	4.6
163.14864	27.9
173.13268	26.2
191.14328	77.3
204.00525	4.1
209.15385	100.0
315.61447	4.2
416.98474	5.7
475.32486	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	475.1758
Annotation	Neocalyxin A
Peak:m/z	Relative Intensity
55.05502	1.1
59.51623	0.9
61.43342	0.9
66.70306	1.0
67.05499	1.8
69.07057	1.2
71.48640	1.4
79.05476	1.5
81.07045	1.7
84.08134	0.9
86.09709	1.2
91.05487	1.7
93.07030	3.3
95.04949	1.0
95.08573	1.5
100.11242	1.9
103.05418	1.0
105.03440	2.4
105.07047	1.3
107.08564	2.6
109.33239	1.0
115.05470	1.0
116.58902	0.9
117.07071	0.9
131.04958	11.4
133.02852	2.7
133.10130	0.9
145.06458	1.3
147.42491	1.0
159.04428	7.3
168.62329	0.9
173.02409	1.2
173.06027	1.1
175.03911	2.2
179.08525	1.4
185.06059	1.0
187.03923	42.9
189.01784	1.3
191.08505	5.6
199.07539	1.0
201.05449	4.3
203.08545	1.6
213.05464	1.5
214.06319	1.5
215.07057	2.3
218.07269	0.9
219.08125	6.9
226.06265	1.8
227.06972	8.6
231.08081	2.0
231.10193	1.2
243.10237	1.8
247.07585	9.4
259.07562	1.1
263.07129	1.2
274.06372	1.3
275.07010	10.1
287.07062	1.2
303.06573	14.5
319.06097	1.7
331.06027	34.5
332.06491	1.4
347.05615	6.5
359.05521	57.9
361.07236	1.1
376.26007	1.1
400.35760	0.9
401.10214	100.0
402.10416	3.2
403.11960	1.2
415.11700	6.9
457.16357	4.5
475.17316	3.5
475.32193	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02633	0.4
53.03950	0.5
54.54293	0.4
55.01867	0.7
55.05497	0.6
57.03418	0.5
57.07094	0.4
61.02934	0.7
65.03949	7.3
65.75910	0.5
67.05500	2.2
68.99799	1.2
69.03432	1.9
69.07056	1.0
70.06584	1.4
70.50826	0.4
70.51141	0.8
71.50822	0.4
72.08167	0.4
79.05497	1.1
81.03406	1.2
81.07053	1.8
84.08154	0.6
85.02901	2.7
85.06562	0.6
86.09715	1.0
87.00834	1.4
91.05487	100.0
92.05832	1.0
93.03407	3.3
93.07047	1.1
95.04975	1.4
95.08612	2.0
97.02904	2.3
97.06567	0.8
99.04476	0.4
103.03944	0.7
103.05473	0.8
105.07053	4.6
107.04972	0.8
107.08588	1.6
109.02897	0.9
109.06523	0.6
109.10162	2.4
111.04557	0.5
111.08108	0.5
112.98132	0.4
115.05472	1.1
119.04980	0.9
119.08573	0.8
121.06518	0.5
121.10139	1.0
123.08067	1.0
123.11690	0.6
125.09666	1.3
125.37085	0.5
127.03931	0.8
128.06258	0.4
129.01801	1.2
129.07014	0.5
131.04941	1.0
131.08601	0.6
133.06540	0.5
135.04391	0.6
135.08002	0.4
135.11769	0.6
137.09621	3.1
143.04955	0.6
145.10124	0.7
147.04408	1.2
149.02402	1.5
149.09607	0.8
153.09163	0.4
155.04938	0.7
155.08627	0.5
159.02884	0.5
159.04478	0.5
161.02362	1.6
161.06030	1.8
163.03989	0.6
163.07649	0.5
165.05498	0.4
165.07066	0.5
165.09100	2.7
166.09541	0.6
167.03406	2.2
169.06476	0.6
171.08022	1.0
173.02406	1.5
175.03964	1.3
175.07619	1.0
178.07745	0.6
179.03438	2.3
184.05266	0.5
186.03178	0.8
187.04022	0.8
189.04001	0.6
189.05486	0.6
191.03418	4.6
197.04367	0.8
197.06039	1.1
199.07573	0.7
201.05518	0.9
203.03394	3.6
205.04959	0.8
209.15405	0.5
209.19041	0.6
215.03409	3.2
217.05016	0.7
219.06456	0.5
221.09576	1.1
227.03587	0.9
227.07034	11.5
227.20164	0.5
233.04443	5.1
239.07034	4.3
245.04442	1.9
251.07109	1.6
257.04422	2.3
257.08130	4.6
265.08630	1.7
267.06424	0.5
269.08179	1.8
275.05426	1.0
275.09241	1.3
279.10236	1.8
281.08218	1.0
289.08655	0.6
293.08099	16.8
294.08466	0.6
305.08063	0.5
307.09778	1.2
311.09180	6.9
317.08029	2.2
323.09183	3.7
335.09152	20.6
353.10168	6.8
361.05450	0.6
363.16821	0.4
371.11285	0.5
403.08127	0.5
409.09296	0.8
421.09335	1.7
439.10123	5.9
457.11331	2.2
457.17041	0.5
475.32916	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29390	1.1
53.03945	2.2
53.67949	1.1
54.41518	1.0
55.01870	3.0
55.05510	1.2
56.72892	1.1
57.03429	1.7
57.07068	2.3
59.05044	1.0
61.02905	1.2
61.13917	1.1
67.05516	6.1
67.79911	1.2
68.68527	1.2
69.03431	7.2
69.07063	2.6
70.06597	1.3
71.05003	6.0
71.38387	1.0
72.08158	1.6
79.05496	4.0
81.03419	4.5
81.07052	5.0
82.34380	1.0
83.05009	1.2
84.08144	1.2
85.02514	1.1
85.02914	12.7
85.06515	2.4
87.00832	6.4
91.05476	5.6
91.90517	1.0
93.07039	5.8
95.04964	5.0
95.08615	5.4
97.02897	4.3
97.06529	2.4
99.04454	2.0
105.01880	3.7
105.07034	12.9
107.08607	10.2
109.02883	4.3
109.06524	83.5
109.10166	21.2
109.10913	0.8
111.08073	1.8
117.06986	2.4
119.08568	6.8
121.06499	1.2
121.10148	5.6
123.08064	10.4
127.03922	7.4
131.08582	19.1
133.10143	35.1
135.08064	36.6
143.08507	1.5
145.04942	2.9
145.10115	4.6
147.11710	4.1
149.09607	3.4
149.13210	2.4
153.09151	3.8
158.10902	3.5
159.02881	2.3
163.11215	1.4
173.13274	34.0
173.84912	1.1
175.14963	1.4
191.14320	100.0
192.14606	2.4
209.15388	63.8
231.04851	1.4
232.18016	1.0
242.24350	1.2
323.12366	1.9
334.07605	1.2
374.11099	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.18
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71525	0.5
53.03922	1.7
55.01864	0.8
55.05492	0.9
57.03409	1.5
61.02919	1.0
67.05492	0.7
68.99768	0.8
69.03100	0.6
69.03436	8.8
69.07068	2.4
69.14523	3.3
69.53503	0.3
70.06586	1.0
70.20049	0.4
71.04971	0.9
72.08144	0.6
73.02885	1.8
79.05475	1.2
81.03012	0.5
81.03420	6.6
81.07037	1.7
83.04964	0.5
83.08579	0.4
84.04492	0.5
84.08112	1.0
85.02438	0.6
85.02911	7.3
85.06519	0.7
86.09685	0.9
87.00833	4.2
87.08100	2.6
88.40935	0.5
91.05462	1.2
93.07022	1.1
95.08616	1.2
96.08929	0.5
97.02902	3.5
99.04456	3.0
99.90647	0.4
100.95372	0.4
105.01877	2.0
105.07017	1.1
107.08565	1.4
108.08115	0.9
109.02876	5.2
109.06504	1.5
109.10130	0.8
119.08611	0.7
120.08064	0.5
121.10114	1.0
123.04372	0.8
125.09658	0.5
127.03928	5.9
129.01814	0.6
131.08531	0.8
133.10115	0.8
135.08035	0.7
139.04480	1.9
145.04955	1.6
147.02893	0.4
148.11179	1.8
159.02878	1.8
164.05293	8.8
165.04790	0.6
165.06081	8.1
166.06795	1.9
173.13202	0.5
182.10001	12.6
185.97385	0.4
187.06071	0.4
191.14244	0.8
208.11562	39.5
209.11871	0.9
209.15335	0.8
226.12610	100.0
227.12907	2.1
231.05061	0.8
430.18918	2.7
474.17957	16.0
475.18301	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.363
Annotation	Corosolic acid
Peak:m/z	Relative Intensity
55.05511	27.4
57.03441	14.3
57.07053	20.2
61.02926	15.1
61.74122	12.1
65.87809	13.5
66.02714	12.9
67.05500	35.7
69.07064	35.2
71.04990	12.0
79.05492	17.0
81.07051	58.9
83.08611	27.2
85.02894	18.8
91.03967	24.4
93.07066	32.2
95.08614	70.5
97.02922	13.0
98.20760	53.0
105.07049	45.0
107.08597	78.4
109.10155	52.9
117.18019	12.8
119.08575	63.9
121.10143	59.0
123.11711	17.9
124.34805	12.1
129.45755	12.2
131.08514	18.6
133.10146	47.2
135.11748	28.2
145.10077	20.8
147.11700	27.9
149.13301	19.5
159.11688	23.1
161.13284	19.6
163.11215	19.5
173.13313	13.6
175.14845	28.6
177.16435	42.6
187.14771	25.5
189.16336	74.9
203.17935	52.0
205.15906	100.0
207.17355	39.0
262.34567	14.3
267.43201	13.5
279.39240	12.8
311.25815	20.1
391.33096	14.6
409.34787	42.0
455.34998	22.9
473.37164	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3631
Annotation	Corosolic acid
Peak:m/z	Relative Intensity
53.03950	5.8
53.25011	4.8
55.05511	10.5
57.07072	5.3
62.45640	5.7
67.05501	21.1
69.07064	18.7
69.25929	10.1
69.26328	45.4
79.05488	16.4
81.07051	36.1
83.08612	17.1
85.02904	8.2
86.09717	6.4
89.64054	6.4
91.05465	12.6
93.07041	24.3
95.08611	59.1
97.10169	6.6
101.01795	5.9
105.07024	22.4
107.08593	43.5
109.10175	32.5
111.08215	6.0
119.08590	39.5
119.59850	5.4
121.10149	35.5
123.11707	10.1
131.08563	5.1
133.10110	39.6
135.11719	27.7
145.10149	17.2
147.11679	23.8
149.13272	21.6
159.11707	10.4
161.13297	20.1
163.11156	7.3
163.14824	19.4
173.13280	11.2
175.14864	27.4
177.16397	37.2
187.14868	25.6
189.16431	35.7
191.17996	23.8
201.16374	19.2
203.17982	100.0
205.15887	42.1
205.19592	13.9
207.17424	13.0
215.17892	6.2
223.16806	7.0
249.18517	12.4
275.43893	7.0
280.52310	5.9
311.25809	6.7
339.71759	6.5
391.33417	11.4
409.34659	82.9
411.36343	8.5
437.34140	12.3
444.02933	6.5
455.35446	6.8
473.32211	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	473.363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.8
55.05519	10.0
57.07079	4.8
67.05515	17.1
69.07074	14.0
71.05002	6.2
71.13300	4.7
79.05506	15.5
81.07068	34.6
83.08627	8.6
85.06551	4.3
91.05486	17.2
93.07043	34.0
94.07841	1.9
95.04942	2.7
95.08616	53.8
97.06560	6.0
97.10192	3.7
99.08093	7.2
99.84536	2.4
105.07042	45.4
107.08606	48.1
109.10156	37.5
111.08060	4.1
115.07584	9.7
117.07029	5.8
119.08593	59.9
121.10162	42.2
123.08107	2.2
123.11742	17.6
125.09669	4.9
129.07098	3.3
131.08597	16.7
133.10147	73.2
134.98213	6.4
135.11703	31.4
137.09673	2.3
137.13278	9.4
139.11235	4.8
143.08606	5.1
145.10123	40.9
147.11696	79.9
148.04080	2.4
149.13251	17.3
157.10173	8.5
159.11719	28.5
160.12479	2.7
161.13281	26.4
161.14508	3.3
163.14832	11.7
165.12827	2.4
169.10161	3.9
171.11697	8.9
173.13300	23.9
175.14822	24.4
177.16444	5.5
185.13385	5.2
187.14838	34.0
189.12759	16.8
189.16405	46.9
191.14313	4.1
191.17955	28.8
197.13280	2.6
199.14825	5.8
201.16396	20.7
203.14438	2.6
203.17955	42.9
205.15930	15.9
205.62111	2.2
209.15388	3.5
209.17459	2.0
211.14766	3.9
213.16417	5.7
215.17932	20.7
217.19498	4.7
221.19069	3.1
227.18062	3.9
229.19524	8.6
239.17949	3.5
241.19600	4.8
243.21272	5.1
249.18576	4.6
255.21158	3.7
263.20062	3.7
266.55884	2.2
321.25720	2.8
337.29025	5.9
339.28885	3.9
377.32114	20.3
395.33124	59.1
413.34183	19.0
455.35477	3.1
473.26358	32.7
473.36185	100.0
474.36887	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	473.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.5
55.01875	2.4
55.05510	4.2
57.03435	7.5
61.02919	2.3
64.16520	1.6
64.79406	1.4
67.05499	6.3
69.03436	19.4
69.07069	4.6
69.88665	7.6
70.06596	10.0
71.04994	1.6
72.08151	8.7
73.02924	2.7
79.05487	3.8
79.97362	1.5
81.03442	9.7
81.07062	6.9
83.04961	2.8
83.08659	1.4
84.04492	1.9
84.08154	4.6
85.02915	13.1
86.09709	15.3
87.00819	7.7
91.05489	6.6
93.07055	6.7
95.04972	6.4
95.08611	6.0
97.02898	8.6
97.06528	4.3
98.20748	2.0
99.04456	4.6
100.11259	4.2
103.05503	1.8
105.01866	3.9
105.07049	14.1
107.08587	8.1
109.02895	8.6
109.06528	5.5
109.10153	4.8
111.08114	2.0
117.07054	2.4
118.06545	2.4
119.08579	13.5
121.06512	5.4
121.10155	7.4
123.04425	5.1
123.08082	9.7
124.88355	1.5
125.09644	2.7
127.03918	13.9
129.10246	2.8
131.08609	2.6
133.06480	1.7
133.10123	15.5
135.08075	5.0
135.11649	2.0
137.05984	3.7
137.09650	3.8
139.11157	4.0
145.04990	3.9
145.10123	3.4
146.06071	2.5
147.08072	3.9
147.11684	9.8
149.09621	5.2
151.07574	10.0
151.11122	2.5
159.02885	5.5
161.13284	3.2
163.11208	11.3
165.12761	4.9
171.11690	3.9
174.96925	2.4
182.48953	1.9
189.12790	12.5
207.13818	100.0
208.13969	2.1
210.14737	1.7
225.01694	1.8
225.14810	13.3
231.04945	2.2
323.71982	1.7
429.07730	4.9
455.33279	2.7
473.07648	9.3
473.14200	5.7
473.19427	8.0
473.34204	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	473.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.2
53.50823	3.0
55.05511	7.9
57.03438	10.3
67.05498	9.9
69.03436	20.9
69.51614	21.6
70.06601	8.0
71.04993	4.3
72.08157	14.4
81.03415	14.7
81.07056	8.8
82.05274	3.0
83.05002	6.8
84.08154	7.4
85.02913	31.2
85.06557	6.2
86.09707	27.5
87.00827	11.1
87.04474	3.7
91.05479	10.6
93.07046	9.1
95.04972	4.4
95.08623	47.7
97.02898	11.9
99.04479	6.7
103.03947	4.8
105.01881	9.8
105.07064	15.3
107.08616	17.9
109.02876	11.9
109.06524	5.5
109.10179	4.8
113.06024	6.6
118.06541	7.5
119.08587	11.1
121.06519	5.4
121.10144	6.7
123.08064	24.7
127.03906	18.5
131.08591	7.0
133.10132	13.9
135.08099	7.2
135.11703	10.7
137.09622	14.3
145.10085	3.6
146.06023	7.7
147.11690	12.4
149.09625	23.3
149.65129	3.1
151.07593	18.7
151.11159	9.2
153.12711	4.8
159.02988	7.4
161.13293	8.0
163.11200	13.1
165.12769	5.3
167.10753	3.2
177.05563	5.2
179.14336	3.8
185.16440	5.3
189.12747	18.9
191.14421	3.4
207.13820	100.0
208.04335	3.6
213.16129	5.0
225.14925	12.0
231.05200	7.7
261.14590	7.7
262.09326	3.2
311.07080	8.7
364.15701	4.0
429.17520	5.0
465.39474	3.6
473.15512	6.2
473.23389	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	473.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.7
55.01871	4.6
55.05502	4.5
57.03426	6.8
59.04998	3.0
61.02924	1.6
67.05512	8.0
69.03434	20.8
69.07069	2.6
70.06597	8.7
71.04984	3.7
71.49013	2.5
72.08161	12.7
73.02946	1.8
79.05503	4.9
81.03418	15.4
81.07057	8.4
83.04989	2.8
84.04510	2.7
84.06771	1.5
84.08134	5.6
85.02907	17.7
85.06548	2.4
86.09720	20.7
87.00831	10.9
91.05499	7.9
93.07061	8.5
95.04961	5.6
95.08604	5.5
97.02879	9.5
97.06536	2.9
99.04459	5.7
99.78651	1.4
102.05555	2.1
105.01855	5.2
105.07033	15.9
107.04938	3.4
107.08592	10.7
108.32993	1.9
109.02858	10.3
109.06505	9.6
109.10138	4.5
111.08080	3.9
117.06997	1.8
119.08590	15.2
120.83228	1.6
121.06490	8.4
121.10150	7.6
123.04403	5.3
123.08072	16.1
125.09579	2.9
127.03941	14.4
129.07028	2.0
130.06425	1.4
131.08566	5.9
133.06465	2.5
133.10124	15.9
135.08078	8.5
135.11668	2.6
137.05965	12.1
137.09615	10.1
139.11150	2.9
145.05002	6.0
145.06422	2.6
145.10075	5.0
146.06039	4.9
147.11684	10.2
149.09610	7.2
151.07564	13.9
151.11198	5.3
156.09320	2.0
159.02950	3.5
161.06041	2.1
161.13258	6.3
163.11195	14.3
165.09135	2.4
165.12727	7.3
171.11737	2.6
177.12808	2.4
187.89919	1.7
189.12759	15.1
189.53809	1.4
191.14311	2.2
201.12413	4.3
207.13811	100.0
225.14864	18.8
229.11781	2.4
231.04996	3.1
238.70152	1.4
243.13484	2.8
245.18533	1.5
246.71069	1.7
455.19550	3.1
473.14722	4.7
473.20422	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	472.182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.8
53.03954	7.8
55.01875	10.4
57.03445	5.5
61.02933	6.3
65.57061	1.1
67.05489	1.6
68.99788	2.6
69.03434	35.0
69.07081	1.1
69.45164	5.9
69.45576	2.5
70.06591	1.3
71.04993	6.0
73.02927	8.5
74.07781	1.0
79.05492	1.9
81.03423	32.8
81.07024	1.7
85.02908	88.4
85.06551	1.4
86.09707	1.3
87.00834	38.4
87.04478	1.9
91.03936	2.4
93.07034	1.5
95.04944	1.3
95.08610	1.4
97.02898	62.3
97.06476	1.4
99.04457	19.6
101.02386	1.4
105.01873	62.8
105.03384	24.3
105.07026	1.7
109.02892	36.5
110.58246	0.9
115.03919	1.8
117.01850	4.9
119.08595	2.2
121.10159	1.2
123.04447	5.0
127.03924	100.0
129.01851	3.9
145.04970	60.7
147.02861	4.1
158.92775	0.9
159.02899	26.0
165.09065	1.6
177.03952	2.3
189.03886	2.2
189.09113	5.4
193.08578	1.9
213.03917	4.8
231.05013	28.3
249.06004	6.6
315.10715	1.6
425.45245	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80975	0.9
56.96581	2.8
58.99579	2.3
68.05028	2.7
69.89842	1.9
69.90247	4.1
70.06595	12.6
72.08185	1.9
84.04516	1.6
84.05632	12.7
84.08145	4.7
85.02914	3.3
86.00656	22.1
86.09716	1.5
88.03986	5.9
89.03912	4.2
95.06081	2.0
96.04494	19.0
97.02876	2.0
98.97594	3.2
99.01459	1.3
103.05495	2.3
105.04498	1.4
107.04926	1.6
110.07204	1.5
110.97560	1.4
112.02195	5.0
113.03496	1.2
117.03359	2.3
120.08102	26.8
123.04424	1.0
123.05540	5.4
128.98613	1.5
129.10310	2.0
130.05061	1.2
132.01154	24.5
135.04469	6.0
135.05408	1.4
136.06181	2.6
138.03717	1.8
140.01653	50.2
145.02841	2.8
145.06017	1.1
148.06358	1.7
149.07097	1.4
150.07753	1.2
153.04874	1.3
154.03218	8.8
163.03979	21.4
164.01633	5.7
164.04276	3.1
165.02472	3.4
166.03262	10.3
166.04613	1.8
166.08643	12.6
173.35506	1.1
179.00267	1.4
181.04315	11.0
182.02715	2.2
192.01146	1.4
199.05495	1.1
210.02220	8.7
219.01723	2.5
223.06514	25.6
224.01863	1.2
224.59116	1.2
227.04860	100.0
228.05133	1.8
237.00638	1.3
237.02809	2.3
264.09137	8.9
266.05637	1.4
273.02948	1.0
275.05972	2.5
293.07001	3.2
309.02710	1.8
310.09692	65.1
311.09882	2.1
472.14734	1.4
472.28424	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	471.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05534	4.2
65.03059	3.7
66.47350	3.9
67.05511	9.1
69.07065	15.3
71.48611	7.6
79.05518	9.1
81.07050	19.6
84.04507	11.4
91.05505	23.7
92.16787	4.3
93.07063	23.5
95.08605	29.7
99.08092	4.8
105.07047	42.8
107.08609	37.5
109.10144	13.3
112.02731	4.5
117.06995	11.5
119.08607	48.3
121.10157	29.7
124.04334	4.0
131.08542	30.4
133.10127	28.2
135.11710	21.5
143.08487	5.2
145.10135	27.3
147.11714	48.0
149.13213	5.3
159.11674	16.6
161.09608	5.1
161.13300	9.7
163.11191	7.1
163.14822	4.6
173.13304	9.9
175.14836	17.5
177.16420	22.2
187.14859	38.0
189.16400	8.9
194.69188	4.6
199.14862	5.0
201.16415	86.1
205.15903	100.0
206.45563	4.5
207.17307	9.2
219.17433	10.8
294.30804	5.0
389.31790	5.0
407.33188	29.5
425.34033	22.1
453.22861	4.9
453.33975	5.5
471.35120	5.3
473.36246	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44786	1.4
53.03937	3.9
55.05519	10.3
57.03439	53.8
57.07063	1.9
60.28427	1.1
65.03927	3.5
66.57903	1.3
67.05506	41.1
67.34153	1.3
69.07076	11.0
71.04977	1.7
71.12774	1.2
71.13358	3.0
71.13688	1.3
79.05495	41.4
80.34197	1.2
81.06593	2.7
81.07062	47.7
83.04967	2.8
83.08611	5.1
85.06517	1.7
91.05480	26.9
93.07049	48.9
95.04980	3.2
95.08613	40.8
97.06523	3.7
97.10186	2.4
98.98471	100.0
99.08097	2.0
105.07030	22.9
106.36758	1.1
107.07887	2.1
107.08595	31.9
109.06479	2.7
109.10168	14.0
116.09512	1.3
116.99509	1.7
117.07040	7.3
119.08587	24.4
121.09330	2.1
121.10148	23.7
122.92848	1.2
123.11720	7.4
131.08577	18.0
133.10147	15.5
135.08044	1.9
135.11676	22.9
136.99997	90.8
137.09598	1.6
137.13214	2.4
139.11137	1.4
143.08525	2.9
143.67377	1.5
145.10127	12.9
147.11708	12.6
149.09610	2.2
149.13266	13.1
151.11221	1.4
155.01044	82.4
157.10089	3.2
159.11722	8.9
161.09660	2.3
161.13260	10.1
163.11147	1.8
163.14816	4.9
173.13315	8.7
175.14828	9.7
177.16318	2.7
187.14874	6.4
189.16420	10.2
193.02638	16.7
199.14813	3.2
201.16331	2.6
211.03670	32.0
213.16435	2.0
215.14354	1.9
215.17990	1.8
217.15865	4.8
235.16948	3.6
243.21111	13.8
245.18867	1.6
261.22134	15.9
271.20563	3.6
299.23746	2.5
317.24820	11.6
335.25812	38.7
425.34253	7.2
470.92700	1.3
471.24963	73.7
471.34622	60.2
471.41846	1.8
472.25427	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39332	0.6
63.45508	0.5
67.05374	0.6
69.03312	0.6
69.71188	1.1
69.71603	2.2
70.06450	1.4
70.06789	0.7
79.05405	0.6
81.03296	0.9
81.06922	1.2
86.09576	0.8
89.97976	0.8
91.05367	0.7
93.06944	0.9
95.08440	1.6
96.08075	0.6
96.08795	0.6
97.06374	0.6
98.21515	0.8
107.08435	1.3
109.10028	1.1
119.08443	1.1
120.07973	0.5
121.10081	0.7
122.05912	1.0
123.78330	0.5
124.07483	0.6
125.09490	0.7
135.07948	0.6
136.11803	0.6
146.05901	0.7
163.08527	1.3
170.09392	0.7
172.07478	0.7
175.57498	0.6
216.10168	0.6
227.08066	0.6
237.10124	0.5
244.09496	1.3
263.22681	0.7
276.11148	1.4
290.12735	2.1
290.16397	0.5
292.10815	0.9
292.14215	0.7
294.12292	1.0
295.05887	1.1
296.13797	1.5
302.09332	0.6
302.12836	1.3
303.13351	1.0
304.10645	0.9
304.14236	1.7
306.12430	1.2
306.15826	1.2
308.13843	2.2
310.15518	0.7
316.14420	0.9
317.15085	1.3
318.12271	3.6
318.15918	2.0
320.13733	2.5
322.11691	2.6
322.15445	1.4
330.12329	1.1
332.13760	2.5
332.17496	2.7
333.14529	2.3
334.15579	2.8
336.13281	4.5
336.17053	3.3
338.15002	3.1
342.15912	0.7
345.10840	1.1
345.14655	1.1
346.11771	2.7
346.15530	1.7
350.14972	2.0
351.15576	1.7
352.16434	1.2
360.13190	1.4
360.17123	9.8
361.14255	2.3
364.12656	2.3
364.16525	6.7
366.18265	0.7
374.14844	0.9
378.14096	0.9
378.18127	4.3
379.07983	1.4
379.15347	0.9
382.17380	0.6
388.16547	10.8
390.18076	1.1
392.16055	3.0
397.08655	0.9
406.12735	0.5
406.17606	12.1
408.19049	0.8
410.17175	3.9
416.16162	6.0
424.18631	1.7
434.17120	38.4
435.17499	0.9
452.18188	73.0
453.18445	1.8
470.19266	100.0
471.20044	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.3
58.99588	12.9
67.05490	2.4
69.03419	4.2
69.42255	2.5
69.42647	8.1
70.02951	1.6
70.06584	3.0
72.08167	2.0
79.05477	4.9
81.07034	3.6
84.08158	1.7
86.00653	2.6
86.51653	1.2
86.99051	1.8
88.02206	1.9
88.03996	13.1
91.05492	39.3
93.07029	6.5
95.04988	1.6
95.08583	2.7
96.04491	3.5
97.01124	1.5
98.21476	2.4
103.05467	3.3
104.06265	1.5
105.00063	2.0
105.07014	5.7
107.04928	2.0
107.08579	4.6
109.06492	2.9
109.10175	4.0
110.06023	2.5
111.02654	5.1
115.05461	3.5
117.06238	1.9
117.07023	23.0
118.07789	3.9
119.08590	49.4
120.08147	1.9
121.10141	5.7
123.02623	1.7
126.03741	17.2
128.06233	2.1
129.07024	6.4
130.07825	2.3
131.04924	3.5
133.06523	1.4
136.03439	2.0
137.09605	1.9
145.06450	4.3
145.10023	1.3
146.07271	2.4
146.09645	4.0
147.04419	5.4
147.08055	100.0
148.08678	2.4
148.11160	3.5
149.04192	1.8
149.09630	3.1
151.05785	31.6
153.07407	5.9
154.03224	22.0
159.04437	3.1
160.04327	1.5
162.09135	2.3
163.05791	2.3
164.02916	1.4
164.10692	3.3
172.04294	13.8
179.05267	26.1
181.06822	13.5
183.03563	2.4
194.10019	2.7
198.02170	3.6
200.03784	22.0
203.03407	26.2
211.08560	1.5
214.62375	1.2
215.03380	4.4
222.09456	12.0
240.10431	1.7
250.08949	13.2
268.10037	40.4
269.10574	1.9
329.39056	1.3
379.78140	1.2
417.56650	1.3
452.11655	1.3
464.96555	1.2
469.33243	1.5
470.11560	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	469.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	10.3
67.05511	20.2
69.07065	17.8
71.00235	4.0
71.48795	4.6
79.05485	7.7
81.07059	37.4
83.08623	9.0
85.36052	3.7
89.06029	11.2
91.05476	5.6
93.07051	23.5
95.08615	94.9
97.10149	5.1
102.94010	3.9
105.07026	4.5
105.98563	4.1
107.08604	37.2
109.10166	100.0
109.46613	3.7
111.11707	6.6
119.08601	10.6
121.10142	33.5
123.11709	32.6
127.22392	4.3
133.10100	4.5
135.11716	28.0
137.13290	8.0
147.11708	9.1
149.13284	27.4
161.13341	6.5
163.14764	24.9
191.17957	87.9
203.17950	11.6
205.19508	19.3
217.19539	5.1
219.21097	40.7
246.08269	3.9
269.43002	4.4
284.17963	4.8
409.38095	11.8
460.13687	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	469.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93575	3.3
55.05508	23.1
57.07069	9.1
67.05228	3.4
67.05511	35.0
68.68780	3.3
69.07076	35.2
70.74378	3.4
71.16029	7.5
74.06087	3.4
79.05485	15.6
81.07052	66.1
81.07529	3.6
83.08619	20.0
89.06028	8.8
90.06418	3.0
91.05488	13.7
93.07051	51.8
95.07996	4.9
95.08612	100.0
97.10172	12.8
102.55467	3.1
105.07038	23.5
107.08597	77.5
109.10158	88.4
111.11729	5.2
117.07076	3.5
119.08579	33.3
121.10147	56.8
123.11720	38.9
125.13172	3.4
132.19688	3.8
133.10130	21.1
135.11688	55.4
136.11977	3.5
137.13249	10.2
145.10130	9.3
147.11665	18.6
149.13264	45.5
156.64566	3.1
159.11699	7.9
161.13264	19.1
163.14804	32.3
173.13448	3.6
175.14845	10.3
177.16417	8.0
187.14812	8.9
189.16373	25.9
191.17957	88.3
201.16435	4.2
203.18001	25.3
205.19571	14.4
215.17908	8.2
217.19551	23.5
219.21129	19.6
283.17380	3.8
330.52081	3.1
369.40790	3.3
397.07700	3.7
409.38425	29.6
469.40613	6.1
470.52789	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29592	1.6
51.02357	1.7
53.03953	2.1
55.05520	16.9
57.07064	7.3
63.54185	1.7
65.03931	2.3
67.05508	25.4
69.06737	2.1
69.07076	29.7
69.34850	14.2
71.08631	3.7
78.14954	2.3
79.05504	14.9
81.07066	56.7
83.08635	15.8
89.06062	3.1
89.20171	1.8
91.05475	12.4
93.07054	48.5
95.08619	96.8
97.10166	8.4
98.21527	3.7
105.07051	23.3
107.07887	2.8
107.08611	62.8
109.10170	71.6
110.10468	2.5
111.11702	6.1
111.78981	1.7
119.08596	33.7
121.10155	53.7
123.11720	38.7
131.08540	4.5
133.08614	2.9
133.10165	17.0
135.10715	2.5
135.11700	41.5
137.13251	10.8
145.10112	7.0
147.11716	22.8
147.24533	1.8
149.13277	42.8
151.14824	2.4
157.10103	2.6
159.11667	7.2
161.13257	17.3
163.14825	33.2
173.13327	2.8
175.14857	7.1
177.16389	5.5
187.14816	5.2
189.16403	30.9
191.17970	100.0
192.05971	2.3
198.65115	1.8
201.16348	3.0
203.18013	22.2
205.19562	16.2
215.17937	7.6
217.19563	23.0
219.21098	15.3
229.19632	2.4
231.21190	2.9
242.51175	2.1
243.20923	1.7
245.22546	2.0
255.21239	2.9
409.38367	36.4
427.87619	2.1
469.40024	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	469.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	12.9
53.85931	1.9
55.01862	2.6
55.05511	10.7
57.03425	5.7
57.07076	3.1
58.71714	2.0
61.02939	3.3
67.05515	16.4
68.99802	2.9
69.03087	3.2
69.03433	42.5
69.07072	10.8
70.06590	6.2
71.05004	9.9
71.47984	1.8
79.05486	8.7
81.03422	50.8
81.07062	26.1
83.05006	3.8
83.08628	2.2
85.02913	36.1
86.09698	3.8
87.00833	17.7
91.05472	14.0
93.07051	17.3
95.04981	3.0
95.08611	28.6
97.02882	8.2
97.06560	2.9
99.04462	15.4
105.01859	6.7
105.07027	18.9
107.08593	19.9
109.02888	42.2
109.06525	2.8
109.10170	16.8
110.07137	2.7
111.04448	4.2
111.08136	3.4
117.07017	2.4
119.08581	18.8
120.08164	2.4
121.10157	14.4
123.11695	5.5
125.09639	3.4
127.03926	100.0
131.08546	4.4
133.10136	14.2
135.08067	3.4
135.11690	7.6
137.09651	2.9
143.08577	3.7
145.04881	2.1
145.10133	6.8
147.11702	17.0
148.11208	3.0
149.09663	2.6
149.13254	7.6
157.10123	3.2
159.11707	5.2
161.09647	2.6
161.13251	7.3
163.14888	4.1
165.12704	3.0
171.11795	2.5
173.13232	4.1
175.14748	3.0
185.13321	2.4
187.14798	4.2
191.14432	1.9
201.16362	4.1
203.17969	12.7
213.03954	5.0
221.19014	6.2
231.04947	14.6
239.20157	3.7
428.95151	2.3
451.22931	3.4
456.09076	2.1
469.14975	4.1
469.24304	2.2
469.32935	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	2.9
51.23820	2.3
53.03949	11.3
55.01868	8.7
55.05265	4.1
55.05516	48.1
56.52105	2.3
57.03441	4.9
57.93534	2.2
61.02936	4.1
67.05507	22.1
68.99793	6.0
69.03088	4.2
69.03437	51.8
69.07081	18.1
70.06584	7.4
71.04996	9.3
71.48616	3.4
73.02928	6.7
79.05500	22.6
81.03425	38.0
81.07068	44.2
83.04998	24.3
83.08633	5.4
84.08173	3.5
84.94048	2.2
85.02912	39.8
85.06538	4.6
86.09700	5.5
87.00847	17.4
91.05478	23.3
93.07055	26.8
94.26360	2.4
95.04981	17.5
95.08617	27.8
97.02915	17.6
97.06524	9.5
99.04456	10.7
100.11236	4.3
105.01854	8.0
105.07038	32.6
107.04958	2.9
107.08605	25.2
109.02876	18.4
109.06527	25.0
109.10174	13.1
111.04424	2.8
111.08108	4.8
117.01831	4.0
117.07048	6.2
119.08588	67.0
121.06484	3.3
121.10149	30.3
123.08055	5.1
123.11681	6.4
125.09651	6.6
127.03922	28.6
127.11219	4.8
128.06161	2.8
129.07024	4.7
131.08574	12.2
133.06462	5.4
133.10138	67.8
135.08092	6.7
135.11700	6.8
137.09616	6.6
142.07806	2.7
142.12331	4.0
143.08563	6.6
145.04974	5.6
145.10155	17.5
145.11119	3.2
147.08058	55.1
147.11742	14.7
148.11223	3.7
149.09604	4.5
149.13200	3.2
151.11200	8.7
152.71834	2.8
155.08568	4.0
157.10172	10.8
159.02924	13.5
159.11707	14.0
161.09633	16.7
161.13277	100.0
165.09154	11.7
165.12830	2.6
170.10893	7.8
171.11784	4.8
173.09657	4.6
173.13235	5.5
175.11223	7.1
175.14851	36.2
185.13287	15.1
188.11955	7.0
191.14311	5.8
201.16281	4.8
203.14334	95.7
203.18074	3.0
221.15381	96.5
275.47681	3.2
300.37283	2.8
311.20007	2.6
353.81323	3.2
437.57156	2.9
452.18063	3.2
469.16187	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	469.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	12.3
55.01873	7.9
55.05515	51.2
56.91092	2.1
57.03428	6.9
61.02924	4.4
67.05502	17.6
68.99773	3.0
69.03089	4.1
69.03436	55.0
69.07071	10.6
70.06577	8.6
71.02883	2.6
71.03213	4.0
71.04979	6.5
72.08162	3.0
73.02903	7.4
79.05496	15.2
81.03426	34.0
81.07056	31.0
83.04977	15.0
83.08601	4.2
84.08109	3.9
85.02911	39.9
85.06538	3.7
86.09691	6.6
87.00843	21.8
91.05479	23.4
93.07045	22.3
95.04980	13.7
95.08622	16.9
97.02887	15.5
97.06535	6.6
99.04445	10.8
100.11261	2.6
103.03925	2.5
103.05459	4.0
105.01872	9.2
105.07043	28.2
107.08601	20.0
109.02885	23.7
109.06525	23.9
109.10146	9.8
111.08085	3.7
117.01863	5.1
117.07005	8.2
119.04925	4.7
119.08588	63.4
120.08096	5.8
120.40704	2.2
121.06484	4.5
121.09349	2.5
121.10159	26.9
123.08035	5.6
123.11665	2.6
125.09643	5.3
127.03934	33.5
129.07011	2.5
131.08594	7.0
133.06473	2.3
133.10150	64.7
135.11650	5.3
137.09599	3.2
143.08574	4.5
145.04964	10.0
145.10152	16.2
147.08061	58.1
147.11685	10.1
148.11194	3.4
151.11169	5.2
157.10124	5.7
159.02888	11.9
159.08073	3.0
159.11690	10.0
161.09656	17.9
161.13269	94.4
163.11092	3.2
165.09105	8.8
165.87881	2.0
170.10939	6.8
173.09592	2.5
173.13237	6.1
175.11179	3.8
175.14841	40.1
176.06613	2.2
184.07300	4.1
185.13278	12.2
188.11974	5.4
191.14255	4.3
193.95171	2.5
203.14323	100.0
205.15927	3.1
221.15388	68.0
231.04970	4.5
277.10516	2.6
369.02988	2.5
486.74265	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.8
55.01879	3.5
55.05502	0.9
55.18537	0.5
56.15173	0.5
57.03432	1.7
59.71782	0.5
65.29538	0.5
65.72492	0.5
67.05503	1.0
69.03081	0.8
69.03431	9.5
69.76385	1.3
69.76791	1.3
70.06601	3.2
71.04662	0.6
71.04999	7.0
72.08165	0.6
81.03421	10.1
81.07023	0.8
83.04971	1.1
84.04493	0.6
84.08107	0.6
85.02892	2.1
86.09694	1.0
87.04461	0.6
91.05469	1.9
95.04989	0.8
95.08576	0.5
98.21428	0.7
99.04462	5.0
105.07022	1.5
109.02874	3.1
109.06506	1.5
115.68945	0.4
116.04938	0.5
117.05490	2.0
118.06550	2.7
119.04881	0.6
119.08564	0.6
120.08088	2.5
121.02893	0.7
121.10151	0.9
124.07607	1.0
127.03921	1.4
129.10201	0.9
131.08549	0.7
133.06622	0.5
133.10141	0.6
135.08058	0.7
145.07610	5.9
145.10103	0.7
147.08167	0.6
147.09171	3.4
157.10114	0.5
163.03989	0.6
173.07115	10.4
173.09520	0.5
175.08691	5.4
191.08163	100.0
192.08484	0.8
203.03464	0.9
203.14330	0.9
221.11784	0.6
221.15294	0.9
222.77432	0.5
250.38545	0.5
271.10782	1.0
274.31326	0.5
289.11725	3.5
289.14774	0.6
307.12897	60.5
308.13248	1.1
321.07501	1.3
322.08456	0.6
325.13974	16.8
349.07047	0.8
351.08725	0.8
397.13922	0.8
407.18460	0.5
409.16211	1.0
415.15182	0.7
433.09106	2.0
433.16019	3.9
441.82346	0.5
451.10330	1.6
451.16479	1.0
469.10638	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03520	1.0
53.03942	3.7
55.01866	1.3
55.05511	0.9
55.91766	0.7
57.03425	1.1
59.04997	0.9
59.62224	0.7
61.22453	0.8
67.31174	0.7
69.03436	10.5
69.36631	4.0
69.37032	1.8
71.04669	0.7
71.04995	6.3
81.03422	25.3
83.04992	4.9
83.38100	0.7
85.02894	1.9
99.04459	9.5
103.03928	2.0
109.02885	8.7
117.05473	1.6
118.06544	3.2
127.03921	2.5
145.07610	4.2
147.09190	9.1
149.67368	1.0
154.03879	0.8
162.07820	1.0
163.08678	1.9
173.07126	9.6
175.08690	10.0
175.10263	1.0
182.15436	0.9
190.07300	1.0
191.08162	100.0
198.14790	1.2
199.08788	1.1
199.90215	0.9
204.08914	0.9
210.14835	1.1
213.10117	0.9
214.87163	0.7
226.14352	1.1
231.11256	1.0
233.09085	1.1
236.00267	0.9
242.13254	0.9
271.10754	1.8
285.50998	0.8
289.11887	8.1
307.12875	32.8
325.10205	1.8
325.13962	33.0
326.14301	1.2
331.12915	9.1
349.13947	6.4
371.16016	2.4
389.16937	3.4
397.13876	5.4
415.15137	11.1
433.16061	11.2
451.17288	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	468.213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21794	0.7
53.03893	0.6
53.12547	0.5
55.01805	0.6
60.41705	0.6
65.17297	0.5
67.05432	1.2
69.03340	0.6
69.06976	1.9
69.07316	0.7
70.06517	1.3
79.05396	2.8
79.48160	0.5
80.04903	1.8
80.22797	0.5
81.03340	1.2
81.05724	1.4
81.06992	0.8
82.06486	1.6
82.06937	0.6
84.08054	0.7
85.02791	0.6
86.09649	1.2
91.05375	4.0
93.06935	10.2
93.07569	0.9
94.06462	9.6
94.66702	0.5
95.04929	0.8
95.07241	10.6
95.08549	0.8
96.08020	21.0
96.08700	1.0
96.08974	0.8
97.06435	2.0
97.07002	0.6
101.97592	0.5
103.05357	2.2
105.05733	0.6
105.06961	0.7
106.06509	0.9
107.08487	0.9
108.04373	2.0
108.08125	10.9
108.08788	0.8
109.08807	1.0
110.09683	38.1
118.06445	0.7
118.40057	0.5
120.08109	25.8
121.06389	0.8
122.05970	1.1
123.06712	1.7
124.07485	0.8
126.15117	0.5
127.03907	0.6
134.05891	1.6
136.07571	3.9
138.05440	0.9
138.09142	42.2
140.06918	0.7
146.06038	2.6
148.07579	9.2
154.08539	1.6
159.09128	1.0
161.07088	4.6
166.08641	60.5
168.06441	1.7
176.06992	0.6
187.08597	1.5
191.07993	1.0
198.09068	0.7
199.08591	1.5
201.10204	5.2
202.10675	0.6
213.10170	1.3
215.08032	1.6
215.11938	2.6
219.11197	0.6
225.10146	1.8
227.08134	0.6
227.11728	0.7
229.09598	2.5
229.13293	1.5
239.11745	1.5
241.09688	1.7
241.13222	1.2
243.11250	2.7
247.14314	1.4
252.09903	0.7
255.11336	3.7
257.12863	4.2
267.11163	1.3
269.12814	0.8
275.13907	6.0
285.12341	6.1
297.12384	3.7
299.13803	3.3
303.13388	100.0
304.13696	1.5
315.13406	14.0
422.20724	0.9
440.22021	1.3
450.20139	4.2
461.49670	0.7
468.21484	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41795	0.4
55.01839	1.0
60.57684	0.3
67.05467	1.5
68.04991	0.3
69.03408	0.5
69.07037	0.7
70.06550	1.3
71.49103	0.5
72.08143	0.6
74.87614	0.3
75.36806	0.4
79.05488	1.7
80.04984	1.0
81.03401	0.6
81.05756	0.6
81.07050	0.6
82.06567	1.7
82.99474	0.4
86.09682	0.9
91.05486	2.8
93.06487	0.4
93.07039	6.1
94.06060	0.4
94.06569	6.3
95.04912	1.1
95.07351	7.5
95.08553	1.1
96.04452	0.4
96.08136	16.0
97.02869	0.6
97.06488	1.3
99.79716	0.4
103.05427	1.2
105.05737	0.6
105.07014	0.7
106.06547	0.5
107.08562	0.4
108.04432	1.0
108.07469	0.6
108.08126	7.8
109.02853	0.6
109.08877	0.9
109.10100	0.5
110.09684	27.5
120.08110	17.3
121.06482	0.6
123.06743	1.6
127.03916	0.7
134.05957	0.9
135.06819	0.3
136.07590	2.1
138.09145	26.2
139.09480	0.4
140.06998	0.5
143.08574	0.4
145.04915	0.5
146.06004	1.0
148.07576	5.0
150.32401	0.4
152.62527	0.4
154.08632	0.5
159.09219	0.6
161.07123	3.7
166.08646	38.0
168.06610	0.7
170.09677	0.4
176.07014	0.9
187.08681	1.4
194.08157	0.7
198.09082	0.6
201.10255	3.7
202.10751	0.4
203.11899	0.4
213.10226	1.0
214.10944	0.5
215.08229	0.4
215.11758	1.7
225.10144	0.7
226.10973	0.7
227.08037	0.5
227.11751	0.7
229.09676	2.4
229.13379	0.7
231.11230	0.6
239.11781	1.1
241.09804	1.3
241.13383	0.7
242.10538	0.7
243.11336	1.9
247.10825	0.6
247.14392	1.0
255.11296	1.9
257.12851	3.8
267.11337	0.9
269.12872	0.9
275.13913	4.4
285.12344	4.5
287.13763	0.5
297.12247	1.6
299.13953	0.6
303.13394	100.0
304.13763	1.6
315.13370	6.1
422.20972	0.5
450.20245	1.3
468.21323	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	467.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	5.4
56.66451	0.8
57.07081	7.4
59.04735	0.9
65.03922	1.3
67.05513	48.7
69.07080	6.5
70.08401	2.6
70.08817	1.7
71.08646	4.1
79.05495	3.1
81.07067	19.7
83.08620	4.7
85.10192	3.9
89.06053	0.9
91.05478	3.2
93.07057	7.8
95.08060	1.4
95.08619	16.1
97.10220	1.2
105.07030	8.4
107.08609	10.9
109.10167	100.0
119.08584	10.4
121.10157	6.5
123.11729	4.1
128.97408	1.0
131.08545	1.5
133.10130	5.1
135.11711	6.7
137.09686	2.0
137.13258	1.9
145.10164	2.8
147.11716	6.6
149.13289	2.2
155.10678	1.5
159.11716	2.7
161.13251	5.1
163.14838	2.7
173.11816	4.1
173.13167	1.4
175.14847	2.2
187.14828	1.5
189.16406	4.6
191.17946	9.2
192.83118	1.1
201.16373	2.1
203.17946	4.8
215.17961	2.3
217.19572	4.2
229.19484	1.3
236.77158	0.9
239.23807	1.5
298.05417	0.9
316.63620	1.0
393.74493	1.1
407.37112	4.4
446.96497	1.0
467.37445	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	467.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.7
55.05508	14.4
55.62328	3.0
56.74715	3.3
57.07065	11.6
61.45757	3.4
67.05509	36.6
69.07068	35.7
71.08633	3.2
79.05503	17.7
79.08389	2.9
81.07063	66.1
83.08629	15.3
84.11117	3.2
89.06030	3.9
90.67594	3.0
91.05476	21.6
92.85377	3.3
93.07057	48.8
95.04985	3.0
95.08615	100.0
97.10133	4.8
98.21566	5.4
105.07036	41.0
107.08604	80.6
109.09472	5.9
109.10166	82.5
110.52531	2.9
111.11700	7.1
117.07016	5.6
119.07802	5.5
119.08594	65.0
121.09337	5.1
121.10153	75.7
123.11707	41.1
125.13229	4.4
131.08565	11.8
133.10150	51.0
135.11710	48.6
137.13271	20.4
143.08531	3.9
145.10120	22.1
147.11690	35.9
149.13289	23.7
157.10176	8.6
159.11720	27.4
161.13275	29.8
163.14810	21.8
171.11763	7.5
173.13289	21.5
175.14835	24.2
177.16417	22.5
185.13214	8.0
187.14798	23.4
189.16418	38.3
191.17950	22.4
199.14891	4.7
201.16415	18.8
203.18005	24.7
205.19559	5.5
213.16364	7.1
215.18030	15.4
217.19556	20.3
227.17920	9.8
229.19516	14.3
231.21082	10.9
243.21042	10.2
244.68373	3.1
245.22653	14.4
255.20990	5.9
257.22617	17.8
257.66672	3.4
259.24249	4.3
269.22610	24.0
271.24173	13.9
283.24240	4.2
285.25726	4.1
297.25821	4.7
311.27292	14.7
323.27481	5.1
371.29297	7.6
383.29898	4.2
407.22974	3.1
407.31839	4.4
407.36823	49.9
467.38892	49.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16780	2.4
54.50261	2.5
55.05518	13.7
57.07066	6.1
67.05505	23.7
67.62827	2.4
69.07075	32.8
70.60924	6.7
70.61289	2.2
79.05496	14.3
81.07058	44.2
83.08614	13.0
89.77323	3.0
91.05477	17.5
93.07052	31.2
95.08610	100.0
97.10162	9.0
105.07039	30.1
107.08598	63.4
108.25546	2.4
109.10161	72.5
111.11725	10.0
114.46026	2.6
117.07020	4.2
119.07806	5.1
119.08585	53.4
121.10152	51.9
123.11702	25.1
131.08563	5.2
133.10143	39.0
135.11710	40.9
137.13275	15.5
138.56355	2.9
138.86148	3.1
145.10133	12.7
147.11716	31.8
149.13249	18.9
159.11700	15.8
161.13234	25.6
163.14876	13.6
166.44765	3.2
171.11575	3.4
171.41893	2.5
173.13269	8.8
175.14825	17.3
175.40929	2.6
177.16432	20.7
179.17804	4.1
187.14767	15.2
189.16399	58.5
191.17935	41.4
199.14844	4.7
201.16460	12.4
203.17931	22.3
205.19513	9.8
215.01125	2.6
215.17967	21.9
217.19504	25.2
227.17961	3.9
229.19530	8.5
231.21057	9.7
241.06232	2.5
243.21109	11.1
245.22655	22.0
249.18826	2.9
255.21060	5.3
257.22696	7.3
259.24115	4.2
269.22769	6.4
271.24246	5.5
283.24222	2.8
297.25729	6.1
311.27264	3.7
407.36780	53.5
407.42096	3.9
448.41376	3.0
450.51309	3.0
467.38855	30.3
469.07544	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.9
55.05508	6.8
60.09179	1.7
67.05238	1.7
67.05515	21.4
69.07074	9.8
70.54426	5.4
79.05505	7.0
81.07063	31.4
83.08637	4.0
91.05491	7.0
93.07054	23.6
95.08611	48.1
97.10155	2.4
105.07043	17.4
107.08608	35.4
109.10163	100.0
117.07129	1.9
119.08585	24.6
121.10155	65.5
123.11712	29.8
131.08540	4.8
133.10144	31.6
135.11699	23.9
137.13254	6.7
145.09068	1.6
145.10152	5.5
147.11719	14.6
149.13274	17.0
151.14771	1.9
159.11729	7.6
161.13263	15.4
163.14870	8.2
173.13292	7.6
175.14876	10.7
177.16376	7.6
187.14868	6.1
189.16411	6.5
191.17943	21.1
201.16457	2.2
203.17946	13.6
215.17987	16.2
217.19545	13.6
229.19516	6.6
231.21063	2.6
243.21155	4.1
245.22734	5.0
251.51965	1.7
257.22647	6.0
269.22623	3.8
271.24258	4.0
283.24246	2.8
285.25873	2.2
407.36743	27.0
467.38885	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	467.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.1
55.05515	6.2
57.07079	4.0
57.27402	0.8
65.03943	1.6
67.05512	26.9
69.07072	9.4
69.52744	1.0
70.06805	4.4
71.08620	1.0
75.80998	0.9
79.05494	8.1
79.94199	1.1
81.07062	28.5
83.08617	5.8
89.01977	0.9
89.06008	1.3
91.05502	7.5
93.07047	21.7
95.08612	36.7
97.10190	2.7
103.83614	0.9
105.07046	14.4
107.08607	28.5
109.06570	1.0
109.10164	100.0
110.10480	1.6
111.11673	1.3
117.07030	1.7
119.08588	22.5
120.70779	1.0
121.10152	44.3
122.10489	1.0
123.11707	23.1
129.07030	1.1
131.08598	3.6
133.10141	26.7
135.11696	20.2
137.13264	5.2
145.10146	4.2
147.11681	12.7
149.13278	11.4
151.14795	1.5
159.11708	7.4
161.13252	12.9
163.14864	5.5
169.51768	0.9
171.11743	1.4
173.13269	4.5
175.14859	10.0
177.16403	4.3
186.14075	1.1
187.14743	4.5
189.16403	8.5
191.17972	16.4
201.16437	3.9
203.17932	8.2
213.16406	1.8
214.17206	1.4
215.17952	12.9
217.19501	8.7
219.17632	1.1
229.19551	4.2
231.21172	1.3
243.21175	2.2
245.22617	2.1
255.21252	1.1
257.22653	3.5
269.22595	2.7
271.24316	2.6
285.25778	1.6
351.58786	1.1
407.32364	1.3
407.36768	13.5
452.77460	1.0
467.38879	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	467.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	3.9
57.03444	8.8
57.07081	28.5
67.05505	9.3
69.07080	7.7
70.66296	2.8
71.08638	24.7
73.21000	0.9
81.07068	11.8
83.08607	6.2
85.06509	1.1
85.10188	11.7
89.06018	1.2
95.08614	16.0
96.53426	1.0
97.10171	3.3
98.98472	48.4
99.11739	1.1
107.45672	0.9
109.10178	6.4
110.36879	0.9
123.11665	3.0
124.30338	0.9
134.70158	1.0
136.99968	4.4
137.13232	1.3
155.01054	47.1
166.97548	1.1
204.69006	1.1
211.03690	1.7
229.04636	1.9
239.21681	0.9
239.23705	6.1
240.80464	1.1
311.93903	1.1
313.27390	100.0
329.95248	1.0
393.24142	2.4
449.26617	15.8
469.38058	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	11.3
55.01867	9.0
55.05518	21.1
57.03436	8.1
57.07068	5.8
60.33519	3.7
62.92237	3.8
63.70758	3.7
67.05510	26.1
68.99787	7.9
69.03429	52.9
69.07072	24.6
70.06580	7.6
70.08253	13.0
71.04987	11.0
73.02913	10.7
79.05481	26.4
81.03430	51.2
81.07058	57.4
83.04988	12.1
83.08614	10.5
84.04513	8.9
84.08151	8.8
85.02907	60.2
85.06552	6.2
86.09707	8.5
87.00814	22.6
91.05490	40.2
93.07046	54.6
94.00491	3.5
95.04983	17.4
95.08611	55.8
97.02908	29.3
97.06523	11.1
97.10159	9.9
98.97560	4.0
99.04457	18.0
100.11264	4.9
102.05554	6.4
103.03945	4.6
103.05443	7.0
105.01868	15.5
105.06391	7.5
105.07043	75.8
107.04977	6.9
107.08602	47.4
109.02892	40.0
109.06530	9.9
109.10165	31.0
111.04490	6.3
111.08092	12.9
117.07034	12.1
119.08585	61.3
121.06512	9.3
121.10139	37.4
123.04435	26.4
123.08066	13.6
123.11713	16.6
125.09623	14.9
127.03914	55.6
129.01842	5.0
129.07008	8.1
131.08575	29.3
133.10114	33.7
135.08057	5.7
135.11707	13.6
137.05966	6.2
137.09621	6.4
139.11142	11.5
143.08572	15.1
144.09395	6.1
145.04990	14.0
145.10132	71.9
147.08017	6.4
147.11725	33.8
149.09651	8.9
149.13258	14.9
151.01643	4.0
151.11171	5.3
155.08543	8.7
157.10138	21.8
159.02898	13.6
159.08070	5.8
159.11711	46.4
161.05940	4.7
161.09641	11.8
161.13281	67.0
163.14803	6.2
169.10095	6.5
171.11719	9.9
173.09711	4.7
173.13260	24.6
175.11237	8.1
175.14749	9.1
177.12799	5.1
182.15399	4.5
182.38824	4.3
183.11684	5.5
185.13344	11.3
187.14784	19.0
189.12730	6.8
189.16417	6.9
195.11731	6.0
197.13176	5.9
199.14787	8.2
201.12796	4.6
201.16365	100.0
202.16768	4.6
203.14294	8.0
203.17905	24.3
205.15889	7.7
213.03897	6.3
213.16429	9.1
217.15857	9.8
219.17444	28.7
225.12523	3.8
229.15852	6.1
231.04945	10.4
231.17438	7.1
241.15825	3.9
243.17363	4.6
277.13541	4.4
285.18518	4.9
305.24713	6.5
309.18488	9.6
327.15555	4.5
327.19348	6.0
385.31030	10.9
413.19461	5.8
449.20816	6.1
449.29803	5.9
467.22437	12.7
467.30679	11.9
486.64929	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	466.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.6
55.01879	9.3
55.05504	2.8
57.03436	4.2
57.78925	1.4
60.04519	2.3
61.02919	3.7
67.05511	10.5
68.99799	2.4
69.03082	2.0
69.03434	20.6
69.07074	3.4
70.06586	7.8
71.04992	5.8
71.48548	1.9
72.08160	3.1
73.02920	7.6
77.20670	1.1
79.05483	3.7
81.02996	1.9
81.03428	23.2
81.07072	11.3
83.04983	1.4
84.04522	1.9
84.08148	3.8
85.02908	47.8
86.09708	10.4
87.00834	22.1
91.05484	10.0
93.07043	4.3
95.04980	2.6
95.08619	7.5
97.02898	32.3
99.04458	11.3
105.01875	17.6
105.07064	2.2
107.08607	3.8
108.04469	3.8
108.08101	2.5
109.02890	20.5
109.06493	2.5
109.10170	32.6
110.07214	2.0
110.09711	1.7
115.03996	1.5
117.01852	2.8
119.05081	2.0
119.08606	2.6
120.08123	6.3
121.02855	1.2
121.10174	2.3
123.04439	5.2
123.11691	1.9
125.06010	2.6
125.09594	1.3
126.05538	2.2
127.03924	43.5
129.01869	2.6
129.10217	1.3
130.06520	1.6
136.07570	3.2
137.02466	1.5
137.09627	55.0
138.09131	2.2
145.04979	17.1
147.02898	1.6
147.11598	1.9
153.01842	1.5
155.10666	20.0
159.02887	13.9
161.81772	1.4
165.09126	44.6
165.12759	2.1
173.12883	1.7
183.10175	28.1
183.13803	5.6
188.49831	1.3
201.11230	100.0
202.11444	2.0
213.03970	6.7
231.05008	7.1
234.02209	2.7
240.12595	1.6
278.15256	1.7
292.29633	1.9
301.11826	1.3
303.05060	9.6
304.05353	18.3
313.11948	1.5
317.11505	1.6
327.99243	1.5
372.75101	1.4
420.19684	1.4
466.19690	7.4
466.28256	3.1
467.09995	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	467.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	12.8
54.24989	2.2
55.01870	8.0
55.05518	10.9
55.84909	2.1
57.03426	7.6
61.02925	2.7
65.21498	2.2
67.05506	18.3
68.99796	5.7
69.03433	38.9
69.07059	9.8
70.06587	3.7
70.51853	6.4
70.52175	2.4
71.04999	4.3
71.39749	2.7
73.02917	3.6
77.03954	2.9
78.29948	2.2
79.05486	15.8
81.03425	38.4
81.03886	4.6
81.07065	34.4
82.34957	2.3
83.04996	6.4
83.08647	4.8
84.76914	2.5
85.02904	47.2
85.06549	3.7
87.00829	18.5
87.04470	3.5
91.05481	27.1
93.07047	44.7
95.04980	7.5
95.08611	37.3
97.02898	19.1
97.06522	4.1
97.10216	3.6
98.20843	3.2
99.04449	13.4
100.11255	6.0
103.03982	3.1
105.01864	7.3
105.07034	67.6
105.07698	4.5
107.08599	37.3
109.02884	25.0
109.06525	5.6
109.10166	20.6
111.04425	6.4
111.08109	5.1
117.07008	12.6
119.08587	42.5
121.06521	3.4
121.10136	19.8
123.04438	4.2
123.11698	5.5
125.05995	2.8
125.09601	3.7
127.03928	44.5
128.06229	2.7
129.07069	5.9
131.08566	45.5
133.10143	21.4
135.08051	2.8
135.11690	8.9
142.07791	5.6
143.08542	15.7
144.09355	4.3
145.04959	9.6
145.10132	73.5
147.02946	3.3
147.08145	3.2
147.11684	17.3
149.09682	4.3
155.08496	5.8
157.10149	18.0
159.02922	7.7
159.08066	4.1
159.11691	55.6
161.09607	4.4
161.13274	32.4
163.11188	3.2
169.10156	8.9
171.08160	2.5
171.11708	11.5
173.13306	16.0
175.07541	3.0
175.11172	3.4
175.14893	4.7
181.10100	4.7
183.11668	5.4
185.13278	7.1
187.14883	15.2
189.16377	6.1
195.11740	2.5
197.13263	5.3
199.14856	20.8
201.16393	100.0
203.17970	14.9
205.15892	3.4
210.15050	2.7
211.14856	5.1
213.03975	3.6
213.16360	12.5
217.15865	11.2
219.17424	23.2
223.14662	3.9
229.15967	7.9
231.05038	10.4
231.17534	7.9
241.16014	4.5
242.75636	2.5
243.17424	4.6
247.16953	8.0
255.17398	2.5
259.17004	13.6
280.16843	2.5
281.19016	3.3
285.18497	4.8
297.18344	3.3
309.18497	9.1
327.19550	20.4
345.20569	8.6
363.21460	3.2
378.32697	2.6
387.21475	6.2
405.22568	2.4
413.19629	29.1
431.20547	14.8
449.21866	13.3
467.22943	7.0
467.31302	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	465.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26299	2.8
55.05509	13.8
57.07079	4.8
67.05507	33.1
69.07072	25.7
70.97784	6.7
71.08609	4.2
77.16930	3.1
79.05496	11.2
81.07069	39.1
83.08614	10.1
83.19635	3.0
87.65332	3.3
89.06046	6.2
91.05462	12.5
93.07037	27.6
94.97956	3.1
95.08613	79.0
95.09186	6.1
97.10149	7.3
97.84466	3.0
105.07020	31.2
107.08578	37.4
109.10167	100.0
111.11742	6.0
115.34785	3.6
119.08582	50.2
121.10149	38.0
122.81532	3.4
123.11705	20.6
129.07016	5.3
131.08551	17.0
133.10139	54.0
135.11700	28.2
137.13272	6.8
143.08577	5.3
144.09363	3.9
145.10118	33.1
147.11682	26.6
149.13274	12.7
156.05788	3.6
157.10098	19.3
158.10873	4.1
159.11688	33.5
161.13242	22.0
163.14948	3.3
169.10123	3.7
171.11705	13.8
173.13284	32.9
175.14867	13.5
177.16429	9.5
183.11823	6.0
184.12462	3.5
185.13266	10.8
187.14944	18.6
187.16273	3.4
189.16386	56.1
191.17950	10.4
197.13377	5.6
198.13873	3.7
199.14870	18.3
201.16420	16.0
203.18004	25.7
211.14838	5.3
213.16357	16.5
215.17957	31.1
217.19508	7.7
225.16347	6.5
227.17975	16.2
241.19574	12.5
243.21268	4.1
249.18616	3.9
253.19603	9.4
267.21320	4.6
269.22736	3.9
281.22589	5.1
283.24493	4.7
295.24347	6.2
297.25815	6.8
337.28912	16.1
356.66550	3.4
389.19217	4.8
405.35281	58.3
437.34125	7.0
465.37311	65.3
466.37463	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.3
53.03933	1.5
55.05511	8.5
57.07071	3.6
58.85547	1.2
65.03931	1.6
67.05506	21.1
69.07069	14.1
69.75580	4.2
69.75991	2.8
79.05492	9.5
81.07059	27.4
83.08620	8.1
91.05483	12.2
93.07050	26.2
95.08614	52.0
97.10169	3.0
105.07035	31.0
107.08604	41.3
107.09317	2.5
109.10163	48.6
110.10416	1.3
111.11712	1.2
114.06818	1.2
117.07025	5.2
119.08585	48.4
121.09460	1.2
121.10154	33.1
123.11722	7.9
129.07024	2.8
131.08585	15.6
133.10146	34.1
135.11699	25.7
137.13278	1.9
143.08554	5.9
144.09357	1.8
145.10129	41.1
146.10941	2.4
147.11694	31.6
149.13272	9.3
157.10159	5.8
158.10954	2.2
159.11694	27.1
160.12538	1.4
161.13261	23.5
163.14819	8.6
169.10226	1.5
169.16261	1.2
171.11687	8.3
173.11787	2.4
173.13264	20.4
175.14806	10.7
177.16443	3.1
185.13306	5.0
186.14087	3.1
187.14854	13.5
189.16389	71.8
190.16753	2.0
191.17955	24.8
199.14781	5.9
201.16396	100.0
202.16922	1.6
203.17943	17.0
205.19540	1.4
207.17467	1.9
210.06371	1.1
213.16380	10.9
215.15894	1.9
215.17966	41.2
217.19576	3.3
221.15387	2.4
225.16460	2.5
227.17978	4.6
229.19543	6.1
241.19614	4.1
243.21155	5.4
249.18550	6.4
257.22626	2.5
267.20972	2.3
269.22632	6.3
281.22736	2.3
283.24255	3.0
297.25870	2.1
303.05054	1.4
309.25778	1.9
311.27304	1.4
351.57272	1.3
369.28046	1.4
386.30014	1.2
405.35190	29.9
437.34128	2.6
465.37317	54.8
466.37582	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	465.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
55.05517	11.4
57.07069	3.8
59.77386	1.4
67.05510	16.5
69.07071	18.8
70.08958	5.9
77.59872	1.3
79.05494	8.1
81.07056	28.6
83.08604	6.0
91.05494	8.0
93.07050	13.6
95.08613	48.3
97.10179	4.8
105.07034	18.5
107.08595	34.0
109.10158	28.7
111.11720	4.7
117.07023	4.1
118.79376	1.6
119.08586	28.7
121.09341	2.3
121.10149	27.3
123.11734	12.2
124.00463	1.5
130.07799	1.9
130.65802	1.4
131.08594	10.1
133.10133	23.1
135.11703	12.9
137.13261	10.7
142.07698	2.9
143.08560	5.4
144.09395	2.1
145.10121	18.0
147.11693	16.6
149.13243	10.8
155.08531	2.2
156.09322	3.6
157.10144	13.1
159.11696	29.8
161.13245	12.9
163.14822	4.3
169.10080	3.4
170.10889	3.0
171.11703	15.0
173.13297	12.2
175.14821	15.4
177.16389	11.2
183.11624	4.0
185.13295	8.9
187.14838	12.0
189.16414	8.7
191.17938	6.6
197.13263	4.7
199.14868	9.5
201.16411	6.5
203.17926	3.4
205.19499	2.3
211.14862	4.8
213.16411	13.7
215.17995	5.2
217.19594	3.3
225.16379	3.6
226.17168	1.8
227.17978	11.2
229.19566	7.9
231.21117	2.2
239.17963	3.3
241.19469	10.3
243.21164	4.7
245.22649	3.2
253.19539	2.9
255.21062	4.7
257.22617	5.2
267.21121	5.5
269.22586	2.3
281.22754	3.0
283.24438	1.7
295.24222	4.3
297.25681	3.4
304.40634	1.6
305.82626	1.7
309.25714	2.4
323.27179	3.2
335.27570	7.9
347.49149	1.6
363.30533	2.7
405.35168	100.0
406.35422	3.1
465.37012	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	465.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	5.7
55.26663	1.0
57.07068	1.7
67.05524	6.7
67.96061	1.1
69.07076	7.0
70.70491	1.6
70.70853	3.2
79.05510	5.8
81.07062	17.0
83.08608	3.2
89.06039	2.0
91.05476	7.3
92.91612	1.1
93.07051	14.0
95.08619	31.9
97.10171	2.8
105.07041	17.4
107.08601	22.5
109.10168	15.5
111.11697	1.1
115.05438	1.2
117.07031	3.0
119.08592	24.0
121.10155	17.4
123.11690	5.2
131.08586	14.3
133.10138	13.9
135.11710	13.0
143.08565	2.3
144.09367	1.6
145.10135	30.1
146.10857	1.5
147.11702	11.7
149.13252	5.0
155.42674	1.2
157.10170	3.9
159.11703	18.8
161.13281	7.7
163.14816	4.1
171.11684	2.5
173.13268	9.4
175.14856	4.6
184.12634	1.1
185.13254	2.5
186.14044	1.7
187.14873	5.1
189.16402	33.7
191.17970	12.3
191.23184	1.1
199.14839	3.7
201.16397	100.0
203.17902	5.5
205.19559	1.2
213.16321	6.4
215.15933	1.7
215.17978	25.3
227.17998	2.7
229.19505	2.4
241.19548	1.3
243.21156	4.5
245.39618	1.1
249.18576	2.4
257.22580	1.7
267.21249	1.4
269.22699	1.5
281.22546	1.5
405.35291	14.1
465.37323	43.4
466.37662	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	11.1
57.07069	10.7
59.32172	2.7
63.01641	2.5
63.74808	2.6
67.05508	43.7
69.07066	42.1
69.49640	6.6
69.50045	14.9
79.05500	12.6
81.07068	47.9
83.08620	12.3
89.06039	7.1
91.05489	24.8
93.07047	32.6
95.04941	3.3
95.08617	58.2
97.10191	4.4
97.35989	2.7
105.06325	3.1
105.07033	57.3
107.08596	55.1
109.06454	3.1
109.10163	100.0
117.07013	5.7
119.08588	71.7
121.10151	40.6
123.11719	17.8
129.07002	3.9
131.08609	24.5
133.10129	43.4
135.11705	23.4
137.13289	4.5
142.07840	3.3
143.08566	7.2
144.09367	7.1
145.10133	42.3
147.11687	49.4
149.13277	7.5
157.10156	10.9
159.11710	43.6
161.13280	25.9
163.14812	6.9
171.11723	10.1
173.13263	22.7
175.14806	12.0
177.16457	7.1
185.13219	8.2
187.14813	13.6
189.16386	44.5
191.17912	17.4
199.14844	11.7
201.16464	26.2
203.17987	17.6
213.16483	9.6
215.17944	35.2
217.19528	9.4
229.19479	5.5
243.21057	4.0
257.22879	3.3
267.21152	3.3
269.97546	2.9
283.24332	6.0
302.70786	3.2
362.91498	3.3
405.35229	17.9
423.32855	4.0
465.37399	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32544	7.6
67.05499	17.3
69.03433	9.5
69.07088	10.8
69.46275	12.6
69.46687	40.7
70.06590	12.7
79.05489	16.7
81.07029	16.4
82.07381	7.6
84.08122	7.5
85.02884	9.5
86.09697	11.9
91.05455	14.1
93.07063	17.8
95.08619	13.2
96.05209	8.7
98.21487	11.2
105.07043	10.4
107.08597	10.4
109.10168	13.3
113.02351	11.8
119.08629	7.7
121.10178	7.7
157.10034	9.7
164.04681	39.2
176.01004	10.3
184.75186	7.8
191.03397	23.2
201.01897	18.0
202.07729	7.8
216.04176	49.3
231.06529	100.0
261.68280	7.2
286.06308	21.6
298.06342	22.3
303.04987	81.9
313.05115	7.1
314.05820	23.6
317.08087	8.2
330.05185	25.7
345.07529	59.1
358.04623	31.2
373.07056	66.3
405.09665	67.6
433.08990	20.4
447.10608	20.3
465.49799	7.7
478.26831	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	465.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84016	0.9
50.98382	0.9
53.26813	1.1
55.01888	9.8
55.05273	1.9
55.05513	20.2
57.03447	8.1
57.07077	7.4
61.95940	1.0
67.05515	7.1
69.06733	1.7
69.07074	22.0
69.13641	7.1
69.14063	3.3
71.08619	4.5
73.02925	6.4
79.05488	4.3
80.35953	0.9
81.07069	7.3
83.08624	18.7
85.10159	1.1
88.52149	1.0
91.70327	1.0
93.07061	6.6
95.08598	5.3
97.06542	2.3
97.10183	10.8
98.98474	43.7
107.08575	3.8
109.10170	1.8
111.08019	1.1
111.11710	2.6
113.66090	1.0
120.13327	1.0
121.10123	5.5
129.05472	3.3
135.11678	3.9
136.99992	2.7
149.13312	1.1
155.01048	38.9
203.69397	1.1
215.84169	1.0
219.21083	1.8
229.04712	2.4
237.22067	9.2
260.78186	1.2
298.18207	1.2
311.25818	100.0
312.26208	2.0
373.58322	1.0
417.74298	1.3
447.25061	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	465.1034
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
51.43252	0.1
53.03928	0.2
55.01876	0.2
55.05497	0.1
56.05032	0.1
56.96546	0.4
62.07480	0.1
65.03930	0.3
67.05507	0.2
68.99792	0.7
69.03422	0.3
69.39841	1.0
70.06600	0.8
72.08150	0.2
73.06549	0.2
74.06089	0.1
78.22482	0.1
79.05499	0.2
81.03432	0.8
84.08158	0.3
85.02905	0.5
86.09705	0.3
89.03925	0.6
93.03398	0.5
95.04964	0.6
97.02898	0.2
100.11258	0.2
101.06018	0.3
107.04951	0.1
109.02290	0.1
109.02906	0.8
110.07180	0.2
111.00814	0.9
111.04391	0.1
117.03362	0.5
118.03722	0.2
120.08099	0.4
121.02863	1.2
123.04421	0.5
125.09693	0.1
127.03922	0.5
127.94565	0.1
135.04425	1.0
136.04768	0.2
137.02345	4.1
144.13837	0.3
145.02870	0.5
145.06458	0.3
146.03226	0.1
149.02318	0.6
149.06023	0.2
150.19942	0.1
153.01840	5.3
155.04918	0.3
159.04529	0.1
161.06038	0.5
163.02585	0.2
163.03915	3.0
164.04256	0.7
165.01846	2.3
166.02637	0.5
173.02467	0.1
173.05978	0.6
175.03860	0.1
177.05392	0.2
179.03419	0.2
183.02890	0.9
183.04433	0.4
187.03880	0.6
191.03304	0.3
191.07001	0.2
195.02864	0.3
201.05492	2.7
203.03201	0.1
205.04987	0.3
207.02924	0.2
211.03941	0.3
213.05449	0.2
215.03419	0.2
217.05002	0.2
219.03027	0.2
219.06514	0.5
228.04272	0.2
229.04967	6.1
237.00764	0.3
238.01123	0.1
239.03430	0.3
246.05193	0.2
247.06000	0.7
255.01793	0.4
257.04456	3.2
273.02921	0.4
274.04828	1.0
275.05374	0.2
285.03983	1.4
303.05002	100.0
304.05347	1.8
345.05991	0.2
465.10150	0.5
465.19028	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	1.1
53.03954	1.0
54.32820	1.0
55.01638	1.1
55.01878	13.3
56.96564	1.2
57.29216	0.9
68.99789	1.8
69.03431	1.5
70.06604	6.0
71.47208	1.4
77.03927	1.4
79.05468	1.4
81.03419	3.0
83.01339	2.0
84.08120	1.2
85.02915	17.8
89.03909	2.2
91.05471	2.5
93.03424	1.0
95.04962	2.4
97.02927	1.5
98.97591	1.0
105.03427	2.6
107.04964	2.6
109.02898	4.1
110.07160	1.7
117.03422	1.2
119.04968	3.8
120.08138	1.5
123.00859	1.3
123.04440	100.0
127.03938	1.3
133.02864	3.2
135.00757	1.3
135.04436	8.7
137.02344	6.8
137.06001	1.1
139.03909	8.3
141.01842	5.1
147.04407	11.7
149.02373	4.7
149.05991	1.5
151.01480	1.0
151.03935	8.2
153.01822	3.0
161.02364	1.6
161.05980	1.4
163.03906	13.7
164.04208	1.7
165.01852	12.4
165.05472	5.9
167.03452	1.2
171.02859	1.4
175.03857	2.3
177.01848	6.4
177.05473	3.9
179.03401	13.7
183.02905	24.6
187.03973	1.5
189.05432	1.6
191.03412	6.1
193.05003	1.8
195.02882	4.4
197.04414	1.0
203.03404	2.8
205.01340	6.5
205.04976	7.3
207.02957	7.5
209.04530	1.5
215.03447	2.8
219.02885	2.0
221.04425	7.3
223.02385	9.3
230.59462	1.0
231.02899	2.0
233.04416	13.1
235.02396	3.7
237.00563	1.3
237.03880	1.5
239.07010	1.0
245.11455	1.7
249.03986	9.7
255.01868	1.6
261.03922	7.9
267.04974	28.6
271.05896	1.0
277.03363	1.7
279.04959	5.6
283.05890	1.4
285.06201	1.1
289.03625	1.4
295.04446	8.8
297.06070	16.6
303.05011	2.7
313.05566	42.2
317.06583	1.8
325.05411	2.2
353.79071	1.0
359.07645	4.4
369.06113	2.0
383.07492	1.4
393.05856	2.1
401.08719	2.9
411.07022	4.8
419.09824	2.5
429.08340	7.2
447.09256	7.9
465.10037	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	465.1028
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
51.20526	0.6
53.43741	0.5
55.01860	1.0
57.03446	1.1
60.38549	0.7
61.02910	1.4
65.03933	0.7
68.99783	0.9
69.03439	4.1
69.32759	4.2
71.04983	0.6
74.88654	0.5
81.03408	1.7
85.02916	9.5
97.02895	3.7
109.02878	1.6
111.00806	1.3
121.02856	1.5
127.03923	1.3
137.02351	3.7
145.04922	1.0
153.01859	4.4
163.03952	1.0
165.01852	2.6
173.05927	0.6
201.05486	1.7
204.26044	0.6
229.05006	4.8
257.04498	3.0
274.04776	1.2
276.90900	0.7
285.03885	1.5
303.05008	100.0
304.05368	1.0
344.91721	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.6
55.01874	0.7
57.03438	1.0
61.02933	1.5
65.03933	0.3
67.05505	0.2
68.99795	0.9
69.03431	3.5
69.43137	0.8
70.06577	0.3
71.05006	0.5
73.02903	0.4
81.02990	0.2
81.03421	2.1
82.79910	0.1
83.01333	0.3
84.08139	0.1
85.02909	10.2
86.09702	0.4
87.04456	0.3
91.03974	0.5
91.05478	0.3
93.03414	0.4
95.04976	0.4
97.02893	3.8
99.04439	0.6
103.93620	0.1
105.03386	0.1
109.02881	1.3
111.00812	1.2
115.05393	0.1
117.07001	0.1
120.08063	0.6
121.02870	1.1
122.37558	0.1
123.04429	0.3
123.08142	0.1
127.03916	2.1
135.04446	0.2
137.02342	4.1
137.03372	0.2
145.04948	1.8
145.06448	0.3
147.04405	0.2
148.05177	0.2
148.07591	0.3
149.02354	0.3
151.03918	0.1
153.01836	5.0
155.04932	0.3
159.04376	0.2
161.05975	0.4
163.03934	0.7
165.01837	2.5
165.34723	0.1
166.02640	0.3
173.06053	0.6
176.07059	0.1
177.01817	0.1
177.05510	0.1
179.03442	0.2
181.08574	1.3
182.08913	1.2
183.02896	0.9
183.04449	0.4
187.03926	0.5
191.03430	0.2
193.04974	0.1
195.02910	0.3
201.05472	2.2
205.04945	0.2
207.02887	0.1
211.03941	0.1
213.05426	0.2
215.03239	0.1
219.02925	0.3
219.06516	0.4
228.04190	0.2
229.04971	5.1
239.03415	0.2
247.06050	0.9
257.04443	3.2
274.04745	1.0
275.05515	0.1
280.11853	0.2
285.03973	1.3
303.04996	100.0
304.05310	1.8
315.04926	0.6
327.04953	0.1
336.50934	0.1
345.05975	0.4
355.08032	0.1
369.06067	0.2
411.07028	0.1
447.09299	0.1
465.09915	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	464.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.4
55.01636	1.8
55.01878	17.5
55.05524	1.8
56.05035	2.0
60.14920	1.6
65.03929	1.8
67.05498	3.3
69.03437	4.3
70.06596	21.0
70.99888	2.4
71.00233	2.7
71.06930	1.6
72.08160	8.8
73.02916	1.8
73.64919	1.5
74.06084	2.2
79.05466	2.7
81.03442	2.3
81.07067	3.8
84.04517	3.0
84.08148	8.1
85.02918	11.1
85.06551	4.4
86.09735	9.4
89.60829	1.6
91.05473	4.4
93.07043	3.3
95.04951	4.0
97.02888	3.0
98.07151	1.8
105.03343	2.1
105.07040	3.2
107.04942	2.1
109.02909	2.4
109.06459	2.4
110.07140	4.0
119.04945	2.8
119.08633	1.8
120.08115	7.0
121.06521	2.8
123.04429	16.0
123.08098	2.0
129.10231	2.9
130.04935	1.8
131.08543	3.0
132.08994	1.9
133.06508	6.2
135.04422	3.6
145.04991	3.0
147.04411	19.3
147.07979	2.0
149.05975	3.9
151.03929	2.7
151.07515	1.8
153.05507	2.0
161.05983	10.0
161.09631	5.3
163.07529	2.1
165.05501	6.2
167.07045	1.6
173.13309	2.0
174.13623	2.5
175.11150	1.7
177.05463	5.3
177.09203	2.7
179.06929	1.9
181.12250	1.6
189.05473	38.5
189.09100	29.4
192.06531	2.2
203.10728	11.4
207.10181	25.9
211.09521	2.2
213.53682	1.8
216.12306	3.7
223.05991	3.0
231.10175	53.7
232.10464	3.3
234.96588	1.5
246.85323	1.4
249.11230	100.0
250.11566	2.3
259.93307	1.6
267.12296	22.5
284.09244	1.9
285.13379	6.3
302.10187	4.7
311.16440	1.8
312.16742	4.2
315.12811	2.2
384.32053	1.5
447.17355	2.4
464.10791	1.9
464.17120	2.3
464.22070	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	55.4
57.07080	86.0
62.47285	6.8
63.29617	6.1
67.05510	32.8
68.26729	6.7
69.07075	100.0
69.24209	43.9
69.24613	9.1
69.91818	6.4
69.99663	6.1
71.01921	5.8
71.08639	53.9
72.98373	5.4
73.57059	5.0
79.05504	32.5
81.07059	70.3
81.80323	5.3
83.05003	6.4
83.08622	70.6
85.10192	27.2
89.05985	8.5
91.05470	41.3
93.07043	50.0
95.04971	8.0
95.08613	72.4
97.10194	41.2
105.07043	50.0
107.08610	89.7
109.06528	27.3
109.10124	39.3
111.08110	17.5
111.11716	29.8
112.99987	5.4
113.41006	6.1
117.06996	9.0
119.08590	62.4
121.06528	9.0
121.10139	28.2
121.17416	5.4
123.08070	19.7
123.11729	19.1
125.05986	9.5
125.13270	17.8
131.08586	18.8
133.10168	42.1
135.08063	40.9
135.11710	26.1
137.05956	6.3
137.09645	14.1
139.07565	8.5
143.08595	9.0
144.09270	6.1
145.10173	27.3
147.08080	12.9
147.11708	36.4
149.09598	13.5
149.13242	16.0
151.07552	25.7
151.14799	8.4
156.09471	7.1
157.10124	16.1
159.11722	27.0
160.08682	5.5
161.09558	7.4
161.13260	47.2
163.14784	9.6
167.07129	7.5
171.11742	16.3
173.13260	14.0
175.07509	9.5
175.11179	16.2
175.14859	9.6
175.42986	5.4
177.09132	17.5
177.12717	6.6
177.16418	7.0
179.07137	9.6
179.10831	6.2
181.08632	32.1
185.13307	12.9
187.14876	6.9
189.12672	14.9
189.16418	7.5
191.14253	9.8
193.08549	11.4
199.14882	7.6
199.74638	6.4
201.16484	7.0
203.14302	6.2
205.12158	8.9
217.12190	7.5
221.11737	7.1
231.13780	7.3
235.13373	8.5
241.19592	20.9
249.14967	6.0
259.17148	6.9
263.16498	7.0
273.18683	6.6
277.18192	9.9
291.19479	7.8
301.21692	12.0
305.21115	8.7
317.28604	7.2
319.22754	9.9
333.24399	7.1
346.68631	6.6
357.35220	35.0
363.22131	7.1
375.28943	7.7
375.36395	12.5
385.34756	16.6
389.30634	7.0
399.36258	27.9
403.33920	9.6
417.37363	11.9
427.35638	36.4
445.36816	57.5
463.35361	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	463.3787
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
50.30129	1.2
50.68894	1.0
53.04369	1.0
55.01852	1.2
55.05518	14.9
57.07082	29.5
65.03961	1.2
67.05517	8.8
69.07076	22.3
71.04975	1.3
71.08641	24.1
79.05503	5.0
81.07064	17.5
83.08629	13.3
85.10188	14.1
87.13460	1.0
91.05476	2.5
93.07062	7.3
95.04986	1.3
95.08615	15.7
97.02907	1.4
97.06527	3.9
97.10188	9.2
98.20579	1.4
99.04467	4.1
99.11752	2.0
105.07021	6.9
107.08615	4.4
109.06529	11.1
109.10165	8.5
109.21807	1.1
111.08079	3.0
111.11726	5.7
113.00010	5.5
113.13356	1.2
115.42942	1.1
119.08619	4.2
121.06493	1.2
121.10179	4.4
123.08083	10.3
123.11716	2.5
125.05997	14.3
125.09662	1.4
125.13297	2.0
127.07570	42.1
131.08533	2.3
133.10153	3.9
135.08081	2.1
135.11742	3.0
137.05978	4.4
137.09639	3.7
137.13315	1.7
139.07555	100.0
145.10126	2.1
147.11691	3.2
149.06018	3.8
149.09660	2.2
151.07587	8.5
151.11217	2.3
153.09160	1.9
161.09567	1.6
161.13286	1.8
163.07603	2.0
164.19833	1.0
165.09116	2.9
167.07074	4.1
169.02641	2.7
175.11334	1.2
175.14890	2.0
177.09142	11.7
189.12784	1.9
189.16548	1.5
201.64395	1.1
207.13716	2.1
291.23117	1.2
298.44208	1.3
301.28964	3.7
303.23068	1.6
319.30023	12.5
345.31750	1.6
347.33044	14.2
373.31070	5.3
385.34332	1.6
399.36374	2.0
403.35538	1.3
417.37329	14.7
427.35846	3.0
445.36838	35.5
463.37866	27.2
482.60349	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3782
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
52.92620	1.2
53.03946	2.1
55.05513	15.2
57.07080	30.9
67.05509	9.8
69.04182	1.2
69.06689	1.5
69.07067	27.6
69.78313	6.3
70.79062	1.2
71.05012	1.3
71.08636	26.4
74.34700	1.1
79.05481	5.5
81.07056	22.1
83.08624	17.7
85.02930	1.4
85.10191	12.5
91.05482	3.4
93.07049	7.6
95.04999	1.4
95.08613	18.5
97.02895	2.4
97.06528	3.2
97.10169	10.4
99.04467	5.0
99.11745	1.4
103.94821	1.3
105.07020	8.3
107.08607	6.8
109.06532	13.4
109.10162	11.3
111.08107	2.3
111.11733	4.1
117.06985	1.6
119.08572	6.5
119.52512	1.2
120.88631	1.2
121.06509	2.4
121.10162	4.5
123.08065	11.2
123.11715	4.6
125.06011	14.5
125.09608	2.1
125.13252	1.9
127.07558	43.6
131.08556	4.6
133.10130	4.5
135.08070	3.6
135.11682	2.4
137.06004	7.3
137.09613	4.3
139.07544	100.0
142.07768	1.8
145.10092	3.0
147.11699	3.1
149.05981	3.1
149.09602	4.3
149.13255	1.4
151.07565	8.2
151.11162	1.8
159.11711	1.9
161.13258	1.9
163.07564	3.0
165.09138	5.1
167.07074	6.1
177.09108	14.8
179.10745	2.4
189.12804	2.2
191.10602	1.5
191.14328	1.4
193.12172	1.7
195.10254	1.9
203.10464	1.3
203.14296	2.3
207.13858	2.3
249.14890	2.2
301.28912	5.0
319.29855	10.7
347.33090	13.1
373.31036	4.4
385.34433	1.6
399.36145	5.0
403.35349	2.5
417.37213	15.3
425.79437	1.3
427.35660	4.4
445.36847	48.4
463.37885	35.0
464.37866	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59776	6.0
53.03944	11.7
55.05514	22.6
57.03439	12.4
67.05509	91.1
69.07076	28.9
71.48566	6.9
71.49007	9.6
79.05495	48.5
81.03455	6.1
81.07069	84.4
83.08627	18.9
91.05502	87.8
93.07047	61.9
95.05009	9.3
95.08616	45.5
97.10165	9.4
101.90882	6.2
105.07045	66.9
107.08592	37.8
109.06499	11.8
109.10162	26.6
116.88071	7.3
117.07030	37.7
119.08582	46.0
121.06490	11.0
121.10165	24.2
123.08113	6.7
123.11684	7.9
129.07024	24.1
131.08601	62.5
133.10132	38.0
135.11662	10.5
141.06992	17.5
142.07817	8.9
143.08588	30.5
145.10150	39.8
147.08098	13.7
147.11673	12.1
149.09677	9.4
150.90883	6.8
155.08554	9.8
157.10146	22.6
159.11722	22.4
165.09138	7.5
169.10202	7.3
171.11749	12.0
173.13264	8.9
175.11246	7.4
183.11794	9.2
185.13356	9.5
187.14879	7.9
191.20181	6.0
195.11777	9.9
197.13220	11.3
199.14963	9.0
209.13321	8.5
247.16953	8.8
325.25485	8.4
335.23535	10.2
343.26352	20.6
353.24686	46.9
371.25894	55.2
380.53323	7.0
389.26984	51.7
445.29468	100.0
463.20499	8.8
463.30414	56.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	4.5
55.01871	8.1
55.05510	19.0
57.03434	6.7
65.03952	4.9
67.05508	81.8
69.07077	29.0
70.06586	12.4
71.05003	6.8
71.48959	5.2
72.08155	4.8
72.37331	4.6
79.05094	4.4
79.05508	67.7
81.06581	7.8
81.07057	100.0
83.04964	7.9
83.08616	20.6
84.08139	5.5
85.06589	4.5
91.05487	45.6
93.07053	74.5
95.04966	9.9
95.08614	43.8
97.06556	11.3
99.08121	4.3
103.05457	5.1
105.07031	34.1
107.08606	36.9
109.06495	10.3
109.10162	17.0
111.08083	8.6
115.05468	5.4
117.07050	23.2
119.08583	20.6
121.06489	7.8
121.10144	25.4
123.08063	7.2
125.09678	6.7
128.80229	4.8
129.07005	13.2
131.08572	32.2
133.10106	23.6
135.08060	7.7
135.11690	13.7
143.08583	7.9
145.10115	17.4
147.11713	7.1
149.13277	21.7
155.08514	8.6
157.10078	9.3
159.11693	10.9
159.51405	3.9
169.10176	8.0
171.11667	6.8
173.13403	5.5
177.12732	7.7
178.64821	4.2
183.11685	5.9
185.13237	6.9
195.13840	18.2
197.12988	4.9
291.13629	4.1
335.23645	6.9
343.26199	8.4
353.24658	20.0
367.71133	5.0
371.25867	13.5
389.26761	13.7
427.28275	5.5
445.29443	25.7
463.30643	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	463.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.4
55.01875	4.1
55.05514	28.3
57.03428	5.2
57.07068	3.3
65.03928	5.7
67.05508	75.7
69.07072	28.5
69.75201	12.1
71.04990	7.7
73.06583	2.2
76.02522	2.0
77.03922	2.0
79.05025	2.6
79.05492	63.5
81.07059	68.5
83.04967	5.8
83.08619	15.1
85.06572	3.3
91.05483	83.0
93.07045	65.4
95.04959	7.6
95.08609	44.8
97.06531	9.2
97.10184	4.0
103.05468	5.6
105.07032	76.4
107.04953	3.8
107.08588	32.3
109.06527	6.3
109.10138	17.0
115.05453	3.2
117.07018	37.3
119.08584	48.0
121.06520	10.1
121.10133	19.7
123.08064	7.1
123.11696	3.3
127.34497	2.1
128.06207	5.8
129.07007	24.0
130.07704	3.1
131.08574	59.3
132.19296	2.2
133.06503	4.6
133.10124	28.8
135.08040	6.0
135.11713	9.3
137.09647	2.7
141.06973	9.2
143.08545	21.5
145.06573	3.7
145.10127	30.1
147.08034	10.3
147.11699	9.6
149.09593	8.1
149.13231	7.4
155.08543	8.8
157.10123	17.0
159.08076	2.7
159.11694	14.3
161.09604	4.8
161.13243	4.5
167.08540	5.0
169.10103	11.8
171.11687	11.9
173.09782	3.7
173.13304	5.9
175.14851	3.3
181.10109	7.5
183.11714	7.8
185.13237	8.4
187.11217	2.5
187.14803	6.3
195.11795	3.6
195.13695	3.8
197.13235	6.8
199.14757	3.3
209.13319	4.9
211.14824	6.0
213.12753	3.4
219.13959	2.5
227.14377	4.3
229.15965	2.4
233.15375	4.3
238.60088	2.2
241.15860	3.0
247.16919	6.2
255.17480	3.4
259.16916	4.0
261.18448	4.6
273.18442	2.5
307.24017	2.6
320.40134	2.8
325.25183	8.6
335.23615	12.4
343.26245	20.5
353.24716	40.5
371.25775	53.1
389.26917	53.8
424.88470	3.0
427.28375	6.2
445.29507	100.0
446.29788	5.1
452.53641	2.4
453.53613	2.8
463.30493	47.4
489.89993	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	463.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	11.2
55.01862	8.4
55.05518	32.7
57.03429	9.5
61.46591	2.3
65.03929	5.3
67.05511	89.2
69.07072	27.9
69.22392	21.1
71.04996	3.2
77.03931	2.9
79.05502	66.8
81.07062	74.3
83.04973	5.6
83.08630	13.2
85.06522	4.5
86.57874	2.4
89.29603	2.2
91.05491	100.0
91.66036	3.1
93.07055	65.7
95.04974	11.4
95.08613	50.0
97.06512	11.0
97.10198	4.0
99.08107	3.9
103.05487	3.4
105.07040	93.2
107.04263	2.5
107.04963	9.5
107.08609	33.9
109.06536	7.7
109.10162	15.9
111.08082	4.5
115.05447	5.2
117.07031	38.7
119.08595	47.9
121.06529	7.3
121.10150	24.9
121.37433	2.8
123.08092	2.7
125.09622	3.7
128.06236	7.1
129.07018	27.1
131.08583	66.5
133.06541	4.7
133.10155	41.3
135.08064	3.8
135.11688	11.5
137.09598	4.7
141.06972	10.1
142.07736	4.4
143.08583	26.6
145.06461	3.8
145.10136	37.2
147.08034	7.9
147.11716	11.8
148.62680	2.5
149.09596	7.1
149.13290	5.5
151.11165	4.7
155.08575	14.9
157.10118	21.5
159.08125	2.6
159.11703	21.3
161.09705	4.3
161.13243	3.6
166.17334	2.8
167.08540	5.1
169.10152	16.7
171.11705	18.2
173.13266	8.8
175.11183	3.8
177.12794	2.9
181.10150	8.3
183.11699	7.8
185.13292	10.1
187.14851	6.2
195.11728	8.7
195.13760	4.4
197.13271	8.5
199.14838	6.8
201.12828	4.8
205.15936	2.7
209.13326	5.6
211.14876	5.7
213.16402	2.9
215.14398	4.7
223.14931	3.0
225.16389	4.9
227.14333	3.8
229.15927	3.2
233.15315	6.3
241.15865	4.7
245.15396	3.5
247.16992	6.2
255.17549	5.1
259.16904	5.7
261.18500	7.4
273.18481	4.6
275.20181	3.9
325.25275	13.5
335.23679	13.1
343.26318	23.1
344.41995	2.9
353.24750	49.8
371.21326	5.1
371.25836	73.4
372.26346	3.3
389.26883	64.9
427.28415	6.6
445.29492	92.3
463.30508	68.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3056
Annotation	Verbacine
Peak:m/z	Relative Intensity
53.03944	6.5
55.01873	2.2
55.05510	19.1
57.03435	4.9
57.07071	3.1
65.03925	4.5
67.05506	75.9
69.07067	23.0
71.04988	5.6
71.08642	1.3
79.05495	52.3
79.09468	1.2
81.03410	4.4
81.07058	100.0
83.04992	4.8
83.08614	16.8
85.06540	4.8
91.05480	32.3
92.83595	1.3
93.07045	68.8
95.04979	5.8
95.08610	26.2
97.06534	9.5
97.10137	1.7
97.89692	1.4
99.08057	2.9
105.07028	13.8
107.04945	1.5
107.08599	36.3
109.06529	3.8
109.10181	3.5
111.08065	7.6
117.07008	13.0
119.08588	5.2
121.06505	2.2
121.10149	20.6
123.11723	4.1
129.06970	2.5
131.08574	13.8
133.10133	14.2
135.08020	3.0
135.11693	13.7
145.10172	2.0
147.11711	1.9
149.13263	42.3
151.11191	1.5
157.10162	2.8
159.11705	19.5
177.12781	8.2
191.25729	1.3
195.13817	23.8
195.15503	2.1
203.90860	1.3
213.14873	2.6
308.86783	1.5
353.24905	3.0
371.25827	3.5
389.26862	3.1
445.29449	5.3
462.76733	1.2
463.30573	65.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.9
53.12290	2.0
55.01888	5.0
55.05516	31.0
57.03453	10.6
57.07066	2.0
64.10309	2.3
65.03943	2.6
67.05508	86.6
69.07072	27.7
70.78574	6.5
71.04977	6.0
79.05495	77.3
81.07059	78.1
83.04991	7.5
83.08623	19.9
85.06537	4.6
91.05482	100.0
93.07047	77.3
95.04982	10.2
95.08611	55.4
97.06518	11.1
97.10184	6.3
99.08086	2.6
103.05462	5.4
105.04542	3.5
105.07039	87.3
107.04958	9.1
107.08600	27.6
109.06524	11.7
109.10143	12.7
111.08103	6.0
115.05464	6.0
116.06272	3.2
117.07020	48.1
119.04951	2.6
119.08586	51.7
121.06514	10.0
121.10148	27.2
123.08102	5.3
123.11713	4.0
128.06232	7.5
129.07025	27.7
130.07791	3.0
131.08566	70.5
133.06511	7.0
133.10152	36.1
135.08061	7.7
135.11703	9.7
137.09648	3.4
139.11153	2.5
141.07008	12.4
141.14655	2.4
142.07808	3.6
143.08560	29.3
143.09579	3.3
145.06499	5.6
145.10133	39.4
147.08026	8.0
147.11716	10.8
149.09610	7.1
149.13257	7.3
152.54536	2.0
154.07779	3.3
155.08528	15.9
157.10110	18.5
159.08066	5.4
159.11678	21.1
161.09679	4.2
161.13292	4.4
163.11165	2.7
167.08553	6.4
169.10129	16.9
171.07971	2.4
171.11682	14.2
173.09622	2.8
173.13196	10.7
175.11165	3.7
181.10101	10.4
183.11711	9.7
185.09631	3.2
185.13289	13.0
187.11188	3.9
187.14835	6.2
191.14458	2.3
193.10164	2.5
193.12158	2.0
195.11670	6.9
197.13298	10.6
199.11256	4.7
199.14865	5.0
201.12793	3.8
203.14395	2.6
209.13321	3.5
211.14821	6.7
213.12584	2.5
213.16331	2.1
214.27254	2.3
219.13762	3.7
223.14796	5.2
227.14430	2.8
229.15961	3.9
233.15356	5.0
241.15924	3.7
245.15413	2.9
245.18893	2.9
247.17003	6.0
255.17441	2.5
257.15500	2.5
259.17023	3.9
261.18710	2.9
273.18546	5.0
317.22858	2.7
325.25250	11.3
335.23663	11.0
343.26324	21.3
353.24780	47.0
371.25800	65.1
389.26895	54.1
427.28467	6.7
435.30859	2.5
445.29535	66.2
463.24197	3.5
463.30511	53.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23618	5.4
53.03938	12.0
55.01849	6.6
55.05506	32.8
57.03426	9.4
65.03953	4.6
67.05506	95.6
69.07060	23.6
70.41541	16.7
79.05494	61.6
81.07059	100.0
83.04988	6.4
83.08600	15.1
91.05494	74.1
93.07041	63.6
95.04982	6.6
95.08607	61.8
97.06516	15.4
97.10142	8.7
105.07025	65.7
107.04943	6.2
107.08611	39.1
107.84158	6.2
109.10137	21.9
111.08099	7.3
117.07047	30.1
119.08584	41.9
121.06555	12.1
121.10135	25.1
123.08083	7.8
125.09660	6.6
129.07011	32.6
131.08566	41.3
133.10150	29.2
135.08049	10.6
135.11693	10.7
143.08562	25.5
145.06479	7.3
145.10133	28.1
147.11699	13.1
149.13260	12.6
155.08545	18.2
157.10135	21.3
159.08072	9.8
159.11697	18.2
169.10114	13.3
171.11754	9.9
181.10080	7.3
185.13272	7.2
197.13203	10.3
198.14661	5.5
211.92067	5.5
223.14813	7.7
233.15462	5.8
254.48590	6.6
335.23853	11.8
343.26358	26.7
353.24677	42.4
371.25931	48.2
385.77307	6.0
389.26901	35.5
445.25290	4.6
445.29590	48.5
463.30835	56.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3033
Annotation	Tupichigenin D
Peak:m/z	Relative Intensity
55.05520	2.3
57.65940	1.3
67.05492	4.5
69.07090	1.4
69.85386	1.3
71.48241	1.8
81.03444	1.8
81.07087	3.4
91.05502	1.5
93.07055	3.3
95.08620	4.0
98.86349	1.6
105.05359	1.4
105.07034	2.2
107.08598	2.4
126.71071	1.5
133.10178	1.9
139.59651	1.5
149.13197	1.4
157.25787	1.7
171.11732	1.4
230.00087	1.6
434.45206	1.9
445.29248	83.5
446.29764	2.6
463.30438	100.0
464.30765	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	13.1
55.01884	13.4
55.05513	12.3
57.03435	15.8
57.07069	8.8
61.02921	9.4
67.05511	24.2
68.99786	4.6
69.03436	45.8
69.07064	24.2
70.06590	6.9
71.01347	2.2
71.04996	13.0
71.05328	1.9
71.48489	2.2
73.02914	6.9
73.33559	2.1
79.05489	7.9
80.11421	1.9
81.03426	46.2
81.07063	21.8
81.72742	2.2
83.05001	2.6
83.08620	7.7
84.08157	3.5
85.02910	100.0
85.06554	6.4
86.09686	4.2
87.00831	41.8
87.04474	5.0
91.03947	3.5
91.05490	10.1
93.07065	11.2
95.04937	4.2
95.08607	9.4
97.02899	38.0
97.06561	5.0
97.10168	17.9
99.04461	22.3
105.01871	27.2
105.07037	10.7
105.93967	2.1
107.04977	2.7
107.08588	10.7
109.02891	48.3
109.06516	4.4
109.10171	61.1
111.08066	2.4
111.11734	8.1
117.01860	6.7
117.06995	4.2
117.78265	2.2
119.08590	8.9
120.08125	4.6
121.06505	3.6
121.10133	9.9
121.99225	2.2
123.08066	3.6
125.09628	6.0
127.03923	73.8
127.11198	75.0
127.12143	3.7
129.01881	4.9
131.04938	2.5
131.08565	5.6
133.10094	4.4
135.08069	4.0
135.11708	3.7
137.05984	4.4
145.04970	30.4
145.10150	6.8
147.02888	2.6
147.11635	4.4
149.09694	2.5
151.07629	3.5
151.11165	2.7
157.10164	3.3
159.02905	23.2
159.11697	5.2
161.13235	2.8
163.11250	4.9
167.03415	7.5
173.13243	3.8
187.11168	2.8
193.08565	2.7
215.16389	19.3
217.43372	2.3
227.07083	4.5
231.04779	15.3
231.06976	3.0
245.08104	2.8
301.07089	51.0
325.07050	7.1
330.10562	2.4
367.08121	4.7
452.47348	2.3
463.27100	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	463.1239
Annotation	6-C-Methylkaempferol 3-glucoside
Peak:m/z	Relative Intensity
53.03930	3.7
53.80622	2.4
55.01860	6.1
55.05510	5.1
57.03422	3.0
58.31431	2.0
60.92338	2.0
67.05493	8.6
68.99800	2.5
69.03430	15.4
69.07083	10.8
69.15681	22.2
70.06597	6.9
71.04980	4.9
72.08143	4.6
79.05489	5.0
81.03411	7.3
81.07066	14.7
83.04957	2.5
84.04514	2.8
84.08135	4.2
85.02909	19.7
85.06535	4.1
86.09699	4.1
87.00813	6.2
87.31805	2.0
91.05483	4.4
93.07037	10.5
95.04968	5.8
95.08601	12.3
97.02866	7.5
97.06550	6.6
97.10172	4.8
98.20741	4.9
99.04457	5.8
105.01897	4.7
105.07029	8.2
107.04955	4.3
107.08584	7.3
109.02872	8.6
109.06511	3.8
109.10162	16.6
111.11697	5.1
117.07008	3.0
119.08598	6.3
120.08118	2.4
121.06485	3.9
121.10152	7.2
123.04462	3.4
125.09613	5.5
127.03913	16.2
127.11197	14.6
131.04910	2.8
131.08557	6.1
133.10139	4.4
135.08066	2.9
137.05983	6.2
145.04930	3.9
145.10132	4.9
147.11603	2.8
149.09641	3.5
151.11195	2.7
157.10164	2.7
159.08005	2.1
161.02341	2.6
161.05969	2.3
161.09587	3.4
167.03436	13.6
167.06981	2.2
171.11713	2.6
175.03951	2.5
175.07579	3.6
175.11121	2.0
203.07159	4.6
216.04346	2.0
223.43359	2.5
231.04773	2.1
231.06601	20.4
245.08119	3.3
246.15651	2.1
247.00050	2.4
259.06012	2.3
269.08066	4.6
283.06094	2.4
301.07080	100.0
302.07455	3.0
313.06937	3.5
325.07181	19.1
343.08334	5.8
350.10962	2.3
367.08105	8.5
379.08188	3.2
391.08035	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	463.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17359	0.9
57.03395	1.0
59.55751	0.9
61.09930	0.8
69.17925	1.0
70.06586	3.2
70.68594	3.0
73.52223	1.0
79.67019	0.9
82.65278	0.9
85.02898	1.9
86.09697	1.6
96.22556	0.9
108.49312	1.0
109.02886	2.3
111.08088	3.5
121.02856	1.3
137.02374	1.1
149.02339	1.1
149.05988	2.2
151.03944	6.3
165.01843	13.7
166.96036	1.0
167.03418	2.3
175.03978	1.3
183.02960	2.0
197.15504	1.4
243.06509	1.2
248.97226	1.2
254.05585	1.5
257.04379	1.4
270.05240	3.8
271.05978	2.4
282.05286	5.3
296.06830	9.7
297.07599	3.5
298.04706	19.2
299.05411	2.4
300.06308	6.9
301.07095	5.0
309.07788	1.3
310.04663	3.6
310.08322	3.5
311.09027	4.5
312.06235	2.2
313.07074	100.0
314.07635	7.4
320.06622	1.6
324.06339	9.4
325.07016	7.7
325.10562	1.9
327.05161	1.2
327.08633	1.6
328.05801	15.8
336.06125	2.0
337.07004	1.5
338.07901	5.5
339.04980	1.7
339.08667	15.9
343.08145	69.7
344.08533	2.3
348.06372	2.7
351.08563	2.1
353.10184	15.5
363.08444	2.9
364.05704	2.0
367.08160	37.6
367.12759	2.2
376.05978	1.7
379.08160	12.0
381.09543	3.7
391.08054	8.5
394.06897	2.6
397.09195	23.2
409.09225	22.1
427.10300	24.7
428.10287	1.0
445.11359	10.3
463.12408	4.8
463.24979	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1239
Annotation	Kaempferide 3-galactoside
Peak:m/z	Relative Intensity
55.05521	0.2
60.04523	0.3
65.40659	0.2
67.05516	0.6
69.07069	0.2
70.06595	0.5
70.84096	0.3
70.84424	0.3
79.05518	0.4
81.03419	0.3
81.07056	0.5
81.38039	0.2
84.08134	1.1
85.02943	0.2
86.09716	0.8
91.05505	0.3
93.07043	0.5
95.04986	0.2
95.08635	0.5
99.25993	0.2
100.11253	0.3
107.08583	0.2
109.10101	0.2
120.08130	0.6
121.10146	0.2
129.10236	0.3
153.01874	0.3
164.14313	0.3
187.03870	0.2
190.68626	0.2
229.05026	0.5
249.09387	0.2
252.83430	0.2
257.04553	0.3
258.05255	16.7
259.05576	0.3
286.04736	35.1
287.05093	0.9
301.07074	100.0
302.07404	2.6
367.20071	0.5
375.71347	0.7
376.21365	0.3
463.12018	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	7.1
55.01863	10.5
55.05279	2.3
55.05511	35.3
57.03421	9.4
65.03930	4.8
67.05508	81.5
69.03413	5.5
69.07063	26.5
69.78984	12.5
70.06562	3.2
71.04974	7.5
73.06561	2.6
79.05492	63.4
81.03410	5.0
81.07056	71.6
83.04973	8.3
83.08620	18.5
85.02892	3.5
85.06538	5.8
91.05482	100.0
93.06488	4.4
93.07044	61.9
95.04979	16.7
95.08611	44.0
96.45633	2.2
97.06522	10.3
97.10149	9.9
98.20794	3.5
99.08057	3.6
103.05464	5.1
105.04522	3.1
105.07034	64.5
107.04958	14.8
107.08592	31.0
109.06496	9.6
109.10147	14.8
111.08041	7.5
113.02368	14.9
115.05437	9.6
116.06213	5.4
117.07015	50.9
119.04932	2.8
119.08593	44.4
121.06519	17.2
121.10159	15.9
123.08063	5.6
123.11653	3.6
125.09619	6.4
128.06238	17.6
129.07014	60.5
131.04895	3.4
131.07602	4.8
131.08569	79.8
133.06471	10.1
133.10126	23.8
135.08025	10.3
135.11678	8.4
137.09596	6.6
141.07002	17.9
142.07738	8.8
143.07526	3.4
143.08559	47.5
145.06482	17.1
145.10123	31.0
147.08049	13.7
147.11667	9.8
149.09622	10.5
149.13142	3.2
151.11165	2.3
153.06956	5.4
153.09023	4.1
154.07712	3.5
155.08568	37.0
156.09271	3.0
157.06482	3.7
157.10156	26.2
159.08038	8.0
159.11700	17.8
161.09618	9.2
161.13248	3.1
163.11186	6.0
165.06985	5.4
165.09091	3.1
166.07761	3.4
167.08572	15.5
169.10124	23.6
171.08008	7.8
171.11693	18.5
172.61922	2.3
173.09596	2.8
173.13280	6.0
175.11165	6.3
177.12714	4.8
179.08514	5.9
181.10126	15.4
183.10277	3.6
183.11620	12.5
185.09593	5.7
185.13232	15.0
187.11156	3.5
187.14786	2.7
189.12785	3.9
191.10634	2.6
193.10115	5.6
195.11713	13.4
197.09549	3.2
197.13171	12.1
199.11203	4.5
199.14809	9.1
201.12691	5.9
203.14397	3.1
205.12073	3.1
207.11674	5.6
209.13260	10.8
211.11079	3.1
211.14807	10.3
213.12764	11.1
213.16400	3.5
215.14229	8.5
217.15929	4.0
221.13245	6.7
223.14781	9.2
225.12688	5.3
225.16257	4.2
227.14256	4.9
229.15921	5.2
231.17493	3.0
233.15414	3.7
235.14766	6.7
239.14302	7.2
239.17862	3.5
241.15863	5.2
243.13643	2.7
245.15375	6.7
253.15938	4.0
257.15399	6.8
259.16971	4.1
271.16891	6.4
285.18353	4.7
305.22638	3.8
323.20361	2.8
323.23703	10.1
333.11075	4.8
333.22202	14.6
341.24640	17.3
348.13367	2.9
351.23138	42.7
369.24265	65.6
387.25339	36.7
389.11533	2.5
392.78226	2.6
415.28171	3.4
425.27042	5.3
429.13467	4.6
443.14865	2.8
443.27939	70.8
444.28366	2.5
461.29047	71.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08778	4.1
55.01873	7.3
55.05516	34.9
57.03442	12.2
57.07080	4.8
65.03941	6.1
67.05512	82.5
69.07073	29.0
69.60350	30.0
71.04987	5.0
79.05501	85.1
81.07062	80.1
83.04998	4.7
83.08615	21.8
85.06534	6.2
90.34146	4.0
91.05489	100.0
91.62181	4.1
93.07053	68.6
95.04961	13.7
95.08625	45.9
95.45982	4.1
97.06539	7.4
97.10169	9.2
98.21552	7.4
103.05534	5.0
105.04536	7.1
105.07044	78.6
107.04949	13.5
107.08579	33.0
109.06537	9.9
109.10159	19.4
111.08108	9.0
115.05477	12.9
117.07032	62.6
119.08578	40.0
121.06538	14.7
121.10168	21.8
125.09669	8.1
128.06247	18.1
129.07010	69.8
130.54541	4.0
131.08578	89.5
133.06528	10.5
133.10107	24.8
135.08113	8.1
135.11736	8.9
137.09660	4.8
141.07013	26.1
142.07768	8.7
143.08554	58.4
144.09355	5.0
145.06493	12.5
145.10110	36.6
147.08081	15.4
147.11705	12.8
149.09648	12.9
151.11237	5.8
153.07088	6.2
155.08577	38.1
156.09308	5.0
157.10130	29.2
159.08093	10.1
159.11670	20.6
161.09624	7.2
163.11276	4.9
167.08583	19.0
169.10133	25.3
171.11688	20.8
173.09625	5.4
173.13269	10.9
175.11191	9.2
179.08600	7.3
181.10124	20.6
183.11694	20.2
185.09633	5.7
185.13310	7.7
187.11166	5.7
187.14977	5.9
193.10120	4.2
194.37964	4.2
195.11787	23.0
197.13300	12.1
199.11255	4.8
199.14767	6.7
207.11623	7.8
209.13260	8.4
211.11241	8.2
211.14844	10.7
213.12805	7.0
215.14386	9.3
217.15952	6.9
221.13306	8.7
223.14877	11.9
225.12712	4.6
235.14865	10.5
239.14258	7.9
243.17723	4.1
257.15329	9.5
271.17084	10.3
323.23721	15.2
333.22128	15.0
341.24689	17.4
345.80783	5.1
351.23206	62.3
369.24252	60.0
387.25400	28.1
425.27048	4.9
443.28110	81.0
444.28445	7.0
461.29092	73.4
472.90073	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	461.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.2
55.01876	8.4
55.05511	45.1
57.03452	15.4
65.03931	7.1
67.05510	88.6
69.03430	3.5
69.07072	33.3
70.28725	11.0
71.05000	5.8
75.58831	2.6
79.05499	79.3
81.03419	5.6
81.07067	91.3
82.47038	3.4
83.04994	4.8
83.08636	21.0
85.02929	4.8
85.06567	3.7
91.05490	99.5
93.07046	59.6
95.04990	14.2
95.08617	46.4
97.06543	9.1
97.10196	9.3
103.05474	4.7
105.04527	4.3
105.07037	73.4
105.07704	5.6
107.04987	19.9
107.08593	37.5
109.06538	13.3
109.10159	25.1
111.08120	8.8
113.02393	13.6
115.05468	8.0
116.06255	4.2
117.07026	57.2
119.04993	5.8
119.08599	37.3
121.06498	17.0
121.10157	18.8
123.08092	10.6
123.11710	4.0
125.09669	6.1
128.06219	16.1
129.07019	60.5
130.07805	4.6
131.04961	4.3
131.08585	69.0
133.06474	17.5
133.10138	26.4
135.08083	11.3
135.11687	6.1
137.09613	7.0
141.06966	20.7
142.07794	7.3
143.08553	52.2
145.06448	16.2
145.10147	40.2
147.07996	18.9
147.11726	9.4
148.33754	3.0
149.09680	13.5
149.13293	5.2
153.07083	4.6
155.08559	41.4
157.06523	4.9
157.10175	25.8
159.08078	12.4
159.11746	18.9
161.09616	10.7
161.13354	4.6
163.11188	7.2
165.07047	6.3
167.08617	13.2
169.10152	25.9
171.08101	7.5
171.11668	22.6
173.09711	6.5
173.13319	7.1
175.11201	4.8
177.12766	4.4
179.08571	6.4
181.10190	17.0
182.10878	3.5
183.08191	5.0
183.11737	17.1
185.09619	8.3
185.13318	15.0
187.11267	4.7
187.14886	9.3
189.12823	5.6
193.10184	5.1
195.11737	12.6
197.13313	13.0
199.11218	6.5
199.14870	9.1
201.12839	8.1
207.11729	4.8
209.13342	9.1
211.11115	3.8
211.14894	8.0
213.12810	11.6
213.16386	5.1
215.14386	9.8
221.13313	10.0
223.14873	10.6
225.12769	6.3
225.16338	6.0
227.14394	6.0
231.13831	4.8
233.13159	2.9
233.15451	3.5
235.14949	8.1
239.14368	8.8
241.16066	5.3
245.15497	5.8
247.16989	3.9
249.16258	5.0
253.15938	8.3
257.15451	10.2
259.17310	4.4
271.16992	11.1
275.16431	3.7
285.18582	3.0
305.22537	4.0
317.08145	3.4
323.20395	3.6
323.23782	12.9
331.66177	3.3
333.11319	5.3
333.22031	15.5
341.24808	16.1
351.23254	64.7
351.27643	3.6
369.24289	88.1
387.25272	51.4
415.28644	5.3
425.26865	8.4
429.12918	4.7
443.27985	94.0
461.29065	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.7
55.01869	6.7
55.05265	3.7
55.05515	43.6
57.03429	8.9
57.07073	3.0
65.03939	7.4
67.05507	79.2
69.03426	5.9
69.07073	31.8
69.44266	9.2
69.44689	8.4
70.06592	4.9
71.04984	7.3
79.05495	65.0
81.03407	5.5
81.06591	4.9
81.07064	78.2
82.58617	2.4
83.04971	11.0
83.08613	19.3
84.08168	3.9
85.02897	3.2
85.06536	6.0
91.05486	100.0
93.07047	61.4
95.04980	14.2
95.08615	41.4
97.06532	9.3
97.10168	8.4
98.20823	5.6
99.08083	3.1
103.05466	3.3
105.07040	72.1
107.04953	15.8
107.08596	34.8
109.06512	12.3
109.10171	20.3
111.08078	7.8
115.05448	12.6
116.06226	2.7
117.07028	53.4
119.04973	5.8
119.08590	41.1
121.06509	16.0
121.10155	15.9
123.08100	4.2
123.11656	3.7
125.09617	7.6
125.30948	2.2
128.06247	14.1
129.07013	51.2
130.07768	4.5
131.04933	3.5
131.08577	67.0
133.06509	19.6
133.10152	25.2
135.08064	10.5
135.11676	8.3
137.05995	3.3
137.09619	6.4
141.06992	23.5
142.07790	7.6
143.08577	50.4
144.09373	3.5
145.06477	15.0
145.10138	32.6
147.08043	14.9
147.11688	9.6
149.09634	8.6
149.13213	3.1
150.02576	2.5
151.11227	5.6
153.06995	4.9
154.07845	3.3
155.08592	27.7
156.09274	4.2
157.06480	5.5
157.10132	31.1
159.08087	10.8
159.11716	14.4
161.09636	8.7
161.13306	5.4
163.11185	6.4
165.07010	3.8
165.09105	4.0
167.08566	9.7
169.10098	21.1
171.08035	6.8
171.11716	19.7
173.09737	5.1
173.13286	8.0
175.11220	6.7
175.14862	3.9
178.07851	2.5
179.08612	5.3
181.10095	13.7
183.08139	3.2
183.10304	3.1
183.11679	16.1
185.09720	3.8
185.13229	14.9
187.11311	3.4
187.14809	4.2
189.11229	3.4
189.12726	4.5
193.10172	6.5
195.11746	14.5
197.09601	3.2
197.13275	9.9
199.11218	4.1
199.14859	11.0
201.12810	5.6
207.11749	6.4
209.13304	9.6
211.14900	7.1
213.12790	9.4
213.16411	4.5
215.14423	5.3
217.15953	5.7
218.58900	2.3
221.13286	7.1
223.14839	8.5
225.12836	7.3
225.16319	2.9
227.14351	4.7
229.15891	4.3
231.13741	2.7
231.17462	3.7
235.14876	7.1
237.16364	2.5
239.14284	3.6
241.15880	5.2
243.13939	3.8
245.15422	4.7
247.17006	3.8
253.15866	5.7
257.15475	5.5
259.17084	4.6
271.16983	5.0
285.18433	2.8
305.22650	3.3
315.21262	2.7
323.23682	12.2
324.93011	2.9
333.22159	10.7
341.24832	19.0
351.23212	53.1
351.27005	1.9
369.24277	92.7
387.25339	48.9
405.26599	3.5
407.26120	2.7
415.28378	4.9
425.26431	5.4
443.27924	85.4
443.33984	4.9
461.29028	81.4
461.35333	5.5
462.29428	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	461.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56158	1.2
51.42579	1.2
53.03946	14.0
54.48305	1.2
55.01659	1.3
55.01879	12.7
55.05512	24.1
57.03440	11.7
57.07066	5.6
59.04993	3.9
61.02934	7.0
67.05508	12.0
68.99796	7.9
69.03436	56.3
69.07074	45.6
69.95023	3.3
69.95425	2.9
70.06598	4.6
71.04996	9.7
71.08622	1.5
72.08167	1.7
73.02924	10.2
79.05497	6.3
81.03426	50.5
81.07060	28.4
83.01350	2.6
83.04983	13.5
83.08615	8.7
84.08169	2.5
85.02911	100.0
85.06548	17.4
86.09715	3.3
87.00829	36.3
87.04503	2.5
91.03941	2.3
91.05489	4.1
93.07042	17.0
95.04951	2.5
95.08614	41.4
97.02899	31.6
97.06536	6.7
97.10184	10.8
99.04457	23.0
99.08100	33.6
101.02378	1.6
103.03958	2.8
105.01873	26.7
105.07039	4.6
107.08603	23.6
109.02890	50.9
109.06528	2.3
109.10162	17.0
111.08108	4.7
111.11729	11.1
113.09654	13.8
115.04002	2.2
117.01873	4.3
119.08595	3.4
120.08096	1.7
121.10149	30.6
123.04477	1.6
123.11697	10.8
124.04719	1.5
125.09650	11.4
125.13304	1.6
127.03928	87.9
127.11149	2.7
129.01849	6.0
131.04951	1.8
133.10149	2.2
135.11708	17.5
137.13257	16.0
139.11197	9.6
141.01866	2.4
145.04990	23.1
145.10127	2.0
147.02870	6.1
147.11751	1.8
149.13297	4.2
151.14844	4.5
153.12744	19.4
159.02914	29.4
159.11815	2.2
161.13280	1.6
163.11189	1.4
165.01877	5.7
175.14874	1.7
177.04018	2.2
177.16397	64.1
183.02863	2.2
189.03905	3.3
195.17459	79.3
213.03963	3.8
213.18504	44.3
231.05014	22.6
281.04599	2.2
285.18161	1.5
294.55737	1.5
299.05688	7.8
461.10345	3.2
461.24136	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	461.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00448	1.8
53.03949	16.0
55.01884	12.7
55.05518	28.4
57.03442	10.9
57.07066	7.5
57.72862	2.3
59.04990	4.0
61.02926	5.6
67.05511	13.1
68.99787	6.6
69.03434	66.1
69.06731	4.0
69.07075	47.1
69.07426	5.2
70.06586	10.4
70.72583	4.2
70.72922	5.1
71.05004	17.4
72.08161	2.9
72.34331	2.2
73.02908	9.6
79.05511	12.1
81.03424	64.9
81.07072	35.0
83.04993	15.5
83.08627	10.1
84.08145	4.8
85.02913	99.4
85.06556	19.6
86.09701	7.0
87.00840	37.7
91.03940	3.2
91.05482	10.1
93.07052	18.1
95.04980	2.6
95.08620	44.9
96.70448	2.2
97.02296	3.0
97.02902	41.3
97.06518	9.8
97.10185	10.4
98.21404	2.8
98.95214	2.3
99.04460	22.8
99.08099	32.5
100.11240	2.9
103.03954	3.5
103.05465	9.4
105.01868	25.6
105.07024	7.9
107.08597	29.5
109.02889	64.4
109.06505	4.8
109.10164	21.8
111.08109	6.2
111.11748	10.9
113.09608	11.2
117.01880	6.6
119.08583	3.9
121.06533	3.0
121.10152	33.9
123.11732	11.7
125.09602	11.0
127.02981	4.9
127.03931	100.0
127.11237	2.4
129.01852	6.1
131.04936	14.8
133.10158	4.2
135.11700	16.9
137.06001	6.7
137.13251	16.4
139.11171	7.5
145.04953	31.9
147.02899	5.5
147.11691	3.4
149.09628	3.8
149.13295	4.9
151.07545	5.9
151.14824	4.3
153.12782	19.7
159.02901	29.1
159.11769	2.3
161.06003	2.6
163.07556	3.2
164.62062	2.2
173.86671	2.3
177.09094	2.8
177.16391	70.6
184.43202	2.3
189.03896	2.4
195.17458	69.8
210.88101	2.2
213.03925	5.6
213.18501	55.2
214.18852	2.8
215.07193	2.2
231.05054	22.1
246.79729	2.5
268.38809	2.1
285.11401	3.1
433.16190	2.5
461.15607	2.6
461.23929	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	460.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13894	0.6
52.78089	0.6
55.05516	8.1
57.05803	1.9
57.78506	0.6
69.03439	0.8
69.18355	3.3
69.18777	3.0
72.08157	100.0
78.86494	0.6
85.02909	3.0
89.72086	0.6
92.85725	0.7
97.02897	0.8
99.22733	0.7
118.08659	70.0
119.09071	1.0
127.03931	1.7
139.75375	0.6
145.05014	1.8
163.03973	1.5
402.02072	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
55.01863	1.3
55.05493	1.0
57.03455	0.8
58.64207	0.7
61.02950	0.8
61.51630	0.6
68.26495	0.6
69.03421	4.6
70.06596	8.1
70.09579	2.4
71.05000	0.7
72.08155	7.3
73.02895	1.3
74.06074	2.5
78.74648	0.7
79.07512	0.7
81.03414	4.2
82.31523	0.7
83.06087	0.8
84.04497	2.9
84.08149	7.2
85.02911	10.5
86.06039	0.9
86.09711	10.4
87.00832	4.0
87.04493	1.9
89.06035	41.3
97.02895	4.2
97.58895	0.7
97.75163	0.7
99.04451	2.0
101.07139	1.4
102.05528	0.8
102.51315	0.7
105.01855	2.2
107.07045	3.0
109.02879	2.7
110.07175	1.0
120.08091	0.7
127.03917	4.9
129.10251	3.3
130.05075	1.1
133.08604	15.5
136.07544	1.3
138.23355	0.6
145.04970	1.9
147.07652	2.0
148.00723	0.6
151.03918	1.1
151.08560	0.7
151.09657	2.3
159.02902	1.9
159.04375	1.0
163.03854	0.8
173.12856	1.0
177.11183	2.6
182.12859	0.7
195.12292	100.0
196.12682	1.1
201.12431	0.8
246.14494	0.9
260.16074	0.9
267.35269	0.6
447.42249	0.7
461.16156	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.0523
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34190	0.4
52.19197	0.4
54.93844	6.2
55.05507	0.4
55.93531	3.3
61.07468	0.4
65.77350	0.3
65.79504	0.4
67.05495	0.5
69.07069	0.9
69.44261	2.7
70.06590	0.6
72.93768	0.8
79.05486	0.5
81.03425	0.5
81.07064	1.2
83.08620	0.5
86.09701	0.5
89.03912	0.7
91.05499	0.7
93.07063	1.0
95.08607	1.3
98.20833	0.9
105.07030	0.7
119.68608	0.4
121.10153	0.5
123.02869	0.4
123.94505	0.4
128.49080	0.4
131.04927	1.3
131.08588	0.6
133.10117	0.4
137.13254	0.4
140.96379	0.5
145.02850	3.9
145.10120	0.6
147.08080	0.4
152.96381	0.5
153.53654	0.4
158.03651	2.6
159.04437	0.9
159.11752	0.4
168.95926	0.7
173.02359	45.9
174.02750	3.4
176.96324	0.6
186.96945	0.5
187.03922	1.6
188.04700	57.2
189.05049	4.5
190.98077	0.5
192.95898	1.2
194.97391	0.9
200.96352	0.9
201.01839	13.1
202.02515	2.6
209.99551	0.5
210.96846	0.5
212.98450	0.4
216.04198	45.4
217.04738	6.4
218.05119	0.5
218.97403	2.8
222.49986	1.3
231.50526	11.0
232.00717	1.6
232.95337	0.9
234.96916	3.9
235.97566	0.6
236.49757	0.9
240.51091	8.9
241.01241	1.3
243.01379	1.0
243.51286	1.3
243.98421	0.8
244.00874	5.0
244.51079	0.8
245.00487	0.5
245.50352	2.6
245.96187	2.7
246.96906	1.7
248.94690	0.5
250.96487	1.3
252.01886	1.2
252.51576	3.1
252.97815	0.9
253.01489	14.0
253.51625	2.4
254.01071	1.8
254.50836	3.9
260.94797	1.0
261.52130	6.8
262.01999	23.3
262.52179	4.5
263.52673	0.4
263.97232	1.7
264.52231	2.9
264.94330	0.5
264.97809	2.1
266.96054	0.8
268.97412	1.2
271.97885	0.4
273.02975	1.3
273.52783	2.6
273.96719	1.8
274.96384	2.6
275.97021	0.5
277.97083	0.5
278.95892	2.5
282.98978	1.1
287.00064	1.3
288.98022	0.7
291.97614	0.5
292.97443	1.0
305.01187	1.1
305.95432	0.7
306.99072	1.2
320.97992	3.5
321.28671	0.5
321.98279	1.0
344.51810	2.0
351.02725	0.6
351.53217	11.9
352.03064	100.0
352.53207	26.6
353.03351	2.3
360.53760	8.5
361.03677	13.6
361.53940	3.9
365.03146	0.5
372.04645	3.1
372.54398	14.8
373.04562	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	459.3835
Annotation	Longispinogenin
Peak:m/z	Relative Intensity
51.95088	2.9
53.03957	3.4
55.05507	8.0
57.07055	9.1
67.05517	15.9
68.44781	3.3
69.03420	3.8
69.07065	14.0
69.38400	15.7
69.38823	7.4
71.04978	3.9
79.05483	10.4
81.07058	22.0
83.08620	6.5
89.06032	5.0
91.05476	11.5
93.06584	3.6
93.07059	41.1
95.04961	6.0
95.08620	53.0
97.10155	5.8
105.07034	25.2
107.08597	57.5
109.10157	22.6
111.08108	6.4
119.08592	34.2
121.10153	52.2
123.08106	3.2
123.11728	16.4
125.09579	10.3
131.08553	9.7
133.10155	20.6
135.08070	6.7
135.11699	30.8
137.13272	10.6
139.11212	4.9
143.08549	3.8
145.10118	23.8
147.08003	3.4
147.11703	27.2
149.13281	47.2
151.07527	8.5
157.10110	7.3
159.11714	23.3
160.59724	3.1
161.13272	11.2
163.14879	4.6
171.11684	3.4
173.13264	14.1
175.14867	8.5
176.08212	3.3
177.16362	9.3
185.13252	10.4
187.14865	18.1
189.16304	4.5
191.10683	31.8
191.18086	4.0
195.17358	5.1
199.14835	5.9
201.16377	32.3
203.17950	21.3
205.15817	5.0
213.16348	12.3
215.17909	10.3
217.19522	5.1
223.16974	7.4
225.16270	3.6
227.17924	14.8
229.19495	5.9
233.18977	12.2
241.19472	5.2
251.20105	18.3
255.20924	5.1
267.21060	4.9
283.24100	14.7
319.10892	3.2
405.34940	6.9
423.36215	100.0
424.36511	3.4
441.37811	14.9
459.38058	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	459.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.3
55.01869	7.3
55.05518	16.5
57.03436	13.5
61.02925	5.5
65.03922	4.1
67.05509	21.1
69.03442	28.8
69.07087	14.0
70.03748	2.6
70.06597	23.7
70.81911	7.4
71.01368	17.3
71.04989	11.7
72.08147	4.7
73.02929	26.7
79.05503	39.0
81.03423	20.8
81.07072	24.7
83.04984	11.5
83.08603	5.3
84.04490	2.4
84.08125	7.6
85.02913	66.5
85.06543	4.7
85.49930	2.5
86.09717	10.6
87.00823	9.8
89.03343	2.8
91.05484	29.4
93.07054	59.2
95.01342	6.4
95.04970	10.9
95.08603	26.1
97.02905	38.8
97.06556	12.3
99.00800	5.1
99.04463	11.0
101.02392	6.0
103.03970	6.3
103.05455	4.4
105.01868	4.4
105.07041	68.2
106.07368	7.5
107.04964	9.3
107.08608	100.0
109.02874	15.5
109.06520	14.3
109.10177	32.8
111.04442	4.6
111.08079	5.7
113.02393	22.0
117.06990	7.7
118.06564	2.8
119.04919	7.3
119.08593	26.7
120.08162	3.9
121.06525	23.6
121.10151	26.8
123.04456	3.8
123.08043	10.2
123.11696	8.3
125.05936	3.9
125.09650	18.2
127.03933	24.9
127.11169	3.0
129.05490	3.8
129.07021	4.6
129.10158	3.3
131.03410	7.1
131.04922	5.6
131.08592	6.7
133.06516	4.6
133.10147	28.6
134.10455	7.7
135.08073	14.3
135.10864	3.8
135.11722	46.1
135.18889	2.6
136.07666	5.3
137.05969	5.1
137.09622	10.4
139.07526	3.9
139.11162	2.5
141.01849	9.8
143.08569	4.6
145.04967	9.7
145.10146	39.0
146.06029	5.3
146.07161	2.6
147.11650	10.0
149.06026	3.3
149.09648	17.5
149.13264	3.0
151.07516	6.0
151.11200	3.0
153.12772	4.2
153.55415	2.4
157.10019	3.8
159.02898	7.1
159.04407	5.2
159.08054	5.0
159.11711	4.0
161.09636	14.4
162.09982	4.4
163.03914	39.0
163.11227	68.7
165.09105	5.6
167.07042	5.0
173.05902	2.8
173.09607	9.8
175.03856	2.8
175.14842	12.1
179.10703	3.4
181.12254	5.8
187.04018	15.0
187.05786	2.9
189.09120	4.0
191.10728	48.1
193.15894	21.5
203.14032	2.6
209.11661	5.5
211.16937	26.8
215.05489	7.2
229.08618	8.9
247.09612	4.3
263.12839	3.5
265.14188	8.2
281.13812	4.7
283.15286	18.2
459.18625	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39708	1.5
51.48105	1.6
51.73001	1.4
53.03941	2.6
55.01855	2.8
55.05511	10.5
57.03424	6.4
59.04989	2.4
61.02919	2.3
67.05510	17.4
69.03442	13.4
69.07076	10.1
70.06504	10.6
71.01347	6.2
71.04986	5.3
73.02918	7.4
77.35995	1.6
78.75813	1.5
79.05493	10.3
81.03421	5.8
81.07060	19.8
83.04990	9.8
83.08610	6.5
83.71259	1.6
85.02903	21.0
85.06543	4.5
87.00812	6.2
91.05461	8.6
91.06006	1.6
93.07049	26.4
95.01302	1.6
95.04977	3.9
95.08607	29.3
97.02875	6.3
97.06503	2.8
97.10153	2.0
99.04449	4.7
99.08114	3.9
101.02381	1.8
105.01897	2.4
105.07029	21.7
107.08591	50.6
109.02897	3.1
109.06501	11.5
109.10156	90.8
111.08078	4.4
112.92600	1.6
113.02384	5.2
113.09650	2.2
116.87872	1.7
119.08585	41.5
121.06530	8.8
121.10136	26.7
122.91113	1.8
123.08047	11.0
123.11713	6.8
125.09637	2.9
127.03904	8.3
131.08583	2.6
133.06519	2.0
133.10129	23.7
135.08029	5.1
135.11696	100.0
136.07567	1.9
136.12009	2.1
137.09633	15.9
139.11183	2.8
141.01834	4.7
145.04948	4.2
145.10144	14.1
146.06160	2.0
147.11682	3.2
149.09624	5.3
149.13260	5.8
150.28520	2.1
151.11201	6.8
151.14809	8.6
153.12764	2.5
159.02948	2.5
163.11185	33.9
165.16403	4.0
167.95856	1.7
175.14824	42.4
177.00282	1.7
181.12190	4.2
185.05356	1.5
191.10661	22.7
193.15886	57.0
209.11768	4.5
211.16933	53.1
265.14349	2.7
283.15375	13.5
447.30765	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85607	2.7
53.03949	4.2
55.01865	2.7
55.05505	8.7
55.33924	2.2
57.03420	5.5
57.07077	2.7
60.04521	2.3
61.04056	2.4
67.05505	22.6
69.03423	17.1
69.07073	18.6
69.43977	18.0
70.06596	24.6
71.05003	5.4
71.08604	3.5
72.08143	9.8
79.05485	5.7
80.50201	2.4
81.03411	10.3
81.07053	25.4
83.04974	15.2
83.08614	9.4
84.08158	5.2
85.02900	17.6
85.06536	5.7
86.09706	20.1
87.00819	8.8
91.05485	11.3
91.20402	2.1
93.07021	13.0
95.04990	5.1
95.08614	41.2
97.02898	7.1
97.06482	2.5
97.10160	6.8
99.04431	4.1
99.08064	3.9
105.01875	5.7
105.07030	10.6
107.04948	6.5
107.08603	23.8
109.02885	4.9
109.06527	11.5
109.10162	92.9
111.08070	4.8
113.09690	2.4
118.06525	3.5
119.04936	3.8
119.08581	35.2
120.08037	3.7
121.10132	16.9
123.08078	19.7
123.11713	11.8
125.09649	4.3
127.03909	11.0
133.10152	23.2
133.81082	2.5
135.08052	3.0
135.11696	77.7
135.96135	2.3
136.07579	7.0
136.12018	2.8
137.09602	19.1
139.11179	3.5
146.05994	6.1
147.11714	5.2
149.13246	10.6
151.11169	7.7
151.14796	12.6
157.09744	2.3
159.04361	2.9
165.16431	2.3
167.07085	3.5
175.14825	53.2
187.03842	4.2
192.99518	2.4
193.15897	64.2
211.16945	100.0
229.08615	3.5
231.05203	2.7
255.06578	5.9
267.06583	4.1
282.05179	6.2
283.06055	25.5
311.05469	4.6
330.54971	2.5
345.02670	2.3
415.19016	3.8
427.06589	12.9
459.09146	7.9
459.17990	7.2
464.11078	2.7
472.19614	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	459.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06113	2.0
53.03954	2.1
54.01891	1.4
54.77896	1.5
55.01873	5.3
55.05522	10.6
56.05068	1.5
57.03445	11.9
61.02924	2.1
67.05510	12.5
69.03438	15.2
69.07063	5.7
70.06607	9.8
71.01360	16.5
71.04982	4.7
72.08158	2.6
73.02925	23.2
79.05496	27.9
81.03426	7.6
81.07055	17.5
83.01339	1.8
83.04992	3.9
83.08606	3.8
84.08144	4.6
85.02913	41.7
85.06547	4.1
86.09725	8.2
87.00848	3.7
89.48819	1.6
91.05495	16.9
93.06491	2.9
93.07054	47.9
95.01322	4.2
95.04973	9.3
95.08613	12.8
97.02898	22.0
97.06529	5.8
99.00809	4.5
99.04475	8.3
100.11255	2.2
101.02392	7.0
103.03957	5.9
103.05492	3.3
105.01838	2.6
105.07044	39.4
107.04964	4.9
107.08604	100.0
107.44516	1.6
109.02880	6.4
109.06508	5.3
109.10156	13.3
111.04433	2.2
111.08067	5.5
113.02374	20.9
115.05479	1.7
117.07027	6.5
118.06528	1.5
119.04976	2.2
119.08589	15.7
121.06510	14.0
121.10158	20.7
123.00785	2.7
123.08097	3.8
123.11688	5.3
125.06013	3.1
125.09631	10.7
127.03927	6.6
127.37629	1.5
129.05479	5.3
130.07788	2.3
131.03409	7.9
131.04919	3.3
131.08568	5.5
131.28979	1.6
133.10120	9.3
135.07063	1.5
135.08069	9.9
135.11714	27.6
137.05988	3.8
137.09613	3.7
137.13210	1.8
139.07561	2.4
141.01848	10.9
143.08575	3.5
145.04991	4.7
145.09061	2.7
145.10143	35.6
146.06030	3.3
147.04469	1.8
147.08017	2.0
147.11699	5.6
149.05940	3.5
149.09648	14.3
151.07555	3.4
151.11212	1.8
153.12781	1.6
157.09998	1.7
159.02934	4.5
161.09599	3.6
163.03915	19.1
163.11192	70.4
163.12569	3.5
163.14864	1.9
165.09146	4.7
167.07103	2.9
169.04939	2.2
171.06660	2.1
173.09656	4.2
175.14850	5.9
181.12268	8.3
187.03915	4.3
187.06108	1.7
189.09146	2.0
191.10681	51.2
193.15892	6.2
197.04407	2.4
209.11694	8.9
211.13330	1.8
211.16920	9.9
213.03976	1.5
215.05574	4.8
227.12845	5.0
228.75902	1.5
229.08562	3.3
233.06688	2.1
243.17293	1.7
247.09660	2.4
265.14386	6.4
283.15417	22.4
284.15747	1.7
294.28464	1.6
307.15421	2.1
441.17310	2.8
459.14044	1.5
459.18839	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	5.7
70.06586	9.7
71.47707	2.3
72.08168	4.6
72.81258	2.0
84.08162	11.1
85.02925	7.8
86.06084	8.8
86.09724	3.0
97.02927	5.9
98.97595	17.7
100.00095	4.3
100.11272	3.6
101.00890	9.2
109.02900	2.3
110.97562	3.6
113.00912	2.7
116.98640	7.2
117.03397	2.6
118.01131	3.1
119.01936	10.4
123.88139	2.1
127.02393	3.7
128.98573	2.4
129.10246	3.3
131.01926	7.6
135.04434	4.2
137.05989	32.0
142.01123	7.6
143.01892	15.5
145.03461	9.2
147.04424	8.0
154.01210	2.0
155.01897	7.3
156.02699	8.7
157.03482	4.4
158.99664	5.8
160.02158	2.1
161.02991	14.2
163.03902	20.2
168.02736	2.7
169.03508	5.0
171.05122	4.1
172.02164	2.0
173.02960	6.3
177.00755	4.6
177.04024	5.3
178.01073	4.2
179.01921	3.4
181.03502	8.9
184.02193	4.0
185.02930	2.8
187.04507	2.7
193.03511	2.4
194.04234	3.0
195.05029	17.2
196.02222	10.5
197.02948	7.0
203.04048	9.6
205.03612	6.0
218.04286	2.9
219.01860	3.3
219.05063	28.8
221.03101	3.8
221.05115	16.7
222.03770	7.2
223.04497	5.1
226.03404	2.5
230.04071	2.1
231.05032	7.4
232.05843	2.4
236.05382	4.9
237.02797	4.6
237.06096	20.6
244.04306	100.0
245.04945	3.4
245.11374	4.9
246.03819	7.7
247.04590	7.3
249.06084	5.8
252.05142	2.5
259.04654	7.3
261.06110	18.0
262.05484	7.3
264.04788	12.2
265.05624	2.9
279.00278	4.3
279.03943	9.4
279.07199	18.2
282.03891	2.4
288.05148	3.8
291.07303	9.9
297.08206	9.0
307.06625	19.1
309.08408	8.6
320.07266	3.2
321.08234	20.1
336.06958	12.6
348.06964	57.6
349.07352	5.3
351.09332	6.4
354.08035	2.5
363.09268	33.4
366.07965	5.3
369.10272	3.4
381.10355	86.5
382.10425	2.8
387.11084	2.3
399.11414	67.5
407.06543	2.3
417.12329	3.9
441.18582	2.8
459.14175	10.6
459.19431	2.3
459.26663	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	458.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	14.9
53.53535	7.4
55.05508	29.5
58.33219	9.7
62.34758	9.2
67.05502	57.6
69.03426	38.6
69.07095	18.6
70.01704	9.0
71.48646	13.0
74.51666	9.3
79.05499	68.0
81.03429	69.8
81.07057	100.0
83.04969	17.6
83.08599	10.7
85.02903	35.9
91.05479	46.7
91.85562	8.2
92.19854	8.7
93.07057	80.5
95.04946	11.8
95.08614	62.2
97.02896	32.0
99.04414	19.4
105.07047	45.3
107.08578	44.1
109.02902	11.1
109.06491	10.6
109.10149	33.0
109.10878	8.4
117.07001	13.7
119.08567	28.2
121.06513	12.6
121.10164	40.4
123.11707	16.6
127.03913	19.1
129.06996	9.4
131.08553	33.3
133.06586	9.9
133.10101	16.4
135.11694	23.1
136.16464	8.6
137.09645	10.8
143.08568	20.9
145.10161	27.1
147.11679	19.2
149.13246	11.9
159.11676	13.6
161.13229	16.6
167.08052	8.0
169.10143	14.1
173.13289	14.6
175.14847	11.4
175.77568	8.7
185.13159	10.1
197.13306	8.8
259.20590	11.5
261.22098	23.5
303.23233	19.2
341.24866	8.7
361.29874	11.1
362.87872	8.8
369.24435	20.6
387.25015	21.5
405.26138	23.4
423.26904	9.7
429.66992	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	458.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.2
55.05523	1.2
66.07897	0.8
67.05511	2.2
69.03435	3.4
69.51322	6.0
70.06586	3.5
72.08153	1.0
77.39497	1.0
79.05505	1.6
80.30068	1.0
81.07057	1.1
85.02922	7.2
86.09719	2.0
91.05457	2.1
93.07053	2.0
95.04977	2.0
97.02881	1.5
105.07016	3.7
106.07382	1.2
107.08612	1.5
110.95810	0.9
119.04989	1.5
119.08572	2.7
120.08138	1.1
121.06538	1.4
125.09647	1.1
127.03927	1.9
129.10291	0.9
133.06528	1.7
133.10144	2.1
147.04433	4.0
155.08521	1.6
161.06004	3.6
163.07501	1.4
165.05508	2.2
173.05945	1.4
175.03918	19.8
175.14885	1.1
177.05435	2.0
183.08055	2.9
185.06033	1.0
187.07599	2.1
189.05481	50.3
191.07095	1.9
197.09691	1.0
199.07504	2.6
200.08388	2.0
201.05450	4.7
201.09140	4.9
207.04582	2.2
207.06541	46.0
210.06859	2.5
211.07588	3.7
211.17102	0.9
212.08302	1.3
213.05486	15.3
215.10670	6.3
217.12225	1.5
219.10129	2.4
225.09065	8.0
227.07034	2.1
228.07828	5.5
237.11192	1.4
243.10182	31.9
261.11240	100.0
262.11490	2.2
279.12299	78.1
280.12668	1.7
444.24606	1.0
458.30554	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.368
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
54.23051	3.9
55.05513	10.0
63.07186	3.4
67.05505	17.0
69.07071	14.1
71.48888	5.2
76.21914	3.4
79.05494	10.3
81.07060	29.0
83.08635	5.0
91.05499	17.0
93.07066	27.9
95.08611	43.6
97.06552	6.9
99.08114	5.1
105.07037	29.2
107.08621	41.6
109.10178	26.4
111.08130	8.7
119.08602	35.3
121.10148	31.8
123.08111	4.9
123.11734	13.9
125.09634	7.7
131.08559	10.0
133.10159	30.0
135.11726	24.6
137.13179	4.5
143.08556	5.7
145.10130	19.3
147.11728	24.9
149.13290	7.8
157.10202	8.0
158.10802	3.6
159.11702	18.9
161.13281	21.2
163.14818	9.5
165.12802	3.6
171.11700	7.5
173.13295	11.8
175.14883	9.4
177.16382	8.9
185.13226	6.0
187.14838	11.0
189.16409	22.9
191.17972	10.7
199.14958	6.0
201.16382	7.2
203.17903	21.0
207.14888	4.1
207.17485	25.7
215.17943	7.3
217.16049	5.7
221.19064	4.0
229.19659	5.1
231.17506	8.0
329.87720	3.9
365.42087	3.7
373.08737	4.4
421.34702	18.8
439.35928	25.7
440.65262	4.1
457.37082	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	457.3678
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
51.20994	3.1
51.54364	3.4
55.05499	11.1
57.07068	6.0
67.05508	17.1
69.07082	15.3
79.05485	19.0
81.07058	37.9
83.08619	9.2
87.52519	3.6
91.05482	10.1
93.07053	34.8
95.04954	3.4
95.08614	79.9
97.06557	3.4
105.07057	22.6
107.08598	53.8
109.10168	37.0
113.00031	8.4
119.08572	30.8
120.71261	2.9
121.10153	43.1
123.11726	13.2
131.08595	5.9
133.10143	30.4
135.11696	27.0
137.13280	9.3
143.08545	3.7
145.10106	10.2
147.11703	21.5
149.13268	18.8
151.86157	2.9
159.11705	8.6
161.13251	16.6
163.14835	33.3
169.02641	9.2
171.11682	3.9
173.13210	7.8
175.14886	18.0
177.16341	10.4
179.14209	3.8
187.14841	14.6
189.16377	36.2
191.17966	33.2
201.16368	10.1
203.17973	39.8
205.19594	10.4
207.17395	5.9
217.19492	6.2
221.19052	5.8
229.19453	4.9
229.39694	3.1
231.21086	12.1
233.18936	3.3
235.16919	5.8
238.84926	3.1
238.87605	2.9
249.18588	4.3
297.25876	6.5
310.50772	3.2
317.65579	3.2
392.74255	3.5
393.35233	4.6
411.36215	100.0
439.35504	11.6
457.36234	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	457.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.8
55.01862	4.5
55.05512	2.4
57.03402	1.8
67.05506	3.4
69.03436	14.5
69.07075	10.3
69.84005	7.1
70.06599	3.6
71.04973	2.0
72.08150	1.9
79.05502	5.3
81.03406	5.4
81.07062	9.2
83.04984	2.8
84.08143	4.2
85.02911	9.4
85.06534	2.0
86.09692	5.4
87.00840	3.6
91.05504	9.8
93.07057	18.4
95.04998	2.2
95.08604	5.8
97.02873	5.5
97.06575	3.2
99.04459	4.1
105.01847	2.4
105.07033	20.7
107.04964	2.0
107.08615	16.9
109.02868	4.5
109.06508	5.2
109.10143	2.3
111.08135	2.1
115.05420	2.0
117.07045	2.3
119.08592	8.1
121.06529	13.8
121.10171	11.9
123.08076	4.2
123.11620	2.5
125.09612	4.3
127.03904	8.0
131.08563	5.9
133.10144	15.0
135.08043	7.2
135.11676	4.5
137.09581	2.6
143.08562	2.0
145.10117	6.9
147.08083	1.6
147.11714	28.7
149.09657	5.1
149.13261	5.9
152.68700	1.5
153.09183	1.8
159.03018	2.0
159.07962	1.4
161.09616	11.0
163.11171	9.8
163.14825	1.8
165.09105	2.2
173.13249	12.1
189.09044	3.1
191.10643	3.5
191.14323	100.0
209.15381	13.9
245.18813	1.7
260.15668	1.7
281.13809	2.2
302.85352	2.1
337.55942	1.6
457.14902	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	457.207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90877	4.3
63.32582	3.5
66.94621	4.0
67.05506	12.2
69.03427	11.9
69.84271	20.2
71.04980	4.0
71.26614	3.6
74.02239	4.4
75.81556	4.1
79.05480	6.2
81.03413	8.3
81.07050	7.4
83.04974	6.1
85.02898	15.9
86.09696	10.4
87.00851	10.8
87.79105	4.0
91.05475	12.6
93.07037	13.6
95.04989	6.3
95.08604	13.2
97.02894	11.2
98.21484	4.4
99.04454	5.7
105.01876	7.5
105.07028	28.4
107.08588	15.5
109.02922	6.1
109.06507	78.4
109.10155	21.6
119.08583	10.7
121.06496	4.3
121.10173	19.3
123.08057	8.5
125.09611	5.9
127.03909	9.9
127.11113	3.6
131.08588	16.1
133.10124	29.1
135.08069	37.7
135.11620	5.0
141.01888	4.5
145.10159	8.1
147.11711	7.5
149.13264	7.4
151.11201	30.9
161.09592	13.0
163.14809	7.0
173.13271	17.0
191.14310	100.0
209.15376	53.9
337.12445	3.9
438.25311	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.8
55.01862	4.5
55.05512	2.4
57.03402	1.8
67.05506	3.4
69.03436	14.5
69.07075	10.3
69.84005	7.1
70.06599	3.6
71.04973	2.0
72.08150	1.9
79.05502	5.3
81.03406	5.4
81.07062	9.2
83.04984	2.8
84.08143	4.2
85.02911	9.4
85.06534	2.0
86.09692	5.4
87.00840	3.6
91.05504	9.8
93.07057	18.4
95.04998	2.2
95.08604	5.8
97.02873	5.5
97.06575	3.2
99.04459	4.1
105.01847	2.4
105.07033	20.7
107.04964	2.0
107.08615	16.9
109.02868	4.5
109.06508	5.2
109.10143	2.3
111.08135	2.1
115.05420	2.0
117.07045	2.3
119.08592	8.1
121.06529	13.8
121.10171	11.9
123.08076	4.2
123.11620	2.5
125.09612	4.3
127.03904	8.0
131.08563	5.9
133.10144	15.0
135.08043	7.2
135.11676	4.5
137.09581	2.6
143.08562	2.0
145.10117	6.9
147.08083	1.6
147.11714	28.7
149.09657	5.1
149.13261	5.9
152.68700	1.5
153.09183	1.8
159.03018	2.0
159.07962	1.4
161.09616	11.0
163.11171	9.8
163.14825	1.8
165.09105	2.2
173.13249	12.1
189.09044	3.1
191.10643	3.5
191.14323	100.0
209.15381	13.9
245.18813	1.7
260.15668	1.7
281.13809	2.2
302.85352	2.1
337.55942	1.6
457.14902	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	457.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03971	3.0
67.05505	3.4
69.03420	7.6
70.66318	5.9
78.68326	2.0
79.05483	6.3
81.07041	8.5
83.04962	3.5
85.02885	4.2
86.09705	5.2
86.53013	2.1
91.05477	6.9
93.07055	2.9
105.07043	11.8
107.04987	4.5
107.08602	17.4
109.02885	2.7
109.06516	4.6
109.10136	6.9
117.07024	2.8
119.08569	5.0
121.10149	9.6
122.07312	5.1
127.03928	2.7
131.08585	3.8
133.06490	2.5
133.10144	100.0
135.08057	6.1
137.09618	48.4
139.79488	2.5
141.01848	1.9
149.13248	10.3
161.09642	2.8
173.13261	6.1
191.14316	51.6
209.15347	2.7
278.02032	2.1
361.30362	2.6
446.24850	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	457.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03971	3.0
67.05505	3.4
69.03420	7.6
70.66318	5.9
78.68326	2.0
79.05483	6.3
81.07041	8.5
83.04962	3.5
85.02885	4.2
86.09705	5.2
86.53013	2.1
91.05477	6.9
93.07055	2.9
105.07043	11.8
107.04987	4.5
107.08602	17.4
109.02885	2.7
109.06516	4.6
109.10136	6.9
117.07024	2.8
119.08569	5.0
121.10149	9.6
122.07312	5.1
127.03928	2.7
131.08585	3.8
133.06490	2.5
133.10144	100.0
135.08057	6.1
137.09618	48.4
139.79488	2.5
141.01848	1.9
149.13248	10.3
161.09642	2.8
173.13261	6.1
191.14316	51.6
209.15347	2.7
278.02032	2.1
361.30362	2.6
446.24850	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	457.207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77111	0.8
53.03951	3.3
55.01866	3.3
55.05508	3.9
55.63043	0.8
57.03440	3.5
57.07077	2.3
59.04992	1.6
62.27021	0.9
66.45281	0.9
67.05512	6.0
68.99794	1.6
69.03430	24.6
69.07072	5.1
69.33356	1.3
69.33756	7.0
70.02967	1.0
70.06596	21.6
71.05002	2.4
72.08144	5.3
73.02901	1.5
74.06080	2.5
79.05499	4.8
81.03416	16.4
81.07056	8.2
83.04988	8.5
83.08608	2.0
84.04491	1.1
84.08159	4.7
85.02907	12.1
85.06527	2.7
86.09708	9.0
87.00832	5.0
91.05472	6.4
93.07031	6.4
95.04988	6.2
95.08620	9.5
97.02889	8.2
97.06541	2.6
99.04461	5.9
103.05483	1.3
105.01889	2.3
105.07018	8.4
107.08603	18.8
109.02881	16.7
109.06508	9.0
109.10190	4.4
111.08058	7.4
111.49306	1.0
115.05487	1.5
119.08603	4.6
121.06509	1.9
121.10149	14.7
123.08048	5.3
123.11728	2.4
125.09627	23.2
127.03918	16.2
129.10257	2.2
131.08563	7.3
133.06502	1.8
133.10149	8.9
135.08063	17.3
135.11655	5.4
136.07599	1.3
137.09639	1.7
141.07025	1.5
143.08568	2.5
145.04939	5.4
145.10155	5.4
147.06371	1.1
147.11710	3.0
149.09619	12.6
149.13272	5.4
150.10405	1.9
151.11224	1.9
153.09103	7.7
155.08205	1.3
158.10907	5.2
161.06012	3.2
161.09633	2.5
162.05595	1.0
163.11145	6.5
163.14795	6.2
165.12817	3.0
167.10692	9.3
169.06407	2.3
173.13257	22.6
175.14758	1.6
176.12047	1.2
183.14919	2.4
187.03951	2.3
191.14311	95.8
192.14658	2.0
197.06058	4.6
205.78117	1.1
209.15369	100.0
211.14468	2.2
225.05559	1.2
231.05008	10.0
231.17017	1.0
253.04994	4.6
295.06070	2.5
299.16367	1.3
309.07697	1.1
325.07117	2.9
344.18036	1.4
413.17822	4.8
439.19711	4.2
457.10080	2.1
457.16235	5.1
457.20871	7.8
457.26831	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.4
55.01875	2.2
55.05503	3.7
56.99883	0.9
57.03426	1.9
57.07069	1.4
58.15066	1.0
61.02918	1.5
65.03927	1.2
66.04764	1.2
67.05493	3.8
68.99787	1.4
69.03432	7.8
69.07059	4.4
70.06570	1.7
71.04989	1.5
71.22271	1.5
73.02894	1.1
79.05492	24.2
81.03423	7.5
81.07059	60.0
83.04993	4.4
83.08635	5.6
85.02907	14.3
85.06544	1.0
86.09679	0.9
87.00819	5.5
91.05457	4.0
93.07038	8.6
95.04965	5.5
95.08589	3.4
95.98127	0.9
97.02879	6.5
97.06534	3.3
98.93818	1.0
99.04443	3.8
103.04016	0.9
104.05264	1.1
105.01868	3.5
105.07031	4.9
107.08593	8.2
109.02894	6.9
109.06520	100.0
109.10174	5.2
110.06831	1.0
110.85274	0.9
111.08070	3.5
117.01838	1.2
117.07009	1.2
119.08573	4.4
121.10159	5.3
123.08076	3.2
123.11721	5.9
127.03926	10.0
129.01846	1.1
131.08562	3.6
133.10146	11.1
135.08069	5.7
137.05919	0.8
137.09581	1.5
139.07544	2.3
139.11189	1.5
145.04955	2.8
145.10130	1.7
147.02942	1.3
147.08092	1.7
147.11716	2.8
149.09631	1.7
149.13277	6.8
151.11203	2.0
153.09087	5.4
159.02882	1.6
167.14330	3.8
173.13271	9.8
191.14313	24.6
207.13945	1.1
209.15367	17.5
213.03874	1.2
225.52409	1.1
231.04956	1.9
287.11301	0.9
420.91190	1.0
457.16028	1.8
457.21271	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.8
55.01867	3.7
55.05499	9.5
67.05511	19.6
69.03436	16.4
69.07063	16.0
70.06598	7.3
70.92982	9.3
71.04992	9.0
73.02911	5.3
79.05485	12.9
81.03412	14.2
81.07055	27.1
83.04984	6.9
83.08614	5.8
84.08135	3.6
85.02905	26.3
85.06535	9.0
86.09707	5.3
86.33455	3.5
87.00828	14.3
91.05473	13.6
91.47219	3.5
93.07039	28.5
95.04989	7.0
95.08623	21.2
97.02893	12.5
97.06532	9.7
99.04434	5.6
99.28719	3.6
105.01873	8.9
105.07040	33.2
107.08601	26.4
109.02855	11.2
109.06523	100.0
109.10165	29.4
111.04468	4.1
111.11685	4.0
117.06992	4.8
119.08591	20.1
121.06481	5.4
121.10187	15.9
123.08055	13.6
123.11725	4.8
125.09619	3.6
127.03902	20.4
129.07094	3.2
131.08566	37.7
133.10136	89.2
135.07111	5.4
135.08052	50.8
135.11700	8.6
137.09601	8.5
138.05421	4.5
143.08502	6.6
145.04936	10.9
145.10136	14.0
147.11682	9.3
149.09644	16.0
149.13251	10.7
151.07587	4.0
151.11205	5.0
153.09122	5.4
157.10167	4.0
158.10912	7.3
159.02885	5.2
159.07954	3.8
159.11566	3.5
161.09595	9.2
163.14822	4.5
165.09082	38.6
169.10068	3.4
170.15399	3.8
171.11691	6.9
173.13286	58.0
175.11205	13.4
176.11568	8.5
182.15437	3.4
189.12772	5.6
191.14322	99.1
203.14357	4.0
209.15364	37.8
352.81427	3.1
439.31989	5.5
442.17697	4.7
442.97162	3.6
457.17078	18.4
457.33627	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	457.171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.5
55.01867	3.0
55.05522	5.4
57.03439	5.5
65.03921	1.9
67.05521	5.0
69.03135	1.1
69.03439	11.9
69.07059	3.3
70.06579	3.3
71.01360	2.3
71.04996	7.6
71.48891	1.2
72.08161	9.3
73.02920	2.1
79.05488	10.8
79.54672	1.0
81.03419	6.1
81.07050	6.7
83.01341	1.4
83.04988	4.3
84.08138	2.4
85.02913	17.6
85.06538	3.0
86.09712	26.2
87.00838	3.3
88.33844	1.1
91.05487	19.0
93.07041	16.7
95.01341	3.6
95.04974	4.7
95.08621	8.7
97.02888	7.1
97.06526	2.3
99.04462	13.7
99.08109	1.9
103.03923	1.1
103.05476	3.4
105.01861	1.7
105.07038	100.0
106.07342	1.4
107.04970	1.8
107.08608	15.9
109.02895	3.4
109.06523	23.4
109.10165	8.3
111.08125	2.3
113.02409	1.8
115.05461	2.8
116.06229	1.6
117.07021	6.3
119.08586	13.2
121.06483	5.7
121.10156	17.6
123.04424	1.4
123.08061	6.5
125.05998	1.1
125.09645	4.1
127.03933	8.8
128.06224	3.2
129.06996	1.4
129.10156	0.9
130.07777	1.6
131.08571	13.6
133.06503	8.6
133.10138	76.3
135.08066	12.7
135.11720	3.2
137.06003	1.2
137.09598	3.5
139.11215	2.4
141.01840	7.1
141.07063	2.5
143.07054	4.1
143.08589	8.6
145.04951	3.1
145.06480	2.2
145.10152	7.6
146.07253	3.2
147.04404	1.4
147.08055	3.5
147.11693	3.7
149.09633	4.7
149.13255	4.5
151.07591	5.6
151.11189	14.3
153.09084	1.3
155.08562	2.7
157.06546	1.7
157.10074	1.7
158.10927	1.6
159.02924	2.0
159.08052	6.0
161.09625	75.2
162.10004	1.4
163.11223	8.5
163.14824	2.9
165.09215	1.2
165.12790	2.3
168.09384	1.2
169.10089	1.4
171.08028	5.2
171.11633	2.0
173.08127	8.5
173.09657	3.1
173.13249	8.4
175.11247	1.7
177.08923	1.1
179.08565	0.9
179.09203	1.1
179.10626	7.1
181.06578	0.9
181.10085	1.3
183.08109	2.3
185.09659	2.1
185.16499	3.9
187.07597	2.2
189.09126	28.5
191.14317	38.4
197.05896	1.3
199.07541	1.9
199.11081	1.1
199.18028	2.7
201.09105	2.0
207.10144	9.8
209.04494	2.3
209.09644	2.1
209.15373	22.9
209.17361	1.2
210.15746	1.4
211.11238	2.8
213.16002	3.9
215.07176	1.8
225.10890	0.9
227.07043	1.6
227.10658	1.7
227.17587	2.9
231.16977	1.8
235.13200	2.7
237.09128	1.1
239.10721	2.3
241.08214	1.0
244.10985	3.0
245.08124	2.0
245.18593	2.9
253.14369	13.2
255.10310	2.8
263.12833	12.9
267.10483	1.2
273.11261	3.1
281.13834	13.9
283.09662	1.8
295.06143	2.3
295.09589	1.1
301.10693	3.5
319.11749	4.8
337.12863	5.6
347.11276	2.5
365.12344	5.1
369.17242	1.0
425.52600	1.3
439.20453	2.3
454.79504	1.3
457.16074	1.8
457.24554	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03969	0.5
55.01883	1.6
55.05517	1.0
55.61709	0.5
57.03426	0.5
57.07077	0.5
59.04996	0.9
61.02924	1.2
65.03609	0.9
65.03945	13.3
66.92236	0.4
67.05503	1.7
68.99794	2.6
69.03426	1.7
69.07062	1.1
69.29301	4.5
70.06604	1.5
71.04980	0.5
72.08168	1.3
73.02901	0.6
74.48966	0.5
77.03950	0.6
79.05478	2.3
81.03410	0.7
81.07056	1.8
83.05014	0.6
84.08109	0.6
85.02921	2.8
85.06538	0.7
85.22623	0.5
86.09722	0.6
87.00853	0.9
91.05487	100.0
92.05827	1.1
93.03415	9.9
93.07062	1.9
95.04966	1.6
95.08607	1.4
97.02906	4.8
97.06522	0.7
99.04425	0.8
103.03967	0.7
103.05479	2.0
105.03387	1.0
105.07037	15.6
107.04962	0.7
107.08591	1.4
109.02882	0.8
109.06520	1.6
109.10159	1.6
111.04467	0.4
115.05445	3.1
117.07056	1.0
119.04974	1.9
119.08613	1.5
120.08052	0.5
121.06407	0.4
121.10158	1.3
123.04483	0.7
123.11667	0.6
125.09639	0.8
127.03957	1.1
128.06264	0.9
128.83067	0.5
129.01846	1.5
129.06975	0.7
131.04941	2.0
131.08589	0.6
133.06514	2.2
133.10144	2.4
135.04375	0.7
135.11763	0.6
137.09660	1.4
141.07053	1.1
143.04964	2.9
143.08563	0.8
145.06529	1.0
145.10155	1.3
147.04449	1.8
147.08090	0.5
147.11734	1.0
149.02368	1.2
149.09682	0.6
151.07564	0.7
155.04965	2.0
157.10132	0.7
158.27017	0.5
159.03098	0.5
159.04445	1.5
161.02365	1.2
161.05984	3.2
161.09615	3.1
163.03967	0.6
163.11201	0.9
165.07010	1.4
165.09108	2.3
165.90140	0.5
167.03474	1.4
169.06558	0.8
173.02406	1.9
173.09666	0.7
173.13368	0.6
175.03961	1.7
178.07761	3.1
179.03397	6.4
179.08583	1.5
181.06470	0.6
185.06018	0.5
186.03172	1.9
187.03900	4.4
188.04800	0.8
189.05513	1.3
189.09091	0.9
191.03394	4.2
191.07037	0.8
191.08598	0.6
191.14326	1.2
193.05003	0.7
193.10191	1.2
197.04544	1.9
197.06123	0.7
199.03993	1.1
201.05490	2.8
202.07884	0.7
203.03419	2.7
203.08641	1.3
204.04199	1.7
205.04993	2.5
211.04028	0.6
213.05609	0.7
215.03395	8.1
217.05061	1.3
219.06612	1.2
221.09628	4.4
227.03497	0.8
229.04984	2.7
233.04445	10.0
233.09622	0.9
235.07556	0.6
236.08307	1.1
239.03351	0.6
239.07028	8.6
244.03842	2.3
245.04501	4.7
249.09206	0.9
251.07085	2.2
253.08624	0.6
257.04541	9.9
257.08179	8.5
262.04797	0.5
263.05460	0.8
263.16486	0.5
265.08606	1.6
267.06653	1.0
269.08127	1.6
275.05392	4.9
279.10156	4.8
281.08087	3.0
289.08722	1.5
291.06531	0.5
293.08109	14.7
307.09720	3.2
311.09158	2.7
317.08081	9.3
323.09106	3.9
325.07257	0.8
335.09140	56.8
336.09634	2.0
343.04755	0.7
353.10190	13.5
361.05591	1.0
371.11533	1.5
403.07904	0.6
421.09186	3.2
439.10287	7.5
439.15817	0.9
457.11246	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
55.01855	1.4
55.05502	0.7
63.06005	0.8
69.03419	1.3
69.85394	3.9
70.06596	16.2
71.25778	0.7
72.08145	3.3
79.05476	0.7
81.03382	0.9
83.04935	1.1
84.04487	1.3
84.08140	2.7
85.02917	1.3
86.09714	5.4
89.03913	1.2
91.05483	1.2
95.08630	1.0
99.00818	0.9
100.11227	1.4
101.14925	0.8
105.03397	1.1
105.07043	1.7
107.08578	0.9
109.02885	1.8
109.06505	0.9
110.07160	2.2
112.08710	1.1
117.03377	1.4
120.08082	0.9
121.10120	1.2
123.04428	2.7
125.09667	2.0
127.03882	1.0
133.02837	2.7
133.06464	1.4
133.10089	0.8
134.03589	1.4
135.04391	2.2
137.02377	7.5
137.03348	1.3
141.07016	1.9
145.02824	2.0
147.04352	1.3
149.09547	0.8
153.06979	1.2
154.02597	0.8
159.04401	0.9
161.02351	2.9
161.05983	2.7
162.03160	2.0
163.03906	13.9
165.07002	12.6
167.10660	0.9
169.06462	2.1
169.13354	1.6
169.78845	0.9
173.02280	4.8
177.07051	1.3
183.08110	1.4
183.14851	1.3
187.03844	4.0
191.14346	3.8
193.06471	9.3
197.05974	3.4
197.12875	1.5
197.31902	0.8
205.06451	3.4
209.15379	4.4
211.07512	4.5
211.14278	1.5
213.01865	2.8
221.05984	43.8
222.06406	1.5
223.07492	1.4
225.05444	4.8
231.02866	2.8
233.06075	1.9
237.05634	1.5
239.07057	12.9
249.05487	64.0
250.06160	3.1
251.07149	2.0
253.04915	4.7
259.03879	1.8
259.14371	1.2
261.14233	1.1
266.05713	0.9
267.06506	12.7
267.09100	1.2
271.94235	0.9
277.04984	34.3
278.05734	4.9
279.06537	8.4
281.04517	2.2
295.06033	100.0
296.06339	2.3
297.07562	1.0
305.04367	4.1
305.46140	0.8
323.05521	76.1
324.05954	1.5
341.06586	23.4
342.07019	1.1
358.19839	1.4
369.84604	0.8
405.81570	0.9
419.46228	0.9
439.06805	0.9
439.28082	1.7
450.70065	0.9
457.07675	23.2
457.16721	1.4
457.26627	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.0
55.01874	2.4
55.05509	2.2
57.03445	1.1
57.07074	13.4
59.05004	100.0
63.54770	1.0
65.03928	2.9
67.05500	2.0
69.03149	0.8
69.03436	8.9
69.07021	1.4
70.06575	3.9
70.83533	1.8
71.04972	1.1
72.08163	1.7
73.02899	1.6
75.31554	1.0
81.03416	5.4
81.07040	1.5
84.08128	3.0
85.02905	19.2
86.09706	2.1
87.00823	8.4
91.05484	15.5
93.03392	1.3
93.07027	1.2
95.04938	1.2
95.08600	2.4
97.02892	5.7
97.10165	1.2
99.04437	4.5
103.21671	0.9
105.01846	6.5
105.07034	4.6
109.02888	5.2
109.10196	1.6
115.11214	29.4
117.09108	1.3
120.08131	1.2
121.51666	1.1
125.09602	1.2
127.03930	8.8
129.01843	1.6
133.10101	1.9
145.04950	3.0
159.02905	2.9
173.15379	7.3
178.07748	1.0
191.03423	1.0
191.16432	52.9
208.07843	1.5
231.05025	2.3
233.04454	1.9
239.07079	1.3
257.04620	1.4
293.08023	3.4
335.09174	7.5
353.10217	1.9
413.10715	1.1
456.21658	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59520	1.6
55.05513	6.5
57.07073	4.2
57.55096	1.7
60.37669	1.6
67.05509	12.3
69.07071	11.0
69.73209	3.0
69.73617	7.6
74.03286	1.5
77.43125	1.8
79.05491	7.5
81.07055	14.7
83.04994	1.7
83.08624	7.2
91.05492	8.6
93.07047	17.1
95.05016	2.0
95.08611	38.4
97.06535	1.5
97.10148	2.6
98.21590	2.5
99.04450	2.0
105.07038	13.4
107.08599	42.9
109.10168	18.6
111.08082	2.6
115.96603	1.4
117.07030	2.6
119.08595	23.9
121.06588	2.1
121.10153	29.7
123.08066	1.8
123.11734	7.0
123.97388	1.6
125.09639	5.9
131.08600	4.4
133.10136	18.7
135.08029	1.8
135.11703	14.6
137.09605	2.3
137.13272	2.4
145.10182	13.8
147.11713	12.4
149.09695	2.1
149.13263	9.8
151.11218	2.3
155.10745	1.9
156.09564	1.9
159.11710	11.7
161.13235	8.0
163.11234	11.3
163.14760	7.7
171.11699	2.9
173.13255	4.2
175.14798	14.7
177.16396	25.5
185.13306	2.4
187.14824	14.7
189.16415	12.9
191.17940	7.9
201.16379	4.1
203.17978	29.7
205.15895	100.0
205.19539	5.2
207.17435	5.0
213.16458	2.3
215.14255	2.3
215.17964	5.0
217.19577	2.0
219.17467	2.5
225.16391	1.6
249.18512	7.8
261.18518	2.1
295.24271	4.5
313.25232	8.6
347.42096	1.7
409.34717	31.7
437.34286	11.1
455.35593	12.4
483.52014	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	455.3524
Annotation	Oleanonic acid
Peak:m/z	Relative Intensity
52.20308	2.5
55.05509	8.1
55.91271	2.8
57.03431	7.4
57.07078	18.8
57.07307	2.9
67.05505	14.3
69.07073	18.6
69.80301	14.9
71.08630	7.8
72.08971	2.8
79.05500	7.4
81.07057	35.6
83.08625	7.7
85.10154	3.5
91.05476	9.8
93.07051	26.2
95.08606	54.8
96.08933	4.4
97.10185	3.6
104.44894	3.5
105.07027	24.8
107.08604	49.6
109.10172	32.8
109.23771	2.8
119.08569	29.1
121.09344	3.9
121.10146	46.6
123.11702	11.2
131.08569	9.9
133.10141	39.2
135.08066	3.5
135.11700	22.2
145.10101	14.7
147.11711	21.6
149.09619	3.8
149.13257	19.5
153.09114	4.0
156.13071	3.1
157.10176	5.1
159.11684	12.8
159.22844	2.6
161.13272	20.8
163.11163	6.9
163.14767	16.1
173.13274	11.8
175.14804	23.2
177.16379	33.1
187.14871	16.2
189.16393	36.1
191.18001	6.7
201.16351	10.5
203.17972	84.7
205.15898	57.3
205.19579	5.3
213.16435	3.5
215.17953	9.0
217.15964	3.2
217.19588	5.0
219.17421	4.2
227.17998	4.8
233.19014	4.5
249.18457	11.4
282.53369	3.2
313.27414	7.3
314.27667	59.2
391.33563	6.7
409.34634	100.0
410.35095	2.9
437.34418	17.2
455.35535	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.9
56.05036	4.5
57.07080	0.9
65.03942	0.9
67.05505	8.7
69.03420	1.0
69.07059	2.8
70.06597	9.1
72.08162	1.8
74.02466	1.3
79.05507	1.1
80.05034	1.1
81.03419	0.8
82.06586	12.4
84.04510	1.0
84.08149	100.0
85.02914	1.6
85.04032	13.9
85.06554	1.3
86.09715	1.7
91.04945	0.5
91.05482	15.4
93.07021	1.3
94.06557	1.0
95.04983	2.3
96.08141	2.0
97.04018	2.2
98.06066	1.3
98.20793	1.8
100.07634	2.2
103.05489	5.9
105.07041	2.2
106.06566	4.5
108.08118	1.3
110.06050	9.1
110.07195	1.3
111.09245	4.0
111.65987	0.8
112.07642	5.1
113.03492	9.1
115.05453	1.0
117.05752	1.2
117.07014	1.2
118.06551	18.8
119.04942	2.3
119.07334	3.5
120.08113	46.3
123.04443	2.6
124.07567	1.1
125.82468	0.8
127.08709	6.9
128.04993	2.9
128.07094	1.0
129.10255	8.4
130.06525	3.2
132.08113	1.0
134.09720	0.9
136.07558	4.1
138.07860	1.8
139.08669	7.9
141.10275	2.0
144.08090	1.5
145.07623	2.0
146.06021	22.0
146.98517	0.9
147.04453	1.5
151.08687	9.1
155.08186	8.2
158.06032	3.5
163.03949	1.6
164.07030	0.9
165.05499	2.1
167.08319	1.8
169.09790	9.1
172.11263	1.0
173.07065	5.6
174.12761	0.9
179.08162	16.1
184.11176	1.8
186.12549	5.4
187.08783	2.1
195.07892	1.0
197.09647	1.0
201.06599	7.3
201.13895	2.4
212.10800	1.3
214.12286	2.8
215.08110	2.8
224.10641	1.7
229.13347	14.1
230.16365	0.9
233.31299	1.0
239.11942	1.0
256.14569	1.3
257.10074	1.3
257.10797	0.8
257.12869	43.9
270.11285	6.8
274.15518	72.7
275.16049	1.6
329.08398	0.8
353.56528	1.0
363.17096	0.9
392.20007	1.4
410.20776	5.1
411.12784	1.6
438.20477	1.4
455.11664	5.0
455.22931	93.0
456.23218	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	455.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.3
55.05489	0.7
56.05038	3.2
57.07074	0.3
64.47407	0.3
65.03941	0.8
67.05511	2.2
67.75431	0.2
69.03418	0.6
69.07069	1.3
70.06588	2.6
71.05003	0.3
71.06115	0.5
71.47385	0.5
72.08144	0.8
77.03910	0.3
77.81203	0.3
79.05473	0.5
81.03406	0.6
81.07048	0.3
82.06580	2.6
83.05004	0.3
84.04505	0.7
84.08145	100.0
85.02894	0.8
85.06554	0.9
85.08473	0.7
86.09715	1.5
87.87963	0.3
91.05484	20.9
93.07050	0.6
94.06607	0.6
95.04994	0.7
95.08620	0.5
97.02934	0.3
98.06024	0.4
98.09706	0.3
99.01948	1.0
100.07628	0.9
101.10779	3.0
102.09152	0.3
103.05476	3.4
104.05009	0.3
105.03379	0.4
105.07069	0.5
106.06567	0.4
107.04964	1.8
109.02841	0.3
109.06573	0.4
110.06049	2.2
110.07162	1.1
111.09199	3.0
112.07626	1.6
117.05783	1.6
117.07048	0.2
118.06548	62.7
119.04977	3.0
119.05740	0.4
119.06021	0.3
119.06583	0.4
119.07349	9.0
120.08113	9.8
121.06512	1.5
123.04463	0.9
124.07610	0.6
127.03889	0.5
127.08678	2.5
128.07072	0.4
129.10243	30.3
130.06522	0.5
130.07755	0.4
130.08603	2.0
131.04893	1.4
131.08549	0.4
133.10240	0.3
134.06017	0.5
135.06812	1.5
136.07585	11.2
137.02370	0.4
139.08664	1.3
141.06981	0.4
146.06012	98.9
147.04405	1.0
147.06361	0.9
147.11269	2.3
148.07576	0.5
150.09235	0.4
151.03922	0.3
151.08661	0.5
152.07167	0.4
155.08160	11.7
161.13203	0.3
162.05521	3.8
163.08690	0.5
164.07080	0.5
165.05446	1.5
167.08510	0.3
170.08105	0.3
173.09210	0.4
174.05539	0.8
175.03828	0.3
179.08113	0.4
182.08124	1.5
184.11243	0.7
187.03912	0.3
189.12645	0.4
201.13872	0.3
201.62148	0.3
202.12279	0.9
207.08147	0.4
207.09929	0.4
207.13773	0.4
217.13429	1.8
223.07709	0.3
229.13350	1.9
236.10741	0.7
245.12930	1.5
246.15797	0.4
247.14275	0.4
251.15263	0.4
255.11324	0.4
256.14462	0.8
257.12863	2.9
270.11295	0.3
273.12329	3.9
274.15497	12.8
282.11255	0.3
290.15002	9.5
292.16513	1.4
293.14862	2.7
310.17612	21.9
311.17847	0.5
318.14313	0.4
319.13034	1.4
323.05301	0.4
336.15570	8.8
337.77097	0.3
341.06635	0.3
369.15317	0.4
393.18524	0.3
409.22098	0.3
410.20773	2.2
411.16290	0.8
427.23486	1.1
437.21899	1.2
438.20004	2.0
455.16245	1.5
455.22934	41.0
456.23428	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46698	0.4
55.01873	3.3
55.05499	1.4
56.96565	0.6
57.78137	0.4
58.06609	4.9
63.98508	0.4
70.06593	4.5
70.93608	1.0
72.08158	28.2
84.04501	1.4
84.08143	2.0
85.02883	0.6
85.08916	0.7
86.06064	0.8
86.09691	0.6
89.03916	1.6
98.06052	1.6
98.09740	0.4
98.97580	0.9
100.11259	46.9
101.11575	0.7
107.04919	0.6
110.07158	1.9
114.09212	1.3
117.03440	1.0
117.13929	2.2
119.04948	0.6
121.02872	0.9
123.04395	0.8
126.09131	2.3
127.53060	0.4
128.95590	0.4
135.04396	2.2
136.07564	1.1
145.02824	1.2
147.04428	2.0
149.02338	2.6
149.05959	1.2
151.03905	0.9
156.87245	0.4
163.03908	10.5
164.04242	0.6
167.03406	12.0
175.03949	2.4
177.05499	2.4
187.03876	0.5
189.01863	1.2
189.05481	1.7
191.03397	3.1
201.01811	0.6
203.03456	1.6
203.07092	0.7
205.05009	3.2
206.47476	0.5
207.06703	0.5
208.92809	0.4
213.05426	1.0
215.03380	1.0
217.04955	1.2
219.02959	0.6
221.03006	1.6
223.02620	0.4
229.01390	0.8
229.04901	0.6
231.02940	1.5
231.06441	2.1
233.04410	4.8
241.04967	0.7
245.04530	0.6
247.06163	1.0
251.05568	2.4
259.05957	2.2
261.04019	1.7
275.05612	0.8
279.04993	2.6
285.04062	0.7
286.10809	0.6
295.08337	0.6
297.06064	4.4
302.10541	0.4
303.04962	2.0
304.11887	0.8
314.69510	0.5
321.05939	1.4
349.17651	2.7
349.21463	0.5
364.14001	0.5
392.13309	1.3
393.20114	0.5
409.19788	2.0
410.14377	4.1
411.13242	0.5
414.85477	0.5
437.19104	3.7
455.20255	100.0
456.20486	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	455.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06947	0.6
53.03937	2.4
55.05503	2.5
67.05525	1.3
67.35420	0.8
69.03436	10.4
69.07059	2.3
70.06585	2.6
70.93584	1.8
71.04981	0.7
79.05495	8.9
81.03417	4.8
81.07040	1.1
83.04999	5.0
85.02922	4.1
87.00816	1.5
91.05482	2.2
93.07053	1.7
95.04965	2.2
95.08598	1.9
97.02889	1.9
99.04476	1.5
103.05486	4.0
105.01883	1.2
105.04538	0.8
105.07038	6.4
107.04983	0.8
107.08600	7.0
109.02880	2.2
109.06528	1.2
110.11527	0.7
117.07028	0.9
119.08607	5.7
121.06504	5.6
121.10155	3.3
123.08035	1.4
127.03941	3.8
131.08571	3.3
133.06503	100.0
133.10130	3.3
135.08060	6.1
143.08560	1.6
145.04918	1.1
145.10143	2.2
147.08047	2.0
147.11681	2.4
149.09682	2.0
149.13258	1.2
158.10963	3.1
159.02904	0.9
159.08109	1.6
161.09631	2.2
163.11177	5.2
173.13322	5.0
174.10376	0.8
189.12770	17.7
191.14322	51.3
207.13811	17.8
217.74258	0.7
223.16286	1.0
298.56891	0.8
405.81097	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79909	4.5
53.03949	9.0
55.01872	7.8
55.05519	24.5
56.05038	5.9
57.03441	9.1
59.05009	15.7
67.05508	22.8
67.83707	4.8
69.03435	47.2
69.07075	11.6
70.06596	72.0
71.04994	16.8
71.49202	5.6
72.08148	16.3
74.06054	6.2
79.05488	14.6
81.03422	29.8
81.07058	14.5
83.04994	14.8
84.04501	10.2
84.08150	68.9
85.02907	30.4
85.06560	12.4
86.06070	7.5
86.09695	29.7
87.00826	14.2
89.06027	6.8
91.05473	40.8
93.07034	19.8
95.04954	12.2
95.08611	50.9
97.02878	11.6
97.06520	6.5
98.06083	10.8
99.04450	7.9
103.05508	9.9
105.01863	6.8
105.07027	32.2
107.08605	19.2
109.02905	24.1
109.06517	11.1
109.10158	9.2
110.07158	11.4
111.57439	5.6
112.08743	5.5
113.06035	5.3
117.07008	9.6
118.06553	25.8
119.08576	25.4
120.08112	19.4
121.06491	9.0
121.10149	19.5
123.04451	6.6
123.08073	18.9
125.09602	9.1
127.03944	23.2
129.09291	4.9
129.10266	20.3
131.08557	16.3
133.06500	26.3
133.10139	20.6
135.04474	5.2
135.11676	11.1
136.07582	15.6
137.09631	22.1
143.08482	5.1
145.10129	13.8
146.06033	44.1
147.08035	12.3
147.11688	19.2
149.08496	7.6
149.09610	53.9
152.07079	4.9
155.08264	5.6
156.09398	11.0
157.10089	5.7
157.92513	4.9
159.02934	6.2
159.08081	15.9
159.11722	7.4
161.09610	9.7
161.13271	18.0
163.11249	13.0
164.75642	4.4
165.29144	5.6
171.11742	11.0
173.09731	7.6
174.10390	30.3
183.14879	5.8
187.11148	5.4
189.12749	100.0
191.14227	23.4
207.10060	6.9
207.13829	73.9
207.15965	14.5
208.14934	4.8
275.13968	6.2
276.00168	5.0
293.14697	6.7
310.17551	10.6
341.02802	5.2
362.15973	6.1
369.14780	6.4
437.18301	5.8
455.14313	10.1
455.19531	8.0
455.23434	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	455.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
65.06928	0.9
70.50787	1.3
70.51128	1.8
91.58075	0.8
93.32250	0.8
104.47694	0.9
112.89604	2.4
113.96597	0.9
123.65112	1.1
129.58084	1.0
190.59424	0.9
203.72220	1.0
351.80411	1.0
393.63367	1.1
455.11642	100.0
456.12009	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	455.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08662	1.0
67.47016	1.0
70.06596	1.8
71.47820	1.6
72.08167	5.7
98.97563	1.1
100.11266	9.4
101.00886	2.8
110.01414	1.3
110.30607	0.9
112.89630	2.1
113.00874	2.0
119.01907	3.1
122.01373	5.3
127.03882	1.1
131.01907	4.9
137.01944	4.6
143.01920	10.6
143.51915	1.5
145.03490	2.6
149.01945	2.5
152.02365	1.7
155.01901	4.1
157.03465	1.8
161.02969	3.3
164.02383	1.4
167.01997	2.2
167.03430	2.7
173.03001	10.6
173.53096	1.3
179.01942	1.4
185.02971	5.1
197.02956	2.8
200.66525	1.0
203.04033	12.3
203.54147	1.7
212.04424	1.0
214.60501	1.0
215.03882	1.6
224.04575	4.5
227.04021	1.5
235.06766	1.0
239.02049	1.0
245.05080	14.1
254.05833	1.0
263.06210	2.0
275.06149	1.8
284.06656	1.4
297.05905	1.3
305.07272	1.7
321.10187	1.4
337.09802	3.9
365.09222	3.7
411.95035	1.3
455.11566	100.0
455.20224	18.5
456.11792	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2931
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
55.01863	0.4
55.05508	4.4
55.46356	0.4
57.03445	8.0
57.07079	24.7
66.38706	0.5
67.05506	5.2
69.07070	4.8
71.05000	0.5
71.08634	15.5
79.05486	0.9
81.07056	7.6
83.05019	0.5
83.08248	0.5
83.08628	5.1
83.58499	0.4
84.19410	0.4
85.10188	9.3
89.06013	1.7
91.84811	0.4
93.07032	0.9
95.08612	9.5
97.10159	2.7
98.98470	0.6
100.11269	0.5
103.07575	1.2
103.55470	0.4
105.06976	0.6
107.08608	1.0
109.10163	5.1
110.33030	0.4
111.11652	0.6
117.09109	0.5
119.08588	0.7
121.10136	1.6
122.73714	0.6
123.11684	2.4
124.01610	0.6
124.63924	0.4
125.13258	0.5
133.10066	0.6
135.11682	0.9
147.11705	1.0
149.13271	0.6
151.14713	0.8
152.69344	0.5
163.14856	0.6
177.16290	0.7
187.14732	0.6
189.16318	0.8
201.16476	0.6
203.17943	1.5
205.15904	0.7
210.29277	0.4
239.23770	1.8
257.24756	2.2
282.28027	3.5
313.27374	100.0
314.27710	1.8
408.33344	0.5
409.34772	1.5
454.33847	1.0
456.91327	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2931
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
55.05502	2.2
57.03437	4.6
57.07080	19.3
60.23603	0.9
62.06093	22.9
65.67938	0.8
67.05511	3.9
67.05806	0.8
69.07069	4.1
71.08634	13.8
79.05489	1.2
81.07044	4.7
83.08620	4.6
83.69749	0.8
85.10183	9.2
95.08615	9.2
97.10145	1.4
98.98479	6.0
109.10158	3.2
123.11684	1.6
124.01585	1.0
142.02676	1.7
155.01079	5.4
167.25528	0.8
173.02129	1.1
198.05211	1.3
208.51897	0.7
216.06302	3.2
239.23642	1.9
277.87143	0.8
282.27863	10.0
295.13333	0.8
313.27380	100.0
314.27667	1.8
324.76028	0.9
382.07758	1.0
393.24011	5.1
436.28046	2.7
464.87064	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61021	12.4
53.16840	12.3
57.07080	14.8
67.05495	23.0
69.03428	33.2
69.07066	39.3
69.46232	66.8
69.46644	19.4
70.06605	94.7
71.04971	15.6
72.08156	20.2
74.06077	12.1
79.05501	20.0
81.03419	33.0
81.07058	50.2
82.07402	16.6
83.08630	15.4
84.04522	24.8
84.08129	81.2
85.02901	51.1
85.06535	20.0
86.09716	71.9
87.00814	12.6
88.97980	12.5
91.05492	31.3
93.07049	18.6
94.30905	11.8
95.08613	24.6
97.02867	24.6
97.06544	37.0
98.21500	16.3
99.08108	43.2
101.10782	13.0
103.64861	12.4
105.01873	22.3
105.07030	27.0
107.04996	20.9
109.02869	14.1
109.10165	39.5
110.07168	18.4
112.43488	11.3
115.07595	18.5
120.08125	45.6
125.09577	13.3
127.03932	32.6
127.11201	31.4
129.10229	21.9
131.22392	13.9
136.07549	17.2
137.88582	12.9
140.12085	12.0
151.40831	12.1
153.12773	25.1
155.14302	42.6
164.07080	19.7
171.13829	30.4
188.01691	14.3
189.02217	14.4
189.11163	25.3
190.03204	17.3
191.03642	13.7
205.02077	16.1
213.10318	16.9
235.02429	17.6
291.04373	31.4
292.04697	33.6
298.78210	17.7
315.13254	13.4
362.28174	14.5
436.19025	30.0
454.19986	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	453.336
Annotation	Stellettin J
Peak:m/z	Relative Intensity
51.59589	6.5
55.05508	23.3
59.05046	6.1
67.05511	35.2
69.07063	26.3
70.06606	14.6
71.48140	9.7
76.67760	6.6
79.05484	29.9
81.07068	80.2
83.04980	17.9
83.08652	18.2
84.08170	9.6
91.05471	36.9
93.07058	58.5
95.05002	9.7
95.08616	81.2
97.10198	9.3
100.11263	13.8
105.07053	73.4
107.08608	87.2
109.06512	13.7
109.10170	49.3
117.07043	6.6
119.08594	100.0
121.10131	61.0
123.08099	13.4
123.11692	17.1
125.09639	13.7
127.03870	7.8
129.07018	13.5
131.08583	37.7
133.10143	70.1
135.11702	33.9
143.08577	20.1
145.10109	75.6
147.11720	39.3
149.09631	14.3
149.13297	13.7
151.11186	7.8
153.09161	8.6
157.10121	17.6
159.11734	58.4
161.13281	24.4
163.14833	15.2
171.11719	14.7
173.13275	37.7
175.14830	29.7
177.16382	27.8
183.11815	8.9
187.14821	46.1
189.16411	69.1
191.14305	19.3
191.17981	9.0
199.14853	16.3
201.16415	78.4
203.17964	24.1
205.15904	19.8
213.16411	35.5
215.17963	40.7
217.15967	13.1
219.17439	44.1
227.18002	8.4
235.16949	19.9
241.19519	10.0
247.17082	8.9
255.21043	10.3
261.18665	8.0
389.32010	14.4
406.25607	7.8
407.33127	54.2
435.32608	19.6
453.33911	54.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.0
55.05521	16.6
57.07063	6.7
58.05882	3.3
67.05505	28.6
69.07066	22.4
69.63261	3.7
69.67703	3.0
71.09174	8.6
79.05504	21.6
81.07056	58.4
83.04968	13.7
83.08617	16.6
87.28286	3.2
91.05468	27.6
93.07047	50.6
95.04964	5.6
95.08611	74.0
97.06533	4.8
97.10186	3.2
98.93262	3.3
104.18102	3.1
105.07032	67.7
107.08600	71.9
109.06532	4.7
109.10153	43.1
111.08095	6.6
117.07032	8.4
119.08587	100.0
121.10148	63.9
123.08056	7.5
123.11702	22.4
123.47546	3.3
125.09621	10.0
126.83137	3.4
129.06996	6.5
131.08585	33.0
133.10132	64.5
135.11690	24.6
143.08527	11.5
145.10126	74.7
147.11693	42.1
149.13252	15.3
151.11156	5.1
157.10107	17.2
159.11693	56.6
161.13274	31.0
163.14751	18.8
165.12859	5.2
171.11684	10.6
173.13281	30.9
175.14825	28.3
177.16356	21.4
185.13155	7.0
187.14839	45.5
189.16393	61.3
191.14342	22.5
191.17955	18.5
193.15923	5.0
197.13196	4.7
199.14816	17.5
201.16399	84.7
203.17973	29.3
205.15948	19.3
207.17424	6.5
213.16403	34.5
215.17964	31.6
217.15872	14.5
217.19511	5.5
219.17474	41.5
229.19525	6.9
231.17413	6.3
233.18878	6.1
235.16957	17.2
239.18059	5.3
241.19637	7.9
243.21111	8.8
247.16818	7.1
255.21106	6.4
259.20532	4.6
261.18546	7.5
267.21075	12.6
328.72174	3.4
389.32065	14.4
407.33154	63.1
409.34906	5.9
423.32465	6.7
435.32425	15.2
453.28220	3.9
453.33777	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	453.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32728	0.6
55.01860	2.3
55.05497	2.6
56.05025	0.8
60.62474	0.5
61.02929	0.8
67.05503	1.1
69.03431	23.8
69.07065	2.3
70.06603	4.6
71.04964	1.0
71.48882	0.7
72.08142	2.4
77.64739	0.7
79.05492	0.8
81.03405	1.5
81.07048	2.5
83.04972	1.9
84.04499	0.7
84.08151	1.7
85.02909	5.7
85.06538	4.0
86.09697	3.6
91.05486	1.9
92.97047	0.7
93.07023	1.8
95.04990	1.5
95.08620	1.0
96.11584	0.6
96.22208	0.6
97.02907	1.8
99.08079	1.8
100.11238	1.1
105.07031	1.2
107.08601	3.0
109.01070	0.7
109.02918	1.0
109.10151	1.3
110.07182	1.5
111.08080	1.8
113.09634	1.8
115.07597	0.9
120.08116	1.7
121.10166	0.8
123.11685	0.8
125.09636	100.0
126.09959	1.6
127.03926	1.6
129.10239	1.2
133.10155	1.3
135.11714	0.8
136.07568	0.6
145.05011	0.7
145.10112	1.3
147.04439	1.8
147.08083	0.6
159.11728	0.8
163.95978	0.8
190.03345	0.8
201.16234	0.7
205.01822	0.8
206.02704	0.8
216.01163	1.2
233.01556	1.0
234.02237	1.5
237.18517	7.8
255.19556	5.4
257.40924	0.7
273.20587	7.5
291.04330	2.9
291.21799	1.8
301.06067	1.3
303.06546	1.3
319.03625	0.9
350.03464	0.9
357.07623	0.9
453.11319	1.5
453.21402	1.0
454.18314	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.1
55.01874	3.6
55.05516	5.7
57.03451	2.7
57.07093	2.8
58.99590	4.5
61.02935	4.3
66.42310	2.3
67.05503	6.6
68.12414	2.7
69.03434	21.7
69.07076	100.0
69.31705	20.1
70.06594	13.0
71.05000	32.4
73.02900	3.8
73.06561	7.1
79.05496	9.1
80.94753	2.1
81.03437	15.0
81.07064	57.3
83.04978	3.2
84.04536	3.2
84.08162	6.9
85.02913	65.9
85.06549	4.9
86.09725	7.7
86.99058	7.7
87.00830	21.3
88.02204	2.4
88.04002	2.8
90.03790	7.8
91.05489	5.5
92.15366	2.0
93.07046	4.4
95.08600	4.7
97.02900	21.2
97.06523	4.4
99.04465	7.0
102.05532	5.4
105.00116	12.4
105.01873	44.1
105.07038	6.5
107.08630	3.9
109.02896	15.1
109.06522	3.7
109.10181	8.9
120.08125	3.0
121.06570	2.3
123.11742	8.6
127.03928	53.7
133.06493	3.4
134.02718	6.2
135.11749	2.5
136.04288	64.7
137.05980	3.0
145.04980	27.6
147.04419	2.7
149.06004	2.9
150.06653	3.2
151.11214	13.7
159.02890	9.7
169.12251	53.7
187.13364	3.6
189.03909	3.3
191.07446	4.8
193.08633	13.1
209.08176	3.1
210.08492	5.1
211.09750	21.7
231.05002	17.6
249.06128	9.4
272.16986	3.0
290.14618	4.2
290.17859	74.1
452.17694	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	452.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.3
55.01866	4.4
55.05504	9.7
56.05032	4.6
57.03434	4.3
57.07068	2.5
60.11195	2.2
65.03943	3.2
67.05502	14.8
69.03426	15.4
69.07076	8.2
69.43618	1.8
69.43909	16.8
69.89365	1.9
70.06596	29.6
71.05001	8.4
71.06920	2.4
72.05268	2.3
72.08158	4.9
73.02895	2.8
77.81633	2.1
79.05485	8.1
81.03422	10.3
81.07063	21.6
83.04970	3.7
83.08612	4.9
83.87032	2.2
84.04486	2.5
84.08147	9.1
85.02908	29.0
85.06538	7.3
86.09709	24.8
87.00832	9.3
87.10026	3.8
90.05510	3.4
91.05480	24.7
93.07047	14.0
94.06693	2.1
94.07290	2.3
95.04952	3.9
95.08611	8.8
97.02872	13.6
97.06532	4.0
99.04440	7.2
99.08080	3.3
100.11243	8.1
102.82718	2.0
103.03976	2.8
103.05497	2.2
105.01862	8.7
105.07032	24.1
107.05006	2.9
107.08592	26.5
108.08900	2.0
108.49297	2.0
109.02898	18.2
109.06525	4.8
109.10155	35.3
110.07156	3.2
111.08082	5.6
113.06024	2.6
113.09614	4.0
119.04918	2.9
119.08610	4.2
120.08115	10.6
121.06525	2.6
121.08466	4.1
121.10140	5.4
123.11687	9.4
125.09661	4.6
127.03907	19.3
127.07671	2.7
129.01863	2.2
129.05544	2.2
129.10225	2.9
131.04929	6.3
132.05247	5.1
133.10132	68.5
136.07533	2.2
137.05988	4.7
138.29880	2.2
145.04910	4.7
145.10161	4.3
147.04413	14.2
147.11612	2.3
148.04776	6.8
151.11194	100.0
159.04488	4.2
160.04747	5.2
163.03894	13.2
164.04280	6.8
164.07027	2.3
165.09128	2.5
169.12250	69.2
175.03941	3.3
176.04237	2.6
182.15401	3.5
187.03943	7.3
187.13322	36.3
187.14873	3.3
188.04340	5.1
203.03409	58.4
204.03755	59.6
209.16554	2.3
210.14972	3.4
211.09833	3.5
211.13310	2.1
229.08757	2.2
229.15477	5.0
230.08966	4.5
247.09657	11.5
248.10002	14.6
283.06152	2.6
289.12036	3.3
290.12122	2.9
397.17291	2.5
434.16708	4.1
435.33160	7.2
452.18576	19.9
452.24872	3.9
453.18875	7.4
453.34399	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	452.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.2
55.01866	1.7
55.05519	3.5
55.33684	0.6
57.03437	1.0
58.99586	1.2
61.74379	0.7
65.03965	0.9
67.05505	7.0
69.03424	3.2
69.07074	6.4
70.06595	7.3
70.40728	2.3
71.04990	6.1
72.08160	4.3
73.06564	5.9
76.02233	1.8
79.05504	4.4
81.03424	1.9
81.07063	7.4
83.04974	1.1
84.04512	1.4
84.08141	5.2
85.02914	7.3
85.06537	1.3
86.09696	2.9
86.54932	0.6
86.99061	1.0
87.00832	1.2
88.04015	1.2
89.06036	3.1
91.05483	1.9
93.07034	2.0
95.04961	6.8
95.08609	1.9
95.71943	0.7
97.02905	3.6
97.06535	100.0
98.06886	1.0
99.04450	1.3
100.02203	0.9
101.04230	0.8
105.00092	1.3
105.01851	0.8
105.07030	2.2
107.08592	2.1
109.02887	1.7
109.06516	2.8
109.10170	2.9
110.07172	1.9
111.08080	1.0
113.07384	0.6
120.08146	2.7
121.10152	1.0
122.02742	15.0
123.04478	0.9
123.11729	7.5
127.03923	2.4
129.10263	2.0
133.10159	3.4
145.05006	1.2
151.11194	13.6
155.47354	0.7
169.01697	0.7
169.12250	38.7
169.45639	0.7
187.13403	1.0
188.04254	0.7
200.03824	0.8
220.23982	0.8
234.02298	1.0
243.11456	0.9
272.13245	1.3
273.11664	0.7
290.10922	1.1
290.14206	19.5
291.04318	1.7
291.13562	2.0
303.13571	0.9
313.11716	1.0
452.18692	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03662	1.3
55.05505	4.7
57.07082	24.4
59.41100	1.3
61.96985	1.3
67.05500	3.2
69.07059	5.1
70.88239	2.4
70.88554	1.9
71.08632	19.4
81.07082	8.5
83.08607	4.7
85.10177	8.3
85.74463	1.4
89.06005	1.9
91.05472	3.1
91.74688	1.6
95.08620	7.5
97.10208	2.4
105.03396	13.8
109.10138	5.6
111.11727	3.5
125.13288	1.7
128.06178	3.1
129.07004	6.5
131.08603	8.3
133.02841	5.9
141.06995	5.5
142.07666	1.8
143.08563	3.4
147.04419	2.7
153.06940	2.8
155.08589	4.0
157.06512	8.3
157.10081	2.1
159.08105	12.1
161.06009	2.7
165.07056	2.2
167.08591	2.7
169.10152	2.0
171.08060	18.2
173.05992	3.8
179.08595	2.4
180.09395	2.3
181.06503	3.1
181.10147	4.4
183.08093	3.4
185.09613	16.7
187.07556	100.0
191.08554	2.1
195.08076	4.7
195.11734	2.6
196.08907	2.4
197.05960	1.6
197.09641	11.5
198.06735	3.0
199.07597	14.3
199.11214	2.9
208.08902	4.1
209.09669	6.6
211.11194	8.7
212.08301	3.7
213.09131	11.1
223.11192	5.5
225.12845	6.0
226.09796	2.2
227.10751	11.7
237.12698	4.2
241.12299	7.3
245.58351	1.8
255.13707	2.7
311.20169	2.3
325.21780	1.9
390.60498	1.6
433.34665	5.1
436.33313	1.9
451.35712	49.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	12.4
57.03429	7.7
57.07063	9.4
63.49874	6.5
67.05492	12.7
69.07033	13.4
79.05470	8.0
81.07027	24.2
81.37262	6.7
83.08613	20.2
89.06023	15.0
93.07030	9.7
95.08626	12.2
109.10150	10.1
113.00028	96.2
121.10130	15.2
136.74176	6.6
169.02611	100.0
339.29028	48.0
408.42535	7.8
451.21085	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.4
55.01872	1.3
57.03428	0.6
61.02929	0.8
62.95935	0.2
68.99785	0.7
69.03429	4.5
69.16953	2.7
70.06587	0.4
70.14822	0.2
71.04987	0.5
72.08151	0.3
73.02896	0.9
74.27440	0.3
81.03423	4.7
85.02911	8.9
86.09711	0.6
87.00844	2.8
91.05486	3.3
97.02901	2.7
99.04447	2.2
103.03900	0.2
103.05460	0.8
105.01880	2.4
105.77624	0.2
109.02884	5.6
117.01851	0.5
119.04947	1.6
123.24209	0.3
127.03926	7.7
129.01819	1.0
131.04947	5.1
145.04999	2.2
147.04413	15.4
148.04697	0.3
159.02899	3.1
159.04414	5.1
175.03946	2.9
203.03406	100.0
204.03755	1.9
213.03918	0.5
231.04985	0.8
245.04526	0.6
247.09613	0.5
287.05460	1.2
288.05814	0.8
289.06149	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0487
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06985	0.8
69.93492	3.6
70.45152	1.1
76.53185	0.9
97.30630	1.0
391.02805	1.2
451.04892	100.0
452.05286	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73590	0.4
52.00166	0.4
53.03942	1.2
55.01868	1.0
57.03419	0.7
60.36494	0.4
61.02903	0.4
68.99776	0.5
69.03436	2.3
69.16661	1.2
69.17083	2.7
71.05004	0.4
73.02927	0.5
81.03424	2.7
85.02908	5.5
86.09698	0.7
86.56302	0.4
87.00832	2.4
91.05493	2.3
97.02897	1.8
99.04449	1.2
103.05458	0.7
105.01871	1.8
105.07018	0.5
108.02088	0.4
109.02896	3.4
119.04941	1.5
120.08109	0.8
124.49963	0.4
127.03906	5.3
128.04396	0.5
131.04060	0.5
131.04951	6.0
137.06009	0.5
145.04962	1.0
147.02733	0.6
147.04414	15.1
148.04764	0.6
159.02956	1.6
159.04411	5.2
175.03935	2.4
203.03406	100.0
204.03665	2.1
216.98007	0.5
231.05057	1.0
303.36404	0.5
330.99045	0.5
433.02124	0.8
453.08267	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.3
55.01870	2.3
55.71471	0.6
62.06099	0.9
65.03935	2.7
69.14038	6.6
70.06602	1.3
75.04475	3.5
78.04699	2.6
79.05482	2.3
81.07037	0.8
85.02926	3.0
86.09688	2.0
89.03913	1.0
89.06016	0.7
91.05484	13.1
93.03416	12.7
93.07050	5.3
95.04984	2.8
96.72470	0.7
97.06533	2.9
103.05490	5.1
105.07025	1.1
106.04179	22.5
107.04964	1.9
109.06493	1.1
110.07339	0.6
116.31857	0.6
117.03429	1.4
119.04969	5.8
120.08122	0.9
121.06514	24.9
121.07395	1.2
122.03684	0.7
122.07314	1.2
123.04418	1.9
123.08074	1.0
124.05203	0.8
124.24178	0.8
125.06001	7.1
127.07604	1.1
130.91476	0.7
131.04929	1.3
133.02843	1.1
133.06447	0.8
134.03651	5.0
137.05981	8.1
138.06750	1.0
139.07549	2.5
145.02850	0.9
147.04448	5.6
148.05190	1.7
149.05995	41.8
151.07532	2.8
153.05458	1.7
153.09113	10.8
163.07561	2.4
165.05470	1.5
165.09055	1.3
166.06253	1.1
167.06924	1.2
167.10684	1.3
177.05493	22.0
179.07021	3.1
181.08607	20.0
181.10234	0.9
191.07028	1.1
209.08104	100.0
210.08722	0.8
244.63449	0.7
250.66937	0.7
255.46259	0.7
300.05945	2.5
330.06940	1.9
339.12451	1.2
432.09802	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.01860	1.4
57.03441	0.6
60.98434	0.6
62.06086	1.2
62.98744	0.5
65.03934	2.6
65.64567	0.5
67.05503	1.2
68.30225	0.7
69.03406	0.7
70.06590	3.0
70.19836	0.5
70.30136	1.6
72.08147	2.0
72.51075	0.7
72.51505	0.6
75.04467	2.1
77.03943	1.2
77.04413	0.5
78.04694	1.6
79.05503	1.7
81.03406	1.0
81.07074	0.6
84.08146	2.4
85.02920	3.1
86.09689	2.2
89.03909	0.8
89.06033	1.2
91.05486	14.5
93.03420	10.8
93.07061	5.8
95.04973	3.1
97.02875	0.6
97.06519	2.3
98.20734	0.7
103.05477	4.7
105.04460	0.8
105.07035	1.4
106.04180	23.3
107.05003	1.2
108.05744	0.8
109.06512	1.7
110.07229	0.7
119.04952	5.1
120.08120	2.8
121.06509	25.8
122.03677	0.8
123.04440	1.0
123.08073	1.1
124.05194	0.7
125.06009	6.9
127.08691	0.7
129.10204	0.7
131.04919	1.5
133.02863	1.1
134.03612	4.4
135.04454	1.8
136.05200	0.8
137.02388	1.3
137.05989	8.4
138.06703	0.7
139.07544	2.2
145.02818	1.0
147.04428	7.4
148.05186	2.1
149.05984	39.0
149.09598	1.0
151.07532	3.0
153.05495	1.7
153.09111	10.2
163.03931	0.6
163.07597	1.4
165.01891	0.7
165.05469	1.3
166.06284	1.6
167.10759	0.8
177.05486	20.8
179.07042	4.0
181.08589	18.2
186.12407	1.2
187.03976	0.7
191.06990	1.3
203.03401	1.9
209.08101	100.0
210.08574	1.8
214.11905	0.8
227.06891	0.7
263.06931	0.6
273.07126	1.0
288.05765	0.7
299.05447	3.2
300.05881	8.2
301.06735	2.2
303.26483	0.6
312.05914	1.6
314.07394	1.4
326.07217	0.9
329.06491	1.8
330.06937	9.2
339.12305	1.8
340.09146	1.7
354.06845	4.3
368.08453	1.0
384.07904	2.6
396.07965	1.8
414.08905	3.3
432.10010	4.3
450.10995	6.2
451.15952	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.9
55.01886	0.5
55.05507	0.7
63.00339	0.5
65.03933	0.7
67.05508	1.2
69.03438	5.5
69.07070	0.8
69.83900	2.2
70.06582	2.0
71.05004	5.5
72.08172	0.9
79.05503	2.6
81.03455	1.1
81.07046	1.2
83.04960	0.6
84.08141	2.0
85.02905	1.4
86.09689	2.8
87.10021	0.6
87.34568	0.6
91.05477	2.6
93.07055	3.8
95.04984	11.3
95.08613	0.7
97.02898	0.5
97.06537	2.0
97.93277	0.4
98.20908	0.7
103.05496	0.7
105.07042	2.2
107.08587	1.9
109.06489	0.8
111.04451	1.8
117.07157	0.5
119.08601	0.8
120.08119	2.1
121.06515	2.0
121.08405	0.7
121.10166	3.3
123.04496	0.6
123.11712	0.4
124.05235	1.3
125.06004	2.5
127.03987	1.3
129.10336	0.5
130.08589	0.6
133.10175	0.6
139.11230	0.5
148.05974	0.6
149.09636	100.0
150.09995	2.0
167.10696	33.2
199.04019	0.6
199.07562	1.1
200.04271	0.7
200.08008	1.0
227.07051	5.2
228.07414	7.2
287.05392	2.2
288.05933	4.6
304.05258	0.5
334.11536	0.6
354.06693	0.5
432.11221	2.2
450.19913	1.2
450.28653	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
54.48037	0.7
55.01864	2.3
55.05508	1.7
56.05032	1.0
57.03428	3.1
57.76637	0.8
58.99569	1.6
60.04523	1.0
60.08152	3.3
61.02936	5.3
62.05462	0.7
62.41109	0.8
65.03918	0.9
65.97363	0.7
67.05497	2.0
67.77487	0.8
69.03432	13.8
69.07079	4.4
70.06565	4.6
71.04998	37.0
72.08150	2.6
73.02885	1.3
76.02226	3.8
79.05485	1.7
80.99743	0.9
81.03437	6.6
81.07061	1.7
82.06607	0.7
83.04989	1.2
84.04478	1.1
84.08138	3.7
85.02911	42.9
85.08510	0.8
86.09695	2.7
86.99043	0.9
87.04470	1.3
88.04004	1.0
91.03957	2.3
91.05471	3.2
93.03388	1.1
93.07063	4.8
94.06606	0.7
95.04977	3.4
97.02305	1.1
97.02901	15.4
97.06541	1.0
99.04460	100.0
100.02226	1.2
100.04759	0.9
101.04209	0.8
105.00115	1.1
105.07027	1.2
107.04953	1.2
107.08606	7.5
109.02902	4.4
109.06528	3.1
110.07166	1.0
110.96347	0.9
111.04440	2.1
112.07591	1.4
118.06601	1.0
119.04929	0.9
120.08119	1.0
121.06513	3.0
121.10139	4.3
122.02740	11.9
123.04411	1.5
125.05957	3.4
127.03934	11.1
130.08620	1.0
131.08546	4.5
132.01138	1.5
135.04449	1.0
145.04965	10.7
146.02727	1.5
147.04379	1.1
149.06020	8.2
149.09634	23.3
153.05473	5.5
163.03883	3.2
167.07071	4.8
167.10686	18.6
174.05852	1.9
195.06503	6.8
220.06435	6.2
238.10684	1.3
248.06003	0.8
261.09851	0.8
270.11584	2.9
279.10809	1.3
287.05371	2.0
288.05872	2.9
288.12668	49.8
289.12970	1.3
330.13699	1.1
406.17435	0.8
422.13092	0.9
450.17514	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	449.3993
Annotation	sitostanetriol
Peak:m/z	Relative Intensity
55.05519	25.2
57.07074	15.5
63.38702	2.2
66.88646	2.1
67.05495	10.2
69.07079	23.1
70.69102	2.8
70.69423	4.6
71.08629	10.7
79.05492	5.8
81.07072	18.1
83.04958	4.7
83.08632	22.4
85.10178	4.1
91.05489	8.8
93.07063	11.6
95.04969	2.9
95.08635	15.8
97.10164	20.8
105.07034	5.0
107.08616	6.8
109.06568	3.5
109.10180	18.3
111.08086	8.5
111.11739	5.4
119.08575	15.7
121.06532	4.8
121.10155	8.1
122.15994	2.3
123.04444	6.7
123.08076	9.1
123.11743	8.1
133.10178	5.7
135.11664	4.8
137.09654	22.8
139.07558	37.8
147.11717	4.7
149.13255	2.5
151.11218	9.9
161.13345	3.6
165.09129	9.3
165.12776	6.4
179.14314	4.7
193.15877	5.1
207.17461	2.9
225.09109	3.3
347.29388	5.6
385.38535	2.8
403.39355	29.8
431.38855	90.8
432.39389	3.1
449.39957	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	449.3989
Annotation	sitostanetriol
Peak:m/z	Relative Intensity
53.03949	2.1
53.80119	0.9
54.42286	0.9
55.01867	1.1
55.05515	24.1
56.67059	1.0
57.06832	1.3
57.07081	18.0
67.05509	15.3
69.03454	1.3
69.07071	27.7
70.31388	1.0
71.08633	10.3
77.03961	1.2
79.05495	5.2
81.07063	14.2
81.26768	1.1
83.01312	2.0
83.04980	3.0
83.08620	27.6
85.10211	7.3
91.05482	7.4
93.07062	10.0
95.04974	5.2
95.08610	18.9
97.06515	1.7
97.10175	23.3
105.07015	5.3
107.08604	6.8
109.06522	5.1
109.10162	14.7
111.08076	11.8
111.11728	4.7
119.08585	20.1
121.06512	7.3
121.10172	7.3
123.04444	11.7
123.08099	6.0
123.11723	8.4
125.09640	1.2
127.78796	1.1
129.70624	1.1
133.10080	5.2
135.08049	1.3
135.11685	7.7
137.06000	3.1
137.09630	19.7
137.13268	3.8
137.19745	1.1
139.07544	40.8
140.32817	1.1
145.10204	1.6
145.35559	1.0
147.08041	3.8
147.11678	4.0
149.09625	1.5
149.13283	2.4
151.07574	2.2
151.11186	9.9
151.14861	1.7
153.09097	2.0
155.10638	2.1
157.10228	1.0
161.13261	3.2
163.11102	1.4
163.14902	1.3
165.09100	9.3
165.12753	6.6
167.10701	1.9
175.14857	2.4
179.10689	1.6
179.14305	6.3
183.10193	3.1
189.12610	1.2
189.16400	2.5
193.12199	1.8
193.15933	6.4
207.13640	1.5
207.17506	3.5
221.15451	1.5
221.18985	1.7
225.09174	2.0
235.20560	1.5
263.23615	1.2
287.05270	1.0
347.29398	6.5
392.49304	1.1
403.39322	28.6
431.38873	100.0
432.39185	4.4
449.39926	81.5
450.40280	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	449.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.0
55.01878	1.3
57.03431	1.4
61.91238	0.9
69.03440	6.0
70.06573	1.8
71.01362	1.4
71.04997	1.1
71.48422	1.5
72.08170	1.2
73.02921	1.9
74.09148	0.9
81.03434	5.8
81.03841	1.3
83.04955	1.0
84.08127	1.1
85.02910	15.5
86.09702	1.6
97.02895	34.9
99.04453	11.2
103.03947	11.7
107.04951	2.6
109.02866	5.6
115.80034	0.9
123.04402	1.1
125.02358	100.0
127.02977	1.4
127.03924	25.3
141.19975	0.9
143.03401	91.4
145.04962	8.8
148.68053	1.0
163.03937	1.4
163.06090	1.7
177.05235	0.9
178.85896	0.8
187.06013	2.0
242.09409	0.9
271.08246	1.6
279.94547	1.1
287.05441	2.2
299.05649	3.0
329.06573	1.8
353.06512	1.1
449.17035	0.9
450.75305	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	18.8
56.01603	3.5
57.03439	64.5
57.07082	48.6
67.05511	35.5
69.07059	15.0
69.07403	4.2
71.08645	32.6
79.05487	9.3
81.07071	33.8
83.08602	15.5
85.10186	14.7
93.07046	6.9
95.08603	41.0
97.10141	6.2
98.21548	7.1
98.98477	100.0
107.08614	4.2
109.10172	14.9
112.99313	5.5
113.00026	55.3
119.08621	4.3
123.11683	9.1
133.10130	3.8
136.99997	97.0
137.13315	4.7
155.01057	92.7
169.02654	46.9
187.03790	5.6
193.02684	19.0
193.04242	3.8
195.59882	3.9
211.03680	16.9
239.23689	5.5
263.23880	5.3
295.25958	3.8
313.27390	84.9
337.27423	25.2
449.26666	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	449.1085
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
55.01859	0.2
55.05489	0.3
57.03402	0.2
61.02896	0.2
67.01837	0.5
67.05489	0.3
68.99783	0.5
69.03394	0.5
70.06581	0.3
70.54195	0.4
70.54567	0.3
72.08143	0.2
73.02887	0.2
79.01817	0.2
79.05474	0.3
81.03391	0.3
81.07037	0.4
84.08121	0.2
85.02872	0.7
85.06519	0.2
86.09686	0.5
89.03912	0.2
89.33215	0.2
91.05452	0.4
93.07016	0.3
95.08565	0.3
97.02853	0.3
99.04458	0.3
101.64804	0.2
105.06996	0.4
107.08578	0.3
109.02871	0.4
109.06538	0.3
109.94555	0.2
110.28717	0.2
117.03313	0.2
119.08588	0.2
120.08079	0.6
121.06437	0.2
121.10148	0.2
123.11668	0.2
125.09584	0.2
125.87393	0.1
127.03883	0.3
131.08591	0.2
133.10051	0.2
135.04417	1.9
137.02341	0.5
137.05959	0.2
145.10078	0.3
153.01840	5.8
157.10051	0.3
159.11592	0.2
161.02287	0.4
165.01788	0.3
171.02896	0.3
179.03404	0.3
187.14761	0.2
197.07092	0.2
199.14888	0.2
201.16429	0.4
203.03334	0.2
213.05414	0.3
227.08238	0.3
241.04999	0.6
245.04633	0.3
269.04425	0.4
269.09167	0.5
270.05576	0.2
273.37991	0.2
286.04669	0.2
287.05521	100.0
288.05902	1.9
297.04068	0.2
299.05383	0.8
303.05069	0.2
311.05524	0.2
318.10489	0.2
329.06638	0.9
353.06351	0.3
365.06094	0.2
431.10214	0.2
449.10831	18.4
450.11154	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1082
Annotation	8-C-beta-D-Glucopyranosylkaempferol
Peak:m/z	Relative Intensity
57.02161	1.2
68.47029	1.0
68.53967	1.3
69.58782	6.2
70.06569	1.8
79.01841	4.3
79.05473	1.1
81.03413	1.4
85.02916	2.8
99.50240	1.2
107.04948	1.2
109.02901	1.3
119.04929	1.5
120.08218	1.5
121.06527	1.4
135.04440	3.9
137.02350	15.6
137.03308	2.1
145.02750	1.2
149.05986	2.5
153.01807	1.5
155.33990	1.2
161.02385	3.5
161.06070	1.8
163.03931	2.7
163.81383	1.1
165.01846	7.4
165.05386	1.2
179.03493	1.8
183.02873	2.2
187.03926	1.7
199.03867	1.7
209.08157	3.6
217.04988	3.4
227.07141	2.8
229.05009	3.9
243.02922	3.2
243.06541	1.4
257.04358	1.5
259.06128	3.4
271.05988	6.0
272.06790	9.4
283.06085	2.9
286.04694	2.3
287.05490	8.5
297.07446	1.8
299.05511	83.5
300.06299	34.9
301.06873	2.8
309.07828	1.5
311.05515	16.1
313.07040	18.7
314.04260	1.6
321.07697	1.7
323.05392	1.7
324.06177	3.0
325.06973	10.3
327.05115	2.4
329.06564	100.0
330.06793	3.5
337.07050	2.0
339.04868	2.8
339.08649	21.6
341.06613	5.7
343.08331	1.8
353.06577	24.2
359.07797	6.7
365.06537	2.5
367.08200	5.0
371.07816	1.2
376.55228	1.1
377.06610	3.2
383.07639	18.7
391.53644	1.2
395.07629	12.9
401.08762	1.5
413.04358	0.8
413.08670	32.6
431.09775	48.1
432.10388	1.5
449.10791	63.3
450.11154	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	449.1079
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03949	0.5
57.03426	0.6
61.02931	1.7
68.99796	0.5
69.03098	0.3
69.03437	3.3
70.04466	1.3
71.04991	0.5
73.02908	0.3
81.02994	0.3
81.03410	1.6
84.08119	0.4
85.02908	9.1
90.04295	0.3
91.03926	0.6
97.02905	3.6
99.04459	0.7
105.03358	0.3
107.04886	0.4
109.02873	0.9
111.00811	0.9
120.08111	0.6
121.02876	2.9
127.03935	1.6
133.02841	0.7
134.66548	0.3
137.02342	1.2
140.54208	0.3
145.04956	1.3
147.04433	0.7
153.01823	4.8
157.06549	0.3
165.01843	2.3
165.03169	0.4
171.04527	0.4
183.02951	0.8
185.05957	0.7
199.07570	0.3
213.05476	1.8
227.07034	2.0
231.06538	0.7
238.62479	0.3
241.04970	1.0
245.08209	0.4
256.09506	0.3
258.05261	1.3
259.06171	0.5
274.95578	0.3
287.05505	100.0
288.05811	2.5
299.05444	0.8
325.07129	0.3
329.06461	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.108
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60678	0.1
53.03949	0.5
55.01875	0.5
57.03441	1.0
59.04995	0.2
61.02933	1.5
68.99793	0.8
69.03433	3.5
71.01358	0.1
71.04986	0.3
71.48815	0.2
73.02911	0.5
74.43077	0.1
79.05476	0.2
81.03425	1.5
81.07034	0.1
83.01355	0.2
85.02908	8.9
87.04449	0.3
91.03943	0.4
91.05482	0.1
93.07058	0.1
97.02299	0.2
97.02895	3.1
99.04430	0.5
105.03394	0.4
105.07049	0.1
107.04963	0.5
109.02868	1.2
111.00823	0.9
111.04492	0.2
119.08559	0.2
120.08111	0.1
121.02871	3.4
127.03923	1.8
129.06976	0.1
133.02861	0.6
135.04436	0.2
137.02325	1.1
145.02794	0.1
145.04945	1.4
145.06493	0.3
146.91365	0.1
147.04393	0.6
148.77560	0.1
153.01834	4.7
157.06503	0.6
161.05988	0.2
165.01836	2.1
171.04427	0.4
175.03925	0.1
183.02919	0.8
185.05994	0.5
187.03943	0.1
197.06026	0.1
201.05530	0.1
203.07159	0.1
208.40742	0.1
213.05466	1.6
229.04961	0.2
231.06517	1.0
241.04924	0.9
243.06607	0.1
258.05215	1.2
259.06113	0.6
269.04379	0.2
286.04694	0.1
287.05502	100.0
288.05832	2.3
299.05505	0.9
325.07062	0.2
329.06586	1.0
339.08746	0.1
353.06494	0.4
383.07684	0.2
393.31949	0.1
395.07693	0.2
413.08807	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1084
Annotation	Luteolin-7-glucoside
Peak:m/z	Relative Intensity
58.83687	0.2
67.01855	0.5
68.99796	0.4
69.03429	0.2
70.06593	0.4
70.55106	0.5
79.05494	0.2
81.03407	0.3
84.08146	0.2
85.02895	0.3
86.09721	0.2
89.03954	0.2
91.05483	0.1
91.63424	0.1
93.07086	0.3
96.45075	0.1
104.86581	0.1
107.04935	0.1
109.02859	0.1
109.06552	0.2
111.00805	0.1
117.03361	0.3
127.03898	0.2
129.01797	0.2
135.04434	1.6
137.02437	0.7
153.01843	5.3
161.02364	0.4
165.01854	0.4
171.02933	0.3
179.03351	0.3
185.05812	0.2
189.05521	0.2
191.74925	0.1
199.03957	0.2
203.03308	0.4
213.05536	0.2
217.04964	0.4
225.28180	0.1
227.06967	0.2
241.04965	0.7
245.04471	0.2
263.05655	0.1
269.04498	0.5
286.04211	0.1
287.05511	100.0
288.05865	1.8
296.81958	0.1
299.05588	1.5
311.05539	0.2
329.06625	1.2
339.08682	0.4
339.44839	0.1
342.58389	0.2
353.06586	0.4
377.06595	0.2
383.07666	0.4
395.07693	0.2
413.08917	0.3
431.09885	0.3
449.14124	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.108
Annotation	6-C-Galactosylisoscutellarein
Peak:m/z	Relative Intensity
61.42369	0.9
68.99812	0.8
70.85944	1.8
79.17937	0.8
81.03439	2.0
85.02922	1.8
109.02845	1.6
121.02847	1.8
131.04974	1.0
135.04416	3.6
137.02364	7.7
141.01819	1.8
145.02968	0.9
147.04378	0.9
149.02351	4.2
153.01808	1.1
161.02344	3.1
163.03926	3.4
165.01839	20.5
167.03424	3.0
177.01822	2.0
179.03481	1.4
183.02942	2.2
189.01897	1.0
190.02686	1.2
195.02882	1.5
221.19336	0.8
243.02873	1.7
245.04509	1.4
255.06458	1.3
271.05997	1.7
272.06564	0.8
283.06027	7.5
286.04742	3.5
287.05441	6.7
295.06033	1.5
297.07626	6.1
299.05518	100.0
300.06207	11.3
301.06778	1.3
307.05688	1.0
311.05612	9.8
311.08990	1.7
313.07013	2.5
321.07578	2.7
323.05511	2.2
324.06287	2.3
325.03702	1.3
325.07077	23.2
329.06558	63.7
330.06873	1.7
337.06964	3.1
339.04825	1.2
339.08691	16.5
340.09067	0.9
349.06845	4.1
353.06583	33.0
354.06979	2.0
365.06573	9.9
366.06961	0.9
367.08066	2.6
377.06519	8.4
383.07608	19.9
395.07614	17.7
396.65970	1.0
413.03510	1.5
413.08673	17.2
431.09839	8.9
449.10806	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	449.108
Annotation	CHEBI:76041
Peak:m/z	Relative Intensity
53.03955	0.8
57.03445	5.1
69.03432	1.9
69.29986	5.6
69.78754	0.7
70.06581	3.1
70.09189	0.7
71.01371	0.9
71.04992	25.1
72.08150	2.0
73.02908	0.9
75.04456	1.4
81.03398	1.8
81.07076	0.9
84.08148	1.0
85.02907	29.2
86.09704	2.3
107.08582	0.8
109.02843	1.2
111.00808	1.2
120.08084	1.1
121.02847	1.0
121.06487	1.8
125.09604	1.5
129.05486	5.5
135.04449	0.9
137.02353	7.0
137.05992	0.9
147.04411	1.6
147.06523	1.2
149.02321	1.1
149.06001	1.0
153.01845	4.5
161.02379	1.0
161.05962	0.9
163.03905	1.6
165.01883	5.5
167.03360	1.1
177.05450	1.2
183.02846	1.1
187.03897	3.0
195.02847	1.1
201.05563	1.7
209.08067	2.4
227.07021	2.2
229.04990	5.0
257.04340	2.3
283.06152	1.8
283.10660	0.9
285.04092	1.2
287.05585	2.5
290.11285	1.1
297.07501	1.7
299.05530	21.0
300.06213	3.5
303.05002	100.0
304.05344	2.5
311.05493	2.7
312.07306	1.2
313.06989	1.8
315.04788	1.1
325.07040	4.3
327.04947	1.0
329.06552	15.9
339.08585	3.7
345.06012	1.6
353.06589	7.2
364.39261	1.0
365.06467	2.3
377.06461	2.8
383.07758	5.5
395.07574	6.7
404.13486	1.1
413.08664	6.1
431.09827	4.6
449.10416	2.7
449.15765	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	448.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16623	0.4
56.05030	0.9
56.96556	1.5
59.04992	1.0
60.04525	1.1
69.03426	1.1
69.40108	3.1
70.06600	2.4
72.08136	1.8
74.06083	0.7
77.03951	0.4
78.77663	0.5
79.05486	0.9
83.06110	0.5
84.04503	3.0
84.08131	1.6
85.02908	1.3
85.86301	0.4
86.09713	4.8
87.05599	0.4
89.03902	1.6
89.06003	0.6
93.07053	1.6
96.04464	0.5
97.02903	0.8
98.06035	0.6
98.97606	3.6
101.07132	1.0
103.05473	6.3
107.04951	2.1
109.02923	0.5
110.07168	0.9
110.97588	0.6
116.07042	0.5
116.98629	1.7
117.03374	0.9
119.04954	0.5
119.33102	0.4
120.08109	100.0
121.06489	1.2
121.08604	2.6
126.05519	1.6
127.03943	0.5
128.98630	0.7
129.10257	1.5
129.65872	0.4
130.05038	1.0
130.06499	0.5
130.08629	0.6
131.04919	2.9
133.02811	0.7
133.18422	0.5
135.04410	2.4
137.05946	0.8
145.02850	1.1
147.04437	1.2
147.07698	1.1
149.06058	1.6
157.81657	0.5
158.99731	0.9
163.03903	7.3
166.08649	50.1
167.07030	1.4
177.00711	0.5
177.05504	0.5
219.01741	1.0
237.02945	1.0
246.14597	1.0
251.07121	0.6
259.12039	1.0
260.07303	6.8
260.15909	0.5
260.57498	0.5
271.04993	0.6
305.08997	0.7
317.60266	0.6
424.13290	0.7
439.12146	0.5
448.18359	0.6
449.16620	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09462	0.6
55.05507	0.8
56.05034	3.5
57.03425	0.7
60.04507	1.2
60.05637	1.1
68.48782	0.6
69.03411	1.3
69.07055	0.7
70.06601	7.0
71.47302	1.0
71.52348	0.6
72.08150	4.2
74.06055	1.3
81.03388	0.9
83.04963	0.9
83.06078	2.0
84.04488	2.0
84.08118	2.5
85.02885	2.1
86.09718	6.1
87.05577	0.9
91.05445	1.6
92.28561	0.6
95.04953	1.1
96.04488	0.8
97.02811	0.7
100.27981	0.6
102.05531	0.8
104.05283	2.6
105.03384	2.5
105.05817	0.9
106.06530	1.7
110.07139	1.3
111.05567	7.1
112.08732	0.6
113.07101	1.4
115.08681	0.6
118.06541	0.8
120.04473	14.7
120.08072	1.2
123.05526	1.5
126.05771	1.0
126.06641	10.3
127.03891	1.3
127.07407	1.2
129.10213	2.1
130.06508	1.5
132.04451	24.7
132.08054	0.8
133.06058	1.7
134.06012	9.3
136.07555	1.6
137.04678	2.4
140.08122	0.8
145.03998	1.1
146.02333	1.2
149.02400	1.0
149.07027	0.7
151.06151	9.0
157.13429	1.3
159.09189	1.2
163.03876	1.4
165.09157	1.1
168.08774	2.5
170.05794	0.8
177.05603	0.7
185.07080	0.6
185.12801	1.5
196.53329	0.6
202.09778	14.3
206.06789	0.6
216.11270	4.1
222.61269	0.6
230.09242	9.6
231.12488	1.3
232.10820	3.6
242.09288	3.9
257.10349	5.3
259.11914	80.6
260.12256	1.9
264.10104	2.0
277.12906	2.8
284.11429	6.4
287.05475	1.6
299.05560	0.7
301.14063	10.1
302.12469	33.8
303.12848	0.7
319.15140	1.7
362.18213	1.2
370.58286	0.6
405.17468	1.1
406.17261	14.4
413.15677	0.7
421.12860	0.7
430.18073	2.1
431.17062	1.1
448.19406	100.0
449.19449	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	447.384
Annotation	13'-hydroxy-alpha-tocopherol
Peak:m/z	Relative Intensity
52.08596	2.6
55.05507	11.5
57.07067	12.6
58.45316	2.8
63.95250	2.5
69.07067	8.1
71.08641	17.9
71.48856	3.3
81.07049	7.7
83.04980	35.0
83.08608	3.9
85.10175	5.7
91.05479	6.3
93.07046	13.4
95.08617	7.5
99.08105	3.4
105.07065	4.0
105.47644	2.7
107.08597	2.7
111.08103	4.4
121.06496	20.2
121.10154	3.1
123.08099	4.6
127.07552	8.7
135.08089	9.4
137.09662	3.0
139.07555	53.6
149.02342	15.6
163.07579	10.9
165.09126	6.2
180.07835	6.5
181.08568	15.8
190.45271	4.0
203.10785	3.4
204.62053	2.8
447.38367	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	447.3835
Annotation	13'-hydroxy-alpha-tocopherol
Peak:m/z	Relative Intensity
55.05515	50.1
57.07074	75.0
67.05505	11.6
69.07074	100.0
69.24516	41.8
71.08637	58.4
79.05465	5.8
81.07058	22.2
83.08630	58.3
85.10184	32.0
89.96120	4.1
91.05480	9.1
93.07021	11.9
95.08599	15.3
97.10176	63.8
98.20796	7.8
107.08576	18.3
109.10150	14.4
111.08111	4.9
111.11719	44.2
119.08603	7.3
125.13242	14.7
135.08067	27.9
137.09654	13.0
138.06776	6.5
139.07568	26.7
149.02328	13.9
149.09666	8.5
151.07536	20.1
153.09096	24.4
158.77992	4.3
163.07574	9.5
163.11230	8.8
165.09117	94.8
167.07114	7.2
169.08607	7.7
177.09126	14.0
181.08586	37.6
191.10701	10.3
205.12256	11.8
222.94463	4.5
344.55426	4.6
429.37320	39.9
447.38394	82.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55330	1.8
53.03948	3.6
54.97540	2.1
55.05520	9.9
57.03431	9.5
61.02960	1.9
63.08371	2.1
65.26596	1.8
67.05145	2.0
67.05506	40.7
69.07068	11.7
70.93398	3.3
70.93718	3.5
79.05492	21.5
81.07058	42.8
81.90193	2.1
83.08610	5.1
91.05475	11.3
93.07050	35.7
95.08060	3.0
95.08612	26.1
98.98474	5.7
101.80553	1.9
105.07024	11.9
107.08608	17.6
109.10172	14.6
111.05463	1.9
113.00025	100.0
117.06977	3.9
119.08574	9.6
121.10144	12.5
123.11694	8.4
123.67460	1.9
129.07013	1.9
131.08568	9.7
133.10133	8.0
135.11699	7.4
137.00014	4.3
137.13245	2.7
144.81288	2.2
145.10173	6.4
147.11694	5.0
149.02368	3.0
149.13264	7.5
152.27039	2.2
155.01082	2.4
159.11670	2.9
161.13284	3.9
163.14818	3.4
169.02623	32.1
173.13249	4.5
175.14865	2.7
187.03699	12.1
187.14801	2.5
243.21095	9.4
261.22125	24.3
311.25781	4.3
314.35776	2.1
317.24683	9.2
335.25827	58.2
336.25964	4.2
447.24762	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	447.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	2.1
55.05511	13.0
57.03441	12.2
57.07075	4.0
60.23500	1.8
65.41867	1.7
67.05507	20.9
67.06115	1.7
69.07075	11.8
70.07747	4.8
70.08144	4.5
71.08667	2.1
79.05497	19.3
81.07063	27.3
83.08600	6.6
91.05502	9.2
93.07049	23.1
95.08608	21.2
97.10185	4.4
98.20825	2.3
98.98471	13.9
104.81091	1.9
105.07014	8.3
106.16744	2.0
107.08600	17.1
109.10152	7.3
113.00023	100.0
117.07029	3.7
119.08616	12.3
119.78998	2.1
121.10140	13.0
123.11684	5.4
131.08586	6.1
133.10130	5.4
135.11690	9.1
136.99998	10.4
145.10135	4.8
147.11681	5.3
149.13246	6.8
155.01054	9.2
159.11653	3.6
161.13292	3.6
163.14824	3.5
169.01242	3.8
169.02617	48.4
173.13319	4.5
187.03654	14.2
225.67337	1.9
243.21117	8.3
261.22128	28.5
285.17087	2.1
311.25864	11.6
317.24780	7.0
335.25839	34.9
447.25146	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	447.251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
55.01634	1.3
55.01878	18.5
55.05515	44.7
57.03441	61.5
57.07084	14.7
64.63569	1.0
67.05507	13.5
69.07072	43.2
69.91097	4.3
71.08639	8.5
73.02907	1.5
79.05497	10.5
81.07070	13.8
83.04987	1.9
83.08159	2.1
83.08626	35.4
85.10185	3.4
86.87968	1.1
91.05490	1.3
93.07050	8.5
95.08614	9.9
97.06524	3.7
97.10178	22.9
98.98471	85.7
107.08610	6.6
109.10172	2.8
111.08089	3.3
111.11732	6.1
116.08398	1.0
116.99513	1.3
120.84463	1.0
121.10139	7.5
123.11742	1.9
129.05444	1.6
135.11725	6.5
136.99995	89.3
137.13278	1.4
138.84822	1.2
149.13301	1.9
155.01051	62.6
158.29039	1.1
193.02637	16.6
211.03680	11.4
219.21031	2.2
231.98878	1.3
237.22104	16.2
293.24765	2.0
311.25818	67.0
312.26230	1.5
373.49619	1.1
380.93246	1.1
447.25095	100.0
448.25516	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	447.2487
Annotation	MC-207,110
Peak:m/z	Relative Intensity
55.05509	1.6
57.03429	2.3
57.07080	11.3
67.05518	2.6
69.07053	3.1
71.08635	7.5
73.04752	2.0
81.07039	2.5
83.08617	2.1
85.10186	3.3
86.33624	0.6
88.02211	1.3
91.05789	2.0
95.08643	4.4
97.10188	1.4
103.07590	0.6
109.10168	1.7
122.17190	0.5
123.11656	1.0
123.54476	0.6
134.98198	26.7
151.31401	0.6
176.00783	0.6
176.99234	1.3
206.21382	0.5
209.01886	3.1
313.27399	16.4
335.25626	1.2
353.26797	2.9
361.02707	1.6
415.22314	2.0
429.23779	2.4
447.24854	100.0
448.24985	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	12.4
55.01873	15.3
55.05515	54.0
57.03420	9.0
60.04517	2.9
61.02916	8.2
67.05508	13.3
67.05824	3.1
67.90700	2.2
68.99793	5.0
69.03434	100.0
69.07068	13.5
70.06602	25.6
70.77855	3.4
70.78188	4.2
71.04985	11.4
72.08149	3.1
73.02937	16.4
79.05478	8.8
80.63306	2.5
81.03421	50.7
81.07050	33.5
83.05002	12.6
83.08604	8.3
84.08138	6.9
84.29852	2.5
84.53629	2.1
85.02914	74.6
85.06555	21.7
86.09720	12.6
87.00829	31.6
87.04463	2.2
91.05460	13.0
93.07044	19.4
95.04928	3.7
95.08613	18.9
97.02901	26.7
97.06528	3.4
97.10188	22.8
99.04469	18.2
99.07495	3.8
99.08102	52.9
101.02412	3.1
104.03784	2.3
105.01865	22.7
105.07037	6.9
107.08596	34.6
109.02897	45.2
109.06498	3.7
109.10136	7.3
111.08087	25.3
111.11700	2.5
115.20375	2.2
115.75929	2.2
117.01868	5.7
119.08547	4.0
120.08078	8.5
121.10136	19.5
123.04395	4.0
123.11714	14.4
125.09637	98.6
127.03925	67.4
129.01852	5.6
133.10101	2.7
135.11711	10.0
137.05917	3.6
137.13203	2.9
139.11197	4.2
143.08524	2.7
145.04968	19.2
145.10083	3.2
147.02913	5.6
147.11696	3.7
149.02335	5.0
151.10982	2.3
159.02901	24.6
159.11726	2.4
161.13269	3.1
163.14836	82.7
169.09787	2.7
179.14273	3.3
181.12297	3.0
181.15881	67.4
184.05278	5.8
187.03918	2.4
199.07526	17.8
199.16934	37.8
231.04991	13.0
241.08342	3.2
266.41037	2.6
271.06003	5.1
289.17929	2.9
303.04950	24.5
331.08209	3.0
429.21371	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65854	2.7
53.03945	8.2
55.01882	18.0
55.05511	45.0
57.03430	11.5
61.02932	6.3
65.86950	2.6
67.05508	13.3
67.33737	2.5
68.99782	4.5
69.03436	85.6
69.07072	19.4
69.27606	18.1
69.28033	7.8
70.06600	36.0
71.04656	2.6
71.04986	13.2
72.08156	8.0
73.02921	17.3
79.05480	14.0
81.02946	2.7
81.03422	52.5
81.07064	34.9
83.04988	15.5
83.08607	7.3
84.04462	3.0
84.08142	12.5
85.02911	75.0
85.06544	21.6
85.25098	2.9
86.09711	20.1
87.00842	31.0
87.04463	3.4
91.05483	16.5
93.07033	19.5
94.80229	2.8
95.04948	4.5
95.08617	18.6
97.02896	32.5
97.06520	5.9
97.10166	22.9
99.04446	17.9
99.07503	6.0
99.08100	55.9
103.05501	3.5
105.01875	22.9
105.07042	8.6
107.08612	32.4
109.02892	47.7
109.06519	5.0
109.10181	13.2
111.04494	3.3
111.08087	23.3
113.13565	3.2
117.01845	5.6
119.08604	8.6
120.08100	10.1
121.10159	21.8
123.04402	4.3
123.08038	4.8
123.11711	10.5
125.09639	100.0
127.03935	60.2
129.01805	4.1
129.06992	3.5
129.10240	6.4
131.08479	2.8
133.10132	5.3
135.08092	4.7
135.11699	9.3
137.05969	3.0
139.11218	6.1
141.10281	3.1
145.04977	22.5
145.10208	3.7
147.02951	3.3
147.11612	5.3
149.02303	4.8
159.02917	26.1
161.13258	4.3
163.14830	70.6
165.05539	2.7
179.14223	5.4
181.12280	3.3
181.15887	76.3
184.05247	10.4
194.50069	2.4
199.07567	30.4
199.13289	3.2
199.16924	36.9
229.08546	3.4
231.05009	11.9
232.09540	4.1
241.08713	4.6
247.45009	2.8
256.07361	3.0
257.33981	3.3
271.06064	6.5
279.16791	2.7
285.07541	3.9
303.05060	40.7
331.08115	8.7
415.10193	3.0
429.20798	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	445.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.0
54.05311	1.9
55.01859	8.7
55.05273	2.6
55.05511	33.2
57.07083	37.7
57.76332	2.0
66.78552	1.9
67.05510	18.1
69.07071	71.6
71.08293	2.6
71.08635	30.6
71.19721	4.0
71.20058	2.7
79.05483	12.8
81.06594	4.4
81.07056	62.9
83.04949	5.5
83.08622	44.5
85.10199	15.7
91.05475	9.0
93.07042	29.7
95.08612	47.9
97.06522	6.8
97.10181	41.2
105.07032	7.8
107.08581	29.3
109.06496	4.5
109.10162	20.0
111.08110	11.0
111.11715	21.7
119.08608	5.1
121.06503	5.9
121.10153	17.9
123.08075	7.0
123.11710	14.5
125.06001	4.6
125.13263	8.0
131.08577	3.4
133.10104	4.7
135.11684	13.8
137.05986	22.6
137.13242	6.9
139.07539	100.0
139.14824	3.1
140.07872	2.4
147.11696	4.5
149.09486	4.2
149.13255	17.7
151.07521	9.1
151.14784	2.8
159.51588	2.2
161.09613	2.4
161.13257	3.7
163.11244	3.0
163.14813	15.4
165.05505	16.4
165.09137	20.5
171.11685	3.5
173.13202	3.6
175.11206	5.6
177.09097	7.9
177.16403	4.6
179.07155	10.7
179.10689	2.3
181.08530	3.4
181.15749	2.7
184.82239	2.2
191.39764	2.0
193.08611	15.9
203.10585	3.8
205.12338	2.5
217.12233	6.6
221.11717	7.3
231.13791	4.9
289.28836	16.8
307.29935	23.6
397.44293	2.6
399.36472	5.0
417.37085	8.4
427.35580	7.3
445.36877	56.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.5
55.01868	10.5
55.05514	33.7
57.07077	41.4
64.86629	2.6
67.05503	20.9
69.07072	73.6
71.08634	26.7
79.05482	14.9
81.07062	60.2
81.69010	2.7
83.04963	6.8
83.08620	58.0
85.10198	16.0
91.05464	9.2
91.74728	2.8
93.07036	27.9
94.93867	3.7
95.08595	48.4
97.06555	4.5
97.10185	36.6
98.21610	7.2
105.07021	3.0
107.08569	23.3
109.06493	4.4
109.10136	23.3
111.08073	9.6
111.11728	18.8
113.75423	2.7
119.08594	3.7
121.06493	8.5
121.10129	17.4
123.08002	6.2
123.11699	13.5
124.05215	4.8
125.13258	6.7
129.10612	3.1
133.10120	3.2
135.11656	11.2
137.05972	9.3
137.13274	3.4
139.07547	100.0
149.13255	16.8
150.73207	2.9
151.07518	11.0
163.14838	13.9
165.05458	13.7
165.09160	19.6
177.09084	4.3
177.16345	5.4
179.10625	4.3
179.18011	3.2
181.08511	4.8
191.10725	3.1
193.08611	19.8
203.10687	5.4
203.14320	3.5
217.12222	6.2
221.11798	4.0
231.13873	4.1
233.12515	3.0
289.28973	21.0
307.29944	31.1
417.37354	7.2
427.35678	10.2
445.36780	49.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60361	3.0
55.01871	7.4
55.05514	42.3
57.07079	52.7
60.91301	3.0
63.25155	3.2
67.05504	21.4
69.07073	76.9
71.08636	33.4
71.19975	5.3
79.05489	19.3
81.07061	61.4
83.04965	3.9
83.08619	49.7
85.10202	17.9
91.05502	15.2
93.07050	32.5
95.08620	50.0
97.02473	3.0
97.06535	4.6
97.10172	31.9
105.07031	10.0
107.08601	26.1
108.21492	2.8
109.06554	3.0
109.10165	30.8
111.08096	11.5
111.11733	21.8
119.08581	10.6
120.51933	3.3
120.58576	2.9
121.06478	5.3
121.10157	12.4
123.08058	7.5
123.11737	13.7
124.05133	4.8
125.13247	7.3
133.10118	9.1
135.08031	10.5
135.11671	13.0
135.41682	3.0
137.05992	10.5
137.13257	6.2
139.07549	100.0
139.08633	5.1
139.93517	3.0
145.10126	5.7
147.08038	5.5
149.09679	6.4
149.13280	13.7
151.07567	12.5
156.09412	4.1
157.10164	4.0
161.09666	6.4
161.13168	3.7
163.07550	7.5
163.11176	5.4
163.14819	15.2
165.05479	14.6
165.09123	34.8
171.11600	5.8
173.13269	3.2
175.07571	4.2
175.11188	10.2
177.09148	10.8
177.16371	4.1
181.08585	5.0
185.13304	5.7
187.11189	3.8
189.12732	4.7
191.10719	4.0
193.08609	13.4
203.10727	8.0
205.12202	4.5
213.12775	3.5
217.12296	7.6
221.11703	4.2
231.13780	8.4
289.28964	12.5
307.29874	20.9
381.35327	6.2
399.36090	7.3
409.34897	3.7
417.37299	5.2
427.35818	12.6
445.36737	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	445.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66187	0.9
52.91672	0.9
53.03938	3.2
54.35097	1.0
55.01875	3.6
55.05518	20.4
57.03439	3.3
57.07071	2.1
62.22080	1.2
65.03951	2.8
67.05511	46.0
69.03431	1.5
69.07076	14.5
69.22190	10.9
71.04994	3.1
75.39906	1.2
79.05502	37.5
81.06593	2.3
81.07064	40.8
83.04991	4.1
83.08620	8.4
85.06531	3.0
91.05486	58.0
93.07053	33.3
93.78567	1.0
95.04986	6.7
95.08617	29.3
97.06542	3.1
97.10181	3.0
103.05457	3.3
105.04530	2.3
105.07040	56.9
107.04967	4.5
107.08611	15.8
109.06519	4.0
109.10164	9.0
111.08073	2.3
115.05458	4.1
117.07026	25.3
119.04994	1.9
119.08594	33.0
121.06524	5.9
121.10149	13.6
123.08052	1.7
123.11746	1.3
125.09669	2.1
128.06253	5.7
129.07024	20.7
131.08578	41.6
133.06503	3.2
133.10136	14.2
135.08061	4.1
135.11702	3.3
137.09608	1.2
141.06996	6.9
142.07790	2.4
143.08575	19.5
144.09413	1.4
145.06467	2.3
145.10139	23.5
147.08043	5.1
147.11696	4.9
149.09621	3.3
153.26021	1.0
155.08548	11.1
157.10136	14.3
159.08089	1.6
159.11729	10.4
161.09599	2.8
163.11165	1.5
167.08551	3.8
168.09398	1.4
169.10124	8.7
171.08134	1.6
171.11678	8.4
173.09656	2.5
173.13255	4.3
175.11180	1.4
177.12791	1.1
179.08578	1.3
181.10179	5.0
183.11771	6.1
185.09738	1.5
185.13217	5.6
187.11090	2.3
187.14789	1.5
195.11697	4.6
197.13264	4.6
199.11171	2.4
199.14833	3.7
201.12863	1.8
201.16409	1.7
205.16058	1.5
207.13908	1.3
209.13293	3.8
211.14848	3.6
213.12744	2.5
215.14415	1.6
221.15332	1.7
223.14838	3.9
225.16409	1.3
227.14357	1.5
233.15474	2.5
239.17998	1.4
245.15321	1.4
247.16946	3.4
255.17607	1.1
259.17044	1.9
261.18658	1.9
269.18927	2.1
273.18484	1.9
325.25314	2.5
335.23691	6.1
343.26352	7.6
353.24808	23.3
371.25888	19.4
389.26865	20.8
427.28360	4.4
445.29495	100.0
446.29971	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	445.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	2.3
53.03943	4.8
55.01865	3.1
55.05519	17.9
57.03426	4.2
57.07048	4.9
61.33509	2.0
67.05188	3.5
67.05509	44.6
69.07070	20.9
71.04977	4.9
71.49171	2.6
71.49546	2.3
77.61990	2.5
79.05495	34.1
81.03418	2.3
81.07059	49.3
83.04961	5.9
83.08601	8.4
91.05477	57.7
93.07047	38.7
95.04971	5.4
95.08606	28.0
97.06528	5.2
97.10178	4.2
103.05464	2.5
105.04517	2.3
105.07044	54.8
107.04937	4.4
107.08594	19.7
109.06476	4.3
109.10158	12.6
111.08157	2.2
117.07027	29.3
119.08580	30.0
120.72521	2.1
121.06501	4.5
121.10154	15.3
123.08064	4.6
128.06190	3.9
129.07013	19.1
131.08574	49.2
132.73030	2.3
133.06483	2.4
133.10117	13.9
134.98201	13.8
135.08035	4.2
135.11681	6.4
141.07033	3.3
143.08592	15.9
145.06419	2.7
145.10144	22.2
147.08069	3.2
147.11652	4.2
149.09616	4.5
155.08531	7.6
157.10149	11.4
159.08096	2.8
159.11732	10.4
161.13240	4.8
167.05583	2.7
167.08481	3.1
169.10124	7.5
171.11655	11.5
173.09676	3.7
173.13286	5.4
181.10005	3.8
183.11678	5.3
185.13292	6.7
187.14761	2.7
195.11584	4.5
197.13257	6.2
209.13298	2.7
213.16431	3.3
255.17216	2.5
261.18576	3.6
311.25656	4.8
325.25320	4.0
335.23697	6.9
343.26257	6.3
353.24771	22.0
371.25757	23.8
389.26920	24.1
427.28183	2.7
445.23856	6.3
445.29413	100.0
445.35635	5.3
446.29868	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	4.4
57.03429	1.5
57.07065	2.1
67.05500	0.5
69.07066	6.2
71.08619	1.0
71.13017	0.9
71.13349	0.7
73.04746	2.1
81.07067	0.8
83.08622	5.1
85.99454	0.5
91.05779	1.8
95.08601	0.8
97.10166	3.6
98.98428	0.5
105.11299	0.5
107.08611	0.5
111.11761	1.1
114.60463	0.4
121.10223	0.7
124.20705	0.5
134.98195	20.6
167.05603	1.0
176.99246	0.7
191.00909	0.5
209.01923	1.5
225.04214	0.7
311.25839	8.4
333.23972	1.9
351.25070	4.4
359.02744	2.2
413.20499	2.9
427.22272	4.0
440.88803	0.6
445.23294	100.0
446.23578	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	445.171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.9
55.01871	2.4
55.05507	3.1
56.05040	1.5
57.03436	1.6
58.02767	1.2
59.05015	1.9
61.02919	1.4
62.41015	1.2
65.88451	1.4
67.05473	1.4
68.99772	1.5
69.03446	7.8
69.07056	2.4
70.06596	9.4
71.04954	1.9
71.49046	1.5
72.08159	4.8
73.02922	2.3
73.04735	2.5
79.05488	3.7
81.03405	5.6
81.07052	2.9
83.04949	1.8
84.04503	2.3
84.08149	4.4
85.02901	11.8
85.06506	1.6
86.09714	25.4
87.00822	6.0
90.53141	1.4
91.05479	5.2
93.07052	8.4
95.04948	2.8
95.08606	3.6
97.02918	8.5
97.72898	1.4
99.04466	3.2
102.05537	1.6
103.05498	1.4
105.01884	3.8
105.03391	2.9
105.07053	6.3
107.04890	2.1
107.08598	20.7
109.02873	8.4
109.06539	2.8
109.10148	2.9
116.98441	1.4
119.04956	1.4
119.08572	3.9
120.08099	2.7
121.02953	1.4
121.06526	2.3
121.10165	2.9
123.04418	2.2
123.11653	2.2
125.09661	1.4
127.03920	9.1
129.10237	2.2
133.10143	23.2
135.11702	19.6
137.06018	1.7
137.09608	2.3
145.05014	2.7
151.11238	2.3
152.07088	1.5
159.02756	1.5
161.09587	10.0
167.05597	3.6
173.09360	1.4
176.96938	2.8
179.10680	33.9
179.14345	2.8
185.12735	1.7
197.11742	100.0
201.08752	1.6
227.17664	2.2
231.04939	2.4
283.08539	1.9
294.05038	1.6
295.05865	6.5
296.06628	1.7
313.06909	3.7
321.07813	2.7
342.99460	1.5
357.11307	1.6
359.02890	4.5
391.08264	1.8
409.09106	2.7
427.09943	2.2
445.22263	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.5
55.01864	1.2
55.05505	0.4
57.03424	1.5
61.02912	1.3
62.09962	0.4
69.03426	5.7
69.31397	1.9
69.31815	1.3
69.43678	0.4
71.04990	0.7
73.02908	1.5
79.05499	1.2
81.03423	4.4
81.07049	1.3
85.02911	11.6
86.09705	0.7
87.00838	3.8
91.05478	2.3
93.07043	4.3
95.08611	1.1
97.02909	3.6
98.21553	0.8
99.04456	1.4
105.01882	2.8
105.07031	4.9
107.08597	21.7
109.02877	5.7
109.06516	0.9
109.10161	0.9
117.01814	0.7
119.08599	3.8
121.10154	4.2
123.11697	1.1
125.09634	1.1
127.03928	8.1
129.01797	0.7
131.08545	0.8
133.10141	14.4
135.11748	0.6
137.05954	0.7
139.07541	1.7
143.08543	0.5
145.04977	1.9
149.09660	3.5
151.07549	0.7
151.11189	5.0
159.02945	1.2
161.09625	4.5
167.10684	9.8
178.57773	0.4
179.10675	12.3
185.53886	0.4
187.06044	0.6
197.11740	100.0
198.12035	1.3
213.03937	1.0
231.04941	2.3
239.12656	0.4
241.30719	0.4
379.76654	0.4
427.16238	0.8
445.17154	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	445.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
55.01863	1.1
55.05511	0.5
57.03426	1.3
61.02916	1.3
67.05494	1.0
68.99787	0.5
69.03092	0.5
69.03436	8.1
70.06599	0.7
71.04999	0.8
72.08134	1.2
72.73585	0.4
73.02905	1.5
79.05495	1.3
81.03423	6.2
81.07067	1.9
85.02911	13.6
86.09706	3.5
87.00835	5.4
91.05453	2.3
93.07047	4.6
95.08602	1.6
97.02898	4.5
97.06546	0.4
99.04460	2.4
105.01885	2.5
105.07038	5.9
107.04951	0.4
107.08602	24.5
109.02889	6.1
109.06533	0.9
109.10136	1.5
117.01859	0.8
117.07017	0.5
119.04976	0.6
119.07810	0.5
119.08595	5.3
121.06498	0.6
121.10160	4.3
123.04495	0.4
123.08138	0.5
123.11713	0.9
125.09647	1.2
127.03928	8.1
129.01814	1.0
131.08575	0.8
132.10204	0.4
133.09123	0.8
133.10138	15.6
135.11627	0.9
137.05960	0.5
137.09569	0.5
139.07512	0.9
143.08556	1.0
145.04951	1.5
145.10156	0.5
149.09651	3.2
151.07599	0.8
151.11200	5.4
159.02885	1.5
161.09615	4.9
167.07001	0.5
167.10687	11.7
167.12120	0.6
173.12917	0.7
173.27531	0.4
179.10690	14.5
179.14291	0.6
187.14375	0.6
197.11746	100.0
198.12088	1.5
201.12331	0.8
213.03929	0.5
231.05028	2.5
233.20883	0.4
245.18610	0.5
313.07037	0.5
345.40521	0.4
362.32162	0.4
408.78497	0.4
427.15948	1.3
445.11377	0.5
445.16803	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75374	0.4
52.48399	0.5
56.05019	0.4
56.80252	0.5
58.06603	2.9
69.94453	1.7
70.06571	0.8
72.08160	19.1
75.09202	0.5
75.57317	0.5
84.08140	4.4
85.21333	0.5
86.09673	1.8
98.09620	0.6
98.21404	0.7
105.88891	0.5
112.11246	6.1
120.63705	0.5
129.13890	0.8
138.66774	0.5
139.05360	1.0
139.71614	0.5
167.04892	1.1
183.04390	1.0
184.05171	1.3
190.02631	1.0
204.04153	0.5
211.03889	3.6
213.05460	1.9
215.06992	0.9
228.04184	1.9
238.04936	1.1
239.03429	2.7
240.02890	1.1
241.04977	1.3
242.05809	0.8
243.06494	1.9
244.12894	0.4
247.06010	0.9
255.05228	1.8
256.03662	10.0
258.05191	1.0
268.02368	1.0
270.07437	0.7
271.05893	2.7
273.07587	2.5
283.04800	5.4
284.03094	3.8
285.07648	1.1
288.02649	1.0
289.07040	2.3
298.03690	0.9
298.07104	15.9
299.05496	72.9
300.05820	2.0
312.08411	0.7
316.08255	2.1
317.06458	3.9
341.08844	0.6
355.12909	2.4
356.11285	41.5
357.11609	0.9
370.12903	3.2
387.15698	1.0
426.20197	1.8
427.18637	7.4
444.21320	100.0
445.21600	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	444.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	10.9
55.97314	0.5
57.05814	2.2
70.00185	2.6
70.06594	4.8
71.06915	0.7
72.08157	100.0
73.08472	0.9
74.29398	0.5
77.75647	0.5
84.04494	0.7
84.08154	1.8
85.02879	0.6
86.09718	3.4
91.05489	9.0
100.11259	1.5
103.05487	1.2
111.09227	0.6
118.06542	16.9
118.07365	0.9
119.05019	0.6
120.08099	6.1
123.04461	1.1
129.10263	1.3
136.07556	4.4
146.05984	3.7
147.04451	0.6
148.07545	1.2
164.07072	2.6
165.05525	2.1
174.05504	7.6
182.08147	4.8
182.09647	0.6
192.06558	6.2
217.11952	0.5
219.15001	0.6
224.66748	0.5
236.10733	0.7
252.70456	0.6
263.13919	31.0
264.14334	0.6
299.05527	1.3
306.13422	0.7
345.14542	1.1
356.11493	0.9
444.21313	3.5
444.27441	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	18.8
56.05037	3.4
57.05823	3.3
59.05008	3.7
60.04526	4.4
69.03420	5.8
70.06597	62.1
71.06918	4.5
71.49000	3.0
72.08158	100.0
81.03418	6.7
83.06101	7.4
84.04498	10.6
84.08148	20.2
85.02908	12.7
86.09227	4.0
86.09714	56.4
87.04471	10.6
89.06037	17.8
91.05487	7.5
95.04959	3.9
97.02896	6.0
101.07166	3.7
107.07066	40.3
109.02872	3.3
112.11270	3.3
118.06561	11.0
119.04951	4.0
119.07037	5.4
120.08128	6.4
121.10174	3.0
127.03927	5.4
129.10233	5.4
130.08607	3.2
133.06079	11.7
136.07565	18.6
146.06021	7.6
159.08054	3.3
159.80347	2.3
161.11714	7.0
164.07101	6.1
171.11349	3.1
171.14940	13.4
173.12921	4.5
179.12794	65.6
180.11400	3.3
182.08156	4.0
199.14374	12.2
202.60338	2.7
219.13368	8.4
229.11760	3.1
232.13286	3.9
235.14484	5.4
246.14377	12.3
256.03680	4.3
263.13965	14.6
282.26184	2.5
288.12485	3.8
298.07144	4.3
299.05438	19.7
306.13367	7.6
312.22879	2.7
356.11325	9.5
359.03000	3.7
384.08463	2.6
401.17584	3.0
426.22964	4.9
427.18832	3.7
444.21170	22.3
445.16388	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	444.177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15501	0.9
55.05506	1.0
58.47000	0.8
67.05493	1.6
69.07069	2.6
70.06595	1.7
70.12790	3.8
72.08147	2.9
79.05520	1.3
81.07059	1.7
82.86056	1.0
83.60962	1.0
84.04483	1.0
84.08142	0.9
86.09720	3.2
87.88845	0.9
91.05477	1.2
92.44219	0.9
93.07029	2.0
95.08601	1.1
97.06542	1.0
98.36801	0.8
101.33503	0.8
101.61871	0.8
105.07074	1.6
106.07366	0.9
107.08640	0.9
108.08932	0.9
115.08679	1.0
119.08590	1.3
121.10172	1.1
132.87021	0.9
133.10133	1.0
135.11674	1.0
135.72250	1.0
140.04941	2.4
149.13356	0.9
154.06526	1.1
155.06044	17.9
163.03880	1.1
165.09077	1.2
167.06044	3.9
168.06856	4.0
169.03900	1.3
169.07622	36.8
170.06007	2.7
179.06079	11.6
181.07645	3.2
181.09114	0.9
182.05994	1.9
182.08395	2.2
183.05563	22.3
183.09206	3.0
184.07628	1.7
185.07137	8.6
192.06996	0.9
193.07616	12.4
194.04622	1.1
194.06172	2.3
195.05540	26.9
196.06317	13.7
197.07120	27.8
198.05515	5.7
199.04996	1.0
201.06650	2.2
207.05571	8.6
208.06270	2.5
209.07114	2.5
210.07803	1.7
211.05101	3.6
211.08650	6.1
213.06607	21.1
221.07127	18.4
223.05057	1.5
225.06606	46.6
226.07338	1.4
227.08218	1.7
229.06108	21.0
237.06566	6.4
238.07469	5.0
239.04509	3.7
239.08150	25.0
240.08632	1.1
241.06076	2.7
243.07600	6.2
249.06622	8.9
253.06113	11.2
255.07813	2.2
256.08469	1.5
257.05444	6.0
265.06067	2.2
267.07669	19.4
267.10382	1.7
269.05734	4.4
271.07138	26.2
277.06149	10.7
283.07135	1.4
285.08728	28.0
295.07169	39.4
312.09830	1.3
313.08188	32.0
330.75323	0.8
331.09348	6.3
338.15079	6.1
368.77594	0.9
380.16031	11.4
384.15573	44.9
385.15710	1.0
398.17154	27.1
408.15317	1.1
426.16602	41.8
427.17194	1.4
444.17688	100.0
445.17859	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	444.177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	1.2
65.51467	1.1
67.05478	2.5
69.03437	1.1
69.07053	2.6
70.06600	2.0
72.08135	4.8
72.08507	1.0
74.23867	1.0
76.84562	1.0
79.05507	1.6
81.03407	1.1
81.07051	2.3
84.08109	2.8
86.09689	2.7
91.05463	2.5
93.07042	2.2
95.08564	1.6
105.07005	3.0
106.07369	1.1
107.08575	1.2
108.08100	1.9
112.66001	1.0
120.08054	1.3
121.10135	1.6
125.09646	1.4
129.10178	1.2
136.03905	2.3
136.07571	6.5
137.09631	1.8
140.04922	3.3
146.06111	1.0
151.07472	0.9
154.04942	3.3
154.06375	1.3
155.06073	17.1
158.41960	1.0
160.03960	2.5
161.20935	1.1
163.03819	1.6
165.09071	6.6
166.06500	1.2
166.09447	1.5
167.06030	5.6
168.06828	3.9
169.07623	32.5
170.05991	3.1
170.08228	1.1
179.06023	12.4
180.04420	1.6
181.07585	3.5
182.06146	1.4
182.08351	1.9
183.05566	16.0
183.09166	2.8
185.07091	8.4
193.07591	12.0
195.05542	28.7
195.09148	1.2
196.06320	17.1
197.07124	27.4
198.05493	5.4
198.07686	0.9
201.06540	1.3
207.05602	5.9
208.06190	1.6
209.07076	3.1
210.07890	1.6
211.05029	3.2
211.08575	5.8
213.06633	21.3
213.10271	1.3
221.07123	20.6
223.05055	1.7
225.06609	47.8
226.07202	1.5
227.08107	2.1
229.06099	19.8
237.06523	3.8
238.07329	4.3
239.04500	2.2
239.08183	22.9
241.06055	2.9
241.09653	2.7
243.07600	6.0
249.06628	9.4
253.06139	8.6
255.07507	2.1
257.05609	5.1
263.13809	1.4
265.06030	3.2
267.07663	16.3
269.05457	4.6
269.08478	0.9
271.04388	1.7
271.07159	27.3
277.06046	10.7
283.07135	1.7
285.08728	29.2
287.10300	5.9
294.08572	1.2
295.03922	2.3
295.07144	39.3
303.10013	1.1
305.11267	10.0
312.09735	2.0
313.08200	30.6
320.14188	1.4
331.09375	7.2
338.14926	9.8
380.16098	17.8
384.15549	46.7
398.17114	37.7
426.16669	39.7
442.09637	1.3
444.17474	100.0
445.17706	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	443.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65760	0.4
55.05513	0.6
56.05015	0.4
56.24380	0.4
58.06602	0.4
59.14004	0.3
60.04533	0.7
60.05653	6.7
69.03436	0.6
69.07072	8.4
69.51320	0.9
69.51745	1.4
70.06598	23.6
72.08159	2.8
74.02502	0.4
79.05494	0.4
81.07048	0.9
84.04523	0.5
84.08181	0.5
85.02913	1.0
86.09711	100.0
87.10022	0.7
91.05480	0.8
95.04966	0.4
95.06136	0.4
95.08592	0.4
97.07648	0.7
105.07056	0.5
110.07172	0.6
112.08726	3.7
113.07137	0.4
114.10310	0.7
115.08696	3.5
116.07091	6.5
120.08105	0.5
121.10187	0.4
127.03944	0.4
128.10730	15.5
128.11728	0.7
130.09785	2.5
131.08543	0.4
133.09726	0.7
136.07625	0.5
156.10214	0.8
156.11325	7.5
157.10883	0.8
158.09245	6.7
175.11922	17.9
185.10344	0.4
199.18085	0.4
211.14447	0.5
226.15495	0.4
229.15520	0.7
250.12067	0.6
251.17648	0.4
263.16629	0.4
269.09448	0.4
269.18735	1.2
271.17657	8.9
288.20389	1.0
299.05484	0.4
299.91177	0.4
333.13672	0.5
356.11536	0.5
399.16287	0.7
401.27765	0.4
425.28967	0.7
443.29810	88.6
444.21417	0.8
444.30154	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	443.279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30812	1.0
51.02374	1.5
51.05022	1.1
53.03938	3.4
55.01881	2.7
55.05276	1.4
55.05516	15.9
57.03434	2.6
57.07079	1.3
65.03942	1.8
67.05505	32.0
69.03428	2.5
69.07066	12.6
70.06590	2.0
71.04984	3.4
71.23332	2.0
79.05495	26.3
81.03387	1.9
81.07059	28.5
83.04971	2.8
83.08630	9.1
85.02904	1.9
85.06537	2.2
86.09702	2.7
91.05489	39.8
93.03387	1.4
93.07052	24.9
95.04967	4.6
95.08611	19.1
97.02915	1.0
97.06534	4.4
97.10145	2.5
103.05466	2.1
105.07038	28.5
107.04960	4.9
107.08595	13.5
109.06535	5.5
109.10154	8.9
111.08119	2.6
113.06059	1.5
115.05450	7.3
117.07024	22.7
119.04923	1.2
119.08590	15.9
121.06512	6.1
121.10155	7.9
123.08083	3.0
123.11700	1.9
125.09659	3.2
128.06233	8.0
129.07011	29.4
130.07811	1.5
131.04964	1.5
131.08574	29.3
133.06497	2.7
133.10124	9.9
135.08098	5.3
135.11697	4.3
137.09599	3.7
139.07605	1.5
141.06989	10.3
142.07765	4.7
143.08578	26.0
145.06514	4.9
145.10146	16.5
147.08047	4.2
147.11705	4.4
149.09598	4.7
151.11186	2.0
153.06949	1.8
154.07808	2.7
155.08563	20.6
157.10139	15.1
159.08049	5.4
159.11693	5.5
161.09605	2.7
161.13268	2.1
163.11148	1.7
165.06981	2.9
165.09129	3.0
166.07793	2.0
167.08580	7.8
168.09363	2.1
169.10118	13.4
171.08069	2.8
171.11708	8.0
173.09644	2.7
173.13286	3.4
175.11217	2.6
179.08580	4.4
181.10132	8.6
183.11668	9.6
185.09630	3.4
185.13216	5.5
187.11243	2.8
189.12691	1.4
192.09326	1.6
193.10132	3.6
194.10898	1.6
195.11734	6.5
197.09648	2.1
197.13295	4.7
199.11145	1.6
199.14870	4.7
201.12779	2.6
206.11041	1.8
207.11687	5.1
209.13307	5.2
211.11160	2.6
211.14818	3.9
213.12845	6.0
221.13240	5.2
223.14819	4.9
225.12759	2.2
225.16463	1.3
227.14362	2.0
229.15971	1.6
231.13721	1.4
235.14856	3.6
237.16399	1.8
239.14371	3.7
241.16014	1.5
245.15437	2.0
253.15964	2.6
255.17386	1.6
257.15524	2.2
259.16998	1.6
265.16028	1.4
267.17316	2.4
271.16949	2.7
285.18616	2.5
305.22568	1.7
323.23712	4.3
327.08685	3.7
333.22156	4.9
341.24762	5.6
351.23227	26.8
354.48499	1.1
369.24268	31.8
387.25327	12.3
388.25955	1.4
415.28290	1.8
425.26920	4.4
443.27936	100.0
444.28021	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	443.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10353	0.7
55.01875	5.4
55.05505	1.9
56.74659	0.7
56.96578	0.8
57.03436	1.5
58.06599	4.9
61.02927	1.9
63.97674	0.6
69.03437	4.9
69.89347	3.7
70.06604	7.0
72.08160	49.9
73.06541	0.8
73.08488	0.8
75.92185	0.8
81.03425	2.0
84.04501	3.8
84.08150	4.1
85.02911	10.3
85.08888	0.7
86.09717	2.0
97.02902	5.0
98.21467	0.9
98.97592	4.2
100.11264	100.0
108.15523	0.6
109.02862	1.0
110.07162	1.6
110.97553	0.8
112.85864	0.7
114.09148	4.3
116.98599	1.4
117.12578	0.7
117.13907	13.4
120.08112	1.0
121.06499	0.8
122.07152	1.4
123.04436	41.9
123.07928	1.7
123.63802	0.7
126.09164	9.9
127.03962	1.8
129.10223	1.0
134.54427	0.6
135.04443	2.1
137.05963	1.8
143.00188	0.7
145.05031	0.8
147.04372	0.8
151.03955	1.0
158.99692	0.8
161.01195	1.0
163.03957	5.1
165.05482	9.0
169.13306	1.0
177.00722	0.7
218.11758	14.5
236.10432	1.6
236.12820	27.0
237.02933	1.2
263.17590	7.1
281.18619	88.3
282.19000	2.1
309.08344	0.8
327.09479	0.7
332.31155	0.7
380.16962	1.0
425.23096	3.5
443.23944	85.5
444.24310	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.1
54.51200	1.5
55.01866	4.7
55.05267	3.1
55.05513	35.3
57.03428	7.4
57.07082	2.8
57.15792	1.6
59.04997	7.2
61.02926	7.2
66.57859	1.8
67.05497	4.8
69.03437	24.0
69.07063	5.9
70.06596	35.2
71.04993	5.0
71.47528	3.2
72.08154	16.4
73.02920	4.0
74.06080	1.7
79.05493	10.9
81.03426	15.6
81.07056	13.3
83.01334	1.8
83.04984	38.3
84.04523	3.0
84.08165	11.7
85.02907	66.6
85.06536	6.3
86.06068	3.2
86.09706	12.8
87.04477	4.2
91.03965	2.6
91.05492	14.5
93.07055	17.6
95.04985	18.9
95.08608	5.9
97.02896	21.1
97.06551	4.2
99.04453	5.6
100.11269	6.9
101.06020	21.1
103.03957	2.2
103.05466	1.8
105.07028	21.2
107.04958	4.6
107.08604	19.2
109.02871	8.1
109.06513	10.4
109.10158	6.3
110.07216	4.0
111.04443	2.0
114.09184	6.0
115.05485	2.6
117.07046	7.9
119.04900	3.0
119.08591	25.6
120.08134	3.8
121.06520	8.6
121.10147	17.2
123.04476	3.6
123.08063	8.0
125.05989	4.8
127.03916	15.6
128.06207	3.3
129.07037	4.3
129.10271	4.1
131.08575	6.2
133.06520	3.7
133.10126	13.2
135.08086	11.2
135.11687	5.9
136.07573	10.3
137.05968	4.7
137.09608	7.4
139.03888	2.4
143.08580	7.5
145.04938	8.3
145.06493	4.1
145.10123	17.9
147.04439	3.9
147.08069	29.4
147.09148	2.5
147.11610	2.6
149.06004	2.7
149.09584	3.6
151.07579	3.2
155.08455	1.9
157.10143	5.3
159.08064	13.4
159.09198	2.7
159.11694	5.5
161.09647	16.5
161.13187	3.1
163.07564	2.9
163.11185	100.0
165.05530	2.8
165.09187	2.3
169.10135	2.4
169.13412	2.2
171.07990	3.2
171.11656	3.0
173.13242	2.4
175.11151	3.5
175.14886	3.2
177.09126	16.2
179.08638	1.7
179.10670	6.2
181.08641	3.7
181.12239	34.7
183.11520	2.1
185.13319	4.7
187.11159	4.2
189.09116	6.6
193.57275	1.8
195.02863	8.6
195.10051	2.9
197.12996	1.8
199.14729	3.9
203.14308	8.0
205.08618	3.1
205.12265	5.3
207.10159	20.7
211.14394	2.8
213.05530	2.0
215.14253	2.3
223.13341	4.4
227.14302	4.8
233.15369	3.8
245.15378	21.2
257.04431	2.0
263.13940	2.3
263.16440	55.3
265.05261	3.3
277.05164	2.0
281.08273	2.4
281.14783	4.4
281.17523	29.1
299.05499	6.3
323.09451	3.2
337.06860	2.1
356.11255	6.2
373.13892	1.7
394.74417	1.8
399.16309	5.2
425.13919	2.2
425.21707	4.2
425.26434	10.1
443.14349	8.0
443.22861	22.7
443.27765	4.5
444.21530	8.5
466.77637	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1915
Annotation	Lusitanicoside
Peak:m/z	Relative Intensity
51.53070	3.8
69.03430	7.7
69.91441	14.2
70.06595	100.0
72.08125	4.6
74.06074	12.5
79.05507	5.1
84.08155	4.3
85.02901	4.3
86.09717	49.4
91.05461	5.0
93.07036	4.4
95.08589	5.4
98.21523	4.3
105.07024	14.7
107.08585	8.2
109.02875	3.2
109.06538	5.6
113.86732	3.5
119.08554	6.0
121.10113	3.6
123.08057	5.4
133.10130	5.5
135.08046	38.2
137.09627	4.1
141.06613	4.5
143.08597	5.5
161.09622	11.2
171.11325	15.4
173.09544	7.6
183.14902	9.3
187.11198	19.3
199.10796	19.6
211.14455	8.0
215.10641	10.2
233.11707	24.6
245.11839	17.5
245.18661	6.7
254.72432	3.3
263.12833	11.9
267.56488	3.8
312.19067	6.8
342.24152	8.3
350.13467	3.8
403.91312	3.8
443.28610	19.0
469.87146	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	443.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03469	3.9
55.04250	3.3
57.03437	0.6
69.03425	2.6
70.02950	0.8
70.06605	4.5
70.98084	1.3
72.08172	3.6
73.02888	0.9
75.37263	0.6
78.13291	0.6
80.05021	0.9
81.03430	1.1
81.04544	21.0
82.05330	8.4
83.38737	0.6
83.85213	0.7
84.08145	1.6
85.02897	3.3
86.09713	1.1
97.02888	2.1
100.11263	5.6
108.05592	1.1
110.07173	1.0
115.14601	0.6
122.07160	100.0
123.04412	1.8
123.07941	98.4
127.03932	0.9
129.10242	1.1
134.62402	0.6
144.04839	1.0
160.04317	2.5
163.03906	2.5
165.07732	3.3
236.12837	0.8
271.81781	0.7
281.10690	64.0
281.18652	3.4
282.10934	1.0
323.11624	0.8
443.15982	83.4
443.23026	2.5
444.16306	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	441.3731
Annotation	21alpha-Hydroxyonocera-8(26),14-dien-3-one
Peak:m/z	Relative Intensity
52.64081	1.4
55.05508	5.4
57.07076	4.0
59.04977	1.8
67.05518	12.2
69.07081	9.5
71.04958	2.1
71.48531	2.3
79.05494	5.9
79.33923	1.6
81.07057	17.2
83.08624	5.5
85.06535	2.2
87.04475	2.3
91.05492	6.3
93.07049	18.3
95.08612	32.9
97.06568	2.5
97.10148	2.1
105.07040	15.1
107.08607	23.5
109.06510	4.5
109.10168	20.2
109.50714	1.7
111.08082	4.4
117.06977	1.8
117.68478	1.4
119.08575	22.7
121.10155	21.1
121.46001	1.5
123.11709	12.1
125.09619	2.5
125.13275	1.8
129.07076	1.6
131.08566	3.8
133.10141	64.9
135.11710	21.7
137.09647	3.9
137.13287	3.3
139.11229	1.8
145.10133	10.4
147.11693	12.8
149.13289	11.0
151.11223	1.7
157.10153	2.7
158.10942	1.7
159.11716	19.4
161.13210	11.3
163.11243	2.0
163.14839	8.3
171.11696	4.0
173.13275	11.4
175.14832	14.0
177.12759	7.2
177.16422	5.4
185.13286	1.9
187.14821	12.9
189.16367	11.8
191.14374	2.2
191.17984	13.7
199.14894	5.0
201.16461	12.9
203.17952	10.4
205.15874	4.0
205.19545	2.0
207.17580	2.5
215.17969	13.9
217.19496	4.1
219.17467	3.1
221.19043	2.0
233.19032	6.2
243.20844	2.1
261.22150	1.8
346.20340	1.5
395.06543	1.6
405.35349	4.4
423.36319	19.5
441.37378	100.0
442.37683	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	441.3732
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
53.03938	0.3
55.05516	2.5
57.07076	1.4
65.03691	0.2
65.03995	0.2
66.66708	0.2
67.05508	4.7
69.07074	5.2
70.66805	0.8
71.08619	0.5
72.25893	0.2
77.81540	0.2
79.05499	2.4
81.07062	12.4
83.05010	0.3
83.08636	2.5
86.99608	0.2
91.05487	2.4
93.07053	6.9
95.04972	0.6
95.08612	15.4
96.08933	0.4
97.06540	0.3
97.10176	1.6
105.07032	3.3
107.08604	10.4
109.06520	0.8
109.10162	12.5
111.08092	0.5
111.11726	0.4
113.55045	0.2
119.08581	5.1
119.09380	0.4
121.06528	1.5
121.10152	10.8
123.08092	1.2
123.11720	9.7
125.09621	0.8
131.08563	0.9
133.10153	4.3
135.08070	2.8
135.11696	6.6
137.09607	0.9
137.13257	5.6
139.11195	0.6
143.08662	0.3
145.10133	1.8
147.08078	0.3
147.11699	3.2
149.09630	2.5
149.13264	5.2
151.11180	1.7
151.14841	0.9
157.10132	0.7
159.08203	0.3
159.11713	1.7
161.09639	0.6
161.13263	2.8
163.11209	1.0
163.14807	2.3
163.93893	0.3
171.11743	0.6
173.13271	1.5
175.11194	0.9
175.14870	2.4
177.12776	0.9
177.16376	1.0
183.11697	0.3
185.13316	0.8
187.14796	1.2
189.12750	0.5
189.16391	2.5
191.14343	0.6
191.17941	2.9
199.14864	0.8
200.18275	0.3
201.16426	0.9
203.14362	0.9
203.17963	1.9
205.15919	0.7
205.19499	0.6
213.16443	0.5
215.18057	0.7
217.15887	0.8
217.19582	0.7
219.17458	0.4
223.16829	0.3
229.19572	0.3
231.17558	0.6
248.16016	0.2
253.19522	0.3
258.67526	0.3
259.24271	0.8
269.22836	0.3
273.25711	0.3
287.23685	6.1
301.25296	5.3
302.25497	0.4
345.27850	0.4
405.35291	0.5
423.36258	1.3
441.37302	100.0
442.37656	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3731
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
51.16236	0.4
52.94378	0.4
55.05513	2.3
57.07071	1.1
65.03946	0.4
66.70066	0.4
67.05504	3.9
67.76287	0.4
69.03423	1.0
69.07065	4.7
69.50106	3.2
71.08618	0.5
79.05476	2.0
81.07060	9.9
81.25949	0.5
83.04975	3.5
83.08642	2.0
87.04469	0.5
91.05470	1.8
93.07047	6.0
95.04995	1.1
95.07999	0.8
95.08606	15.9
97.06513	1.1
97.10155	1.4
105.07039	3.6
107.08595	10.8
108.93136	0.4
109.06547	1.2
109.10153	8.9
109.10840	0.7
111.08092	0.9
111.11729	1.2
117.07043	0.4
119.08577	6.6
121.06522	1.5
121.10150	8.4
123.08096	2.0
123.11700	5.1
125.09636	0.7
131.08591	1.3
133.06645	0.5
133.10124	4.4
135.08069	2.9
135.11696	10.0
137.09631	1.8
137.13240	3.8
137.28287	0.4
139.11237	0.8
143.08583	0.6
145.10110	1.6
147.08020	0.5
147.11653	3.4
147.20189	0.4
149.08432	0.5
149.09624	11.1
149.13251	3.8
151.11166	0.5
159.11711	2.4
161.09695	0.5
161.13234	3.0
163.11154	1.6
163.14842	1.9
171.11658	0.7
173.08255	0.5
173.13266	1.7
173.93439	0.4
175.14838	2.5
177.12704	0.9
177.16406	3.8
179.14462	0.5
183.92230	0.4
185.13271	0.5
187.14838	1.3
189.16374	4.9
191.10678	1.1
191.14345	0.7
191.17944	4.6
193.15799	0.5
193.45555	0.4
199.14734	0.4
201.16389	0.8
203.18005	1.1
205.15790	0.6
205.19572	1.3
207.17488	1.9
213.16423	1.0
215.17929	2.6
217.15878	0.6
219.17465	1.7
225.44255	0.4
227.17989	0.7
229.19414	0.5
231.17453	0.7
233.18993	5.4
235.16907	1.3
243.21158	0.9
245.19023	0.9
247.20605	0.6
261.22226	0.5
269.22714	0.8
273.22043	0.6
285.22183	0.7
287.23697	8.4
301.25430	0.6
357.27982	0.8
423.36313	1.7
428.02014	0.4
441.37289	100.0
442.37509	4.1
450.62308	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.373
Annotation	12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoic acid
Peak:m/z	Relative Intensity
55.05510	12.9
57.07076	9.0
66.37856	3.1
67.05508	28.6
69.07065	20.3
69.16824	30.4
71.08657	3.6
79.05490	11.6
81.07063	87.1
83.08624	8.5
91.05480	9.2
93.07040	25.8
94.25149	3.1
95.08610	100.0
95.73985	3.0
97.06503	4.3
97.10147	3.4
99.08067	6.1
105.07042	18.7
107.08605	31.6
109.10178	42.1
117.06998	5.5
119.05952	2.9
119.08600	20.5
121.10138	29.3
123.08107	8.0
123.11739	21.2
125.09673	5.3
131.08528	3.8
133.10124	20.0
135.08047	4.5
135.11688	23.4
137.09576	3.7
137.13264	54.2
141.09129	3.8
145.10143	10.6
147.11679	19.5
149.13274	14.5
151.07559	9.6
151.14885	4.3
157.10152	4.4
159.11745	12.9
161.13297	10.2
163.14819	11.1
173.13310	5.6
175.14832	5.9
177.16370	5.4
185.13322	3.2
189.16397	9.5
191.10616	4.6
191.17938	17.7
193.19528	4.6
199.14890	4.8
201.16382	7.6
203.18114	5.2
213.16348	6.1
215.18022	7.3
217.19580	4.3
227.18007	3.9
229.19519	4.5
231.21159	4.4
235.16837	4.7
423.35828	9.4
441.28104	12.0
441.37421	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	441.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59158	1.4
53.34657	1.6
55.05524	11.6
57.03439	2.9
57.07060	7.7
67.05506	19.7
69.03431	3.0
69.06739	1.8
69.07079	24.7
71.04984	3.1
71.08640	13.0
79.05494	10.7
81.07069	29.5
83.04995	3.5
83.08630	12.4
84.99437	1.7
85.06557	3.3
85.99075	1.5
91.05467	11.1
93.07041	18.1
95.08614	30.3
97.06548	2.9
97.10170	5.5
99.08109	13.0
105.07039	10.3
107.08596	20.8
109.06524	12.6
109.10170	13.2
111.04414	3.5
111.08080	4.6
112.23981	1.8
117.06985	3.6
119.08604	14.2
121.06564	4.5
121.10156	14.4
123.08075	40.7
123.11701	5.2
131.08588	4.7
133.10159	10.3
135.08066	10.7
135.11722	8.4
137.09644	3.9
137.13240	4.0
145.10132	6.0
147.11719	8.0
149.09651	6.5
149.13252	7.3
151.11180	2.5
151.14737	1.8
153.12766	4.7
159.11700	4.8
161.13251	4.5
163.14807	2.4
163.92844	1.9
165.12715	2.2
165.70879	1.7
167.14262	2.6
169.15178	2.0
173.13324	3.3
175.14836	4.2
177.12770	4.0
179.14325	53.4
189.16270	4.1
191.14333	4.9
193.15907	4.5
201.16391	2.1
215.17984	1.9
233.19035	2.1
247.20351	1.7
251.20102	16.8
275.20123	2.8
293.21176	12.3
293.28571	2.5
303.26816	18.2
321.27893	5.4
331.26340	73.7
349.27393	71.1
349.30542	1.3
405.30450	3.5
423.31122	100.0
424.30930	2.5
454.82648	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.9
55.01868	1.6
55.05512	2.2
57.03441	1.2
59.05000	0.5
65.03928	0.6
65.48660	0.4
67.05512	6.3
69.03433	15.9
69.07069	4.3
69.22684	4.8
70.06592	0.6
70.30007	0.5
71.04994	1.5
73.02905	0.7
79.05511	2.3
81.03424	11.1
81.07053	6.2
83.04977	1.8
83.08627	2.2
85.02914	6.2
85.06557	1.1
87.00858	2.9
91.05483	2.2
93.07050	5.6
95.04968	2.0
95.08608	7.3
97.02892	4.7
97.06541	1.9
99.04446	2.6
99.08067	0.6
105.01883	1.2
105.07018	3.6
107.04937	0.6
107.08601	8.2
108.87250	0.5
109.02885	9.9
109.06534	4.7
109.10160	9.7
111.08086	4.9
119.08582	7.2
121.06507	0.5
121.10179	2.8
123.08077	3.5
123.11703	2.1
125.09629	1.9
127.03918	8.3
131.08554	0.9
133.10138	6.4
135.11696	8.4
137.09624	100.0
138.09900	0.7
145.04964	2.0
145.10155	1.7
147.11711	1.9
149.13263	0.8
151.11215	1.6
151.14771	0.8
165.09192	1.1
175.14833	11.0
185.13243	0.6
193.15894	80.2
194.16225	0.8
231.05020	5.4
249.06102	0.6
256.95047	0.5
299.87885	0.5
306.71545	0.5
441.21323	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40447	0.7
53.03949	2.5
53.41124	0.6
53.49263	0.7
55.01870	2.4
55.05510	2.0
57.02456	0.7
57.03448	3.0
59.04998	0.6
61.02931	0.8
62.92812	0.7
65.03968	0.9
67.05510	7.0
69.03432	27.1
69.07069	5.6
70.06588	1.5
70.72829	0.9
70.73148	1.1
71.05006	2.0
79.05484	3.3
81.03423	18.7
81.07061	9.2
83.04984	1.8
83.08617	3.2
84.08104	1.0
85.02909	10.9
86.09750	0.9
87.00823	4.8
91.05458	3.6
93.07049	7.5
95.04975	1.4
95.08607	7.7
97.02901	7.6
97.06526	2.2
97.10220	0.9
99.04449	5.4
105.01865	1.7
105.07038	4.9
107.04931	0.9
107.08598	8.9
109.02879	14.5
109.06507	5.1
109.09466	1.5
109.10155	12.9
111.08095	7.5
117.07031	0.7
119.08588	9.3
121.06499	0.9
121.10163	4.7
123.08078	6.0
123.11703	3.9
125.09644	1.4
127.03921	16.7
129.01907	0.9
129.06844	0.9
131.08601	1.2
133.10135	9.2
135.11685	11.4
137.09622	100.0
138.09956	1.1
143.08582	0.9
145.04948	3.9
145.10118	2.6
145.66360	0.7
147.11678	1.9
149.09596	1.0
149.13274	1.3
151.11179	1.6
157.10156	1.5
159.02998	0.8
159.11716	1.5
163.07593	0.9
165.09132	3.9
171.11623	1.2
173.09550	0.8
173.13286	1.5
175.14827	14.8
185.13199	0.8
193.15889	97.6
205.12221	0.9
231.05020	11.0
249.06009	1.2
310.81882	0.7
343.68707	0.7
366.68240	0.8
409.13388	0.9
441.21271	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	441.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.9
54.76104	0.9
55.01860	2.9
55.05526	5.5
55.78334	0.9
55.97392	0.9
57.03421	2.6
57.07076	2.1
61.02920	2.7
67.05503	6.7
68.99791	2.6
69.03084	1.5
69.03432	13.8
69.07079	10.0
69.94910	0.8
70.06599	1.8
70.83497	1.8
73.02926	1.5
79.05503	6.4
79.05891	1.3
81.03430	4.8
81.07053	5.8
83.08620	3.9
85.02440	1.5
85.02916	23.2
85.06555	5.7
85.23163	1.3
87.00828	11.2
87.04463	1.0
91.05492	7.6
93.07055	10.4
95.04950	1.4
95.08614	21.9
97.02900	17.3
97.06528	1.8
99.04453	2.9
101.02367	2.9
103.03918	1.0
103.90611	0.9
105.01872	8.8
105.07041	15.6
107.08611	26.3
109.02892	6.8
109.06503	2.3
109.10168	15.3
111.08057	3.9
113.02341	1.2
115.03956	3.0
117.01869	2.2
117.07021	3.0
118.82043	1.0
119.08594	42.9
121.06489	1.4
121.10156	36.6
123.08103	1.0
123.11692	2.4
125.02370	6.5
127.03924	12.5
129.01830	2.3
131.08569	3.3
133.09119	2.0
133.10143	39.9
134.10924	1.8
135.08023	1.1
135.11688	8.0
137.09630	1.6
143.03395	2.2
143.08589	1.8
145.04953	3.9
145.10146	10.0
147.02919	1.5
147.11710	11.3
149.13245	4.2
157.10095	1.8
159.02936	2.0
159.11691	4.4
161.09581	1.7
161.13293	10.1
163.14832	1.5
171.11716	1.4
173.13275	2.6
175.14842	100.0
176.15172	1.4
177.16393	35.8
183.69128	1.0
185.13277	2.1
187.14851	9.9
188.15536	1.3
189.04033	1.9
189.16374	2.2
193.15884	10.7
205.15894	23.7
213.16484	1.0
217.15831	2.6
229.03468	1.6
229.15886	1.4
231.05013	5.2
235.16986	1.1
241.15955	1.6
249.06158	2.0
283.16934	4.1
301.18073	5.0
319.19189	1.5
387.17938	1.6
405.19000	3.3
423.19913	2.5
441.21286	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	441.092
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	14.5
64.44614	1.1
67.49596	1.1
71.47700	1.4
71.48100	1.4
72.08134	1.5
84.96033	7.2
85.02905	1.6
86.09743	1.6
98.97591	100.0
101.00914	1.6
103.83117	1.3
110.97576	43.9
112.99136	1.6
116.98630	19.1
124.99142	5.6
128.98611	18.4
134.99683	2.2
140.98615	12.1
143.00160	15.0
144.98123	1.5
145.01764	1.3
146.99637	4.1
152.98581	6.2
155.00096	1.4
158.99669	40.5
161.01230	5.5
163.03947	3.1
170.99666	31.2
177.00716	17.7
182.99661	27.3
189.00706	16.6
194.99658	2.2
201.00722	54.0
207.01785	4.0
213.00717	4.9
217.05592	1.2
219.01772	36.2
231.01750	3.8
237.02826	12.0
239.05251	1.4
243.01785	21.2
245.04979	1.7
261.02832	88.9
262.03397	1.7
273.02670	7.6
279.03882	41.2
291.03888	14.8
292.21387	1.2
297.04865	1.4
307.08777	2.4
321.04959	39.0
333.05014	4.9
351.06097	6.6
381.06989	1.8
399.08170	2.9
441.09177	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	441.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12345	1.0
51.21525	1.0
56.96566	13.8
60.70060	1.1
61.93703	1.0
66.32117	1.0
66.61037	1.0
69.55046	2.1
69.55452	4.3
70.06575	2.4
72.08146	1.0
77.99418	1.0
84.96033	9.6
85.60173	1.1
89.03913	2.9
89.67635	1.0
91.05472	1.3
91.26080	1.0
98.21436	1.8
98.97585	100.0
101.00867	1.6
104.30202	1.0
110.97569	40.0
110.98337	2.0
112.99143	2.9
116.07111	1.6
116.98618	20.7
116.99442	1.2
117.03351	1.5
119.01960	1.4
124.99125	5.2
127.00670	2.0
128.98598	20.8
131.00127	1.7
134.99661	2.1
135.04414	2.4
136.07559	3.5
140.98589	12.5
143.00168	15.4
146.99640	4.4
152.98610	6.0
158.99655	39.4
161.01228	7.3
163.03937	9.7
170.99652	28.6
177.00739	21.6
182.99657	26.4
189.00699	17.7
201.00702	51.1
207.01784	3.5
213.00681	4.1
219.01767	36.4
221.02960	1.5
231.01790	3.6
237.02829	13.0
243.01762	20.6
245.05203	1.4
255.03838	2.3
261.02835	89.5
262.03265	2.3
273.02838	10.8
279.03885	42.9
291.03851	15.5
292.37912	1.0
297.04932	1.5
303.03806	2.5
309.04700	1.5
319.99973	1.1
321.04935	35.9
333.04919	4.4
351.06122	6.5
381.07208	5.7
399.08054	2.9
407.64130	1.1
441.09070	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	440.149
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.4
57.55057	1.3
58.85673	1.3
58.99593	6.3
60.04528	1.2
61.01183	1.3
67.05501	1.8
69.03431	4.1
69.07062	2.4
70.06598	10.1
72.08172	2.2
74.06086	1.1
76.02230	10.1
81.03421	2.7
84.04504	3.1
84.08153	5.2
85.02914	4.1
85.95905	1.0
86.09707	4.0
86.99061	2.2
88.03990	2.0
91.05505	1.7
98.20670	1.9
100.02207	8.5
103.05499	1.2
105.00098	2.5
105.07018	1.5
110.07222	1.8
111.08109	2.8
112.08440	2.2
115.44358	1.1
119.04984	1.2
119.08613	1.3
120.08120	2.3
125.09639	3.4
126.10018	1.7
127.03938	1.2
129.10236	1.8
131.04897	1.6
135.08095	1.3
136.07579	3.1
138.05475	2.0
145.07568	2.8
146.02713	10.9
147.04422	2.2
151.03922	4.5
157.12311	1.2
158.09636	2.2
170.09625	1.3
172.07610	3.3
173.13283	1.3
175.08685	5.7
185.10800	1.6
186.09161	5.0
187.12140	1.4
188.03807	2.6
189.10245	3.9
191.14363	5.2
192.14671	7.5
196.04245	2.1
196.07539	3.0
198.09186	5.4
199.08614	1.4
210.09209	1.4
212.09268	2.3
213.10211	14.5
214.08630	4.2
214.10759	1.8
215.08173	3.0
215.11855	4.0
217.09753	6.5
218.05305	1.9
226.07124	1.8
227.08275	1.6
227.11784	3.9
231.11237	1.5
235.10754	9.6
239.08176	1.6
240.08839	6.0
241.09731	42.7
242.04941	1.8
242.08128	7.1
242.10352	2.5
243.09224	1.6
243.11353	22.2
254.06407	1.8
254.10553	2.6
255.11310	6.7
258.12430	12.4
259.10770	32.8
260.09180	3.4
270.07794	1.7
271.09116	1.5
271.13028	3.2
273.12341	2.5
277.11823	2.0
282.10013	1.4
283.10803	9.7
284.09091	2.5
285.12323	13.8
286.09283	1.7
299.08521	4.6
301.11835	40.3
301.15195	2.3
302.10156	2.9
303.08612	4.9
303.13422	7.0
317.09991	2.1
317.13730	27.8
318.12650	5.7
319.12961	7.2
325.11658	2.1
360.13727	3.2
362.11700	12.3
363.10031	6.3
378.14932	2.9
404.07788	2.4
404.12750	30.1
405.11154	10.1
422.13837	100.0
423.12158	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	439.3578
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
55.05510	12.4
57.07072	14.2
67.05507	32.7
69.07079	27.0
69.74012	4.0
71.05001	5.6
71.08633	9.3
71.49027	6.5
71.49385	4.8
72.04515	32.5
79.05470	15.9
81.04532	4.7
81.07058	65.1
83.08635	9.9
85.06540	8.5
89.06028	14.0
91.05472	13.0
93.07061	21.6
95.04959	6.8
95.08617	70.8
97.10174	7.8
99.08083	4.7
105.07042	28.1
107.08596	46.5
109.10168	44.2
111.11744	7.5
113.09543	4.3
114.58223	4.5
119.08582	36.2
121.10145	35.1
123.08028	9.6
123.11758	20.8
125.09579	6.5
131.08571	13.4
132.04764	18.2
133.08617	8.7
133.10141	24.9
135.11705	32.3
137.13228	14.6
143.08549	5.5
145.10130	18.7
147.11697	33.1
149.09546	5.8
149.13251	16.4
151.66241	4.4
157.10135	9.6
159.11670	14.2
161.13255	18.5
163.11200	4.0
163.14833	13.0
165.12804	5.7
171.11681	9.2
173.13254	13.1
175.14902	15.9
177.16365	4.4
181.19269	4.4
183.11710	5.4
185.13211	6.9
187.14752	8.8
189.16357	14.6
191.17972	35.3
199.14816	10.9
201.16348	7.3
203.17961	14.6
203.39844	4.2
213.16231	7.8
215.17961	6.9
217.19611	8.1
223.21960	4.6
229.19560	6.8
231.17461	4.7
231.21043	4.3
233.15335	6.8
235.16931	16.0
239.14900	17.4
240.15257	7.7
259.20654	4.2
287.01202	4.1
421.34744	32.6
439.36157	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3576
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
55.05503	5.5
57.07077	3.3
63.12994	1.5
67.05511	12.1
69.07070	13.4
69.46232	2.1
69.46640	8.8
70.95177	1.3
71.04996	1.6
79.05491	5.8
81.06654	2.0
81.07060	21.5
83.08618	6.4
85.06578	1.6
89.06030	5.9
89.14458	1.5
90.06354	1.7
91.05484	5.7
93.07053	12.1
95.04921	2.0
95.08617	54.6
97.10197	2.6
105.07022	10.4
107.08602	20.8
109.10170	15.5
117.07075	1.8
119.08579	13.9
121.10148	18.0
123.08075	2.3
123.11691	8.2
125.09674	1.7
131.08565	5.4
133.08601	3.8
133.10138	14.0
134.08940	1.9
135.08087	5.3
135.11687	10.0
137.13260	6.6
142.07803	1.9
143.08644	1.8
145.10147	6.6
147.11731	9.8
149.09627	6.0
149.13271	7.7
157.10156	2.7
159.11688	4.1
161.09622	2.7
161.13182	3.1
163.11172	1.9
163.14859	3.8
171.11723	3.4
173.13284	5.8
175.14897	7.1
185.13297	3.3
187.14833	4.2
189.12836	1.9
189.16417	5.3
191.17967	8.8
191.35577	1.5
195.11984	1.6
197.13298	1.5
199.11319	1.7
199.14864	2.0
201.16388	2.4
203.17867	3.1
209.13428	1.6
211.14812	1.5
215.14349	2.3
215.18022	1.9
217.15887	2.5
223.14758	1.7
229.19479	2.5
231.17444	2.0
231.21292	1.8
239.15027	2.4
240.15314	2.0
269.18918	1.6
283.20700	5.7
285.22177	1.6
301.21777	1.8
327.26825	3.7
403.33429	2.6
421.34714	45.6
439.35767	100.0
440.36227	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09557	2.3
51.40019	2.2
53.34980	2.0
55.05507	12.5
55.77010	2.6
57.07073	3.6
59.89371	2.0
67.05518	15.3
69.07076	18.1
70.54525	7.6
79.05473	7.9
81.07055	31.9
83.08611	9.5
89.06033	4.2
90.06362	2.5
91.05472	8.5
93.07043	31.1
95.08611	62.7
97.10162	6.0
105.07041	26.1
107.08599	48.7
109.10166	34.5
115.91263	2.5
119.08591	50.6
120.92076	2.6
121.10139	39.2
123.11749	12.6
131.08545	3.3
133.08607	3.8
133.10153	44.7
135.11708	32.0
137.13211	2.6
145.10106	6.9
147.11696	42.5
149.13243	16.5
153.09100	8.3
159.11699	7.0
161.13280	17.7
163.14799	18.8
167.10664	5.7
173.13298	3.7
175.14783	16.2
177.16368	11.1
186.01950	2.4
187.14818	4.8
189.16386	45.7
191.17972	78.8
199.14871	2.6
201.16389	8.9
203.17969	100.0
205.19527	20.2
207.17455	3.5
215.18007	3.7
217.15816	4.0
217.19568	11.1
221.15547	2.8
221.19040	5.7
229.19431	3.7
231.17400	4.0
231.21112	3.1
235.16898	3.3
239.15096	2.9
249.18495	15.5
393.35098	10.5
421.34552	3.8
439.35788	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	439.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	10.8
57.07077	12.7
63.72041	1.2
65.91862	1.2
67.05183	1.9
67.05509	23.8
67.54955	1.1
69.06737	1.5
69.07076	19.8
69.92767	1.1
71.08621	4.8
71.22494	2.2
79.05503	9.4
81.07062	81.0
83.08620	12.2
85.10188	3.2
89.06043	4.2
89.43944	1.1
91.05486	6.4
93.07059	12.9
95.08613	100.0
97.10164	5.0
104.20037	1.3
105.07032	12.4
107.08605	14.9
109.10165	41.1
111.11707	1.8
117.07008	3.0
119.08598	13.0
119.33969	1.3
121.10130	13.7
123.10847	1.8
123.11712	33.4
125.09689	1.2
129.07071	1.4
130.07657	1.2
131.08604	9.4
133.08592	2.5
133.10136	7.5
135.11717	9.6
137.13260	55.2
143.08554	5.5
145.10121	12.6
147.11694	7.4
149.13268	6.7
151.14825	3.5
157.10138	7.4
159.11673	7.7
161.13257	3.6
163.14822	2.5
171.11720	8.1
173.13275	5.3
175.14847	5.6
177.16473	1.8
179.17964	6.7
185.13321	6.2
187.14801	7.0
189.16412	2.7
191.17981	2.9
193.19621	1.7
199.14828	10.8
201.16341	7.7
203.18016	2.6
205.19531	1.8
213.16393	12.2
215.17929	8.6
217.12300	1.7
217.19402	2.2
227.17874	3.3
239.14888	1.3
241.19501	6.5
243.21071	6.9
245.15263	2.0
254.38918	1.2
255.21098	6.2
257.22629	1.7
259.17038	7.3
269.22623	5.4
273.18552	1.6
287.20190	2.7
301.21652	1.5
315.22916	1.8
359.72375	1.3
379.05075	1.3
393.35165	22.0
421.34689	1.9
422.35382	1.7
439.35959	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	439.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.4
55.01864	0.9
55.05504	2.8
57.03440	1.0
57.07084	0.6
57.37984	0.5
61.02924	1.0
65.03935	0.6
67.05504	4.5
69.03431	8.2
69.07075	3.1
69.17658	4.7
70.06609	2.3
71.04976	0.8
79.05499	6.8
79.96964	0.4
81.03421	2.2
81.07069	5.7
83.04982	3.3
83.05399	0.5
83.08622	1.2
84.08155	0.6
85.02915	4.0
85.06560	0.7
86.09720	4.3
87.00831	1.3
91.05485	7.7
93.07055	4.9
95.04973	4.3
95.08631	2.3
97.02894	1.8
97.06536	1.1
98.09676	1.6
99.04457	0.7
100.11282	1.4
103.37788	0.5
105.01879	0.8
105.06325	0.5
105.07040	13.7
107.04983	3.5
107.08601	17.3
109.02885	2.4
109.06515	3.0
109.10168	7.8
110.07232	0.8
111.04442	1.7
111.08060	0.6
115.05452	1.8
117.07021	1.7
119.06073	0.7
119.08595	5.3
121.06519	2.8
121.10146	11.1
121.10937	0.9
122.07303	6.1
123.04459	0.5
123.08113	1.5
123.11713	0.6
125.06022	0.6
125.09613	0.9
127.03923	3.7
128.07095	1.0
129.07089	0.5
131.04973	0.5
131.08582	3.2
133.06590	2.8
133.10139	100.0
134.06851	1.0
134.10487	1.2
135.07140	0.7
135.08075	6.2
135.11696	1.4
137.06015	1.1
137.09624	48.7
143.08566	1.5
145.10150	2.5
147.08046	0.9
147.11722	2.9
149.09639	5.5
149.13269	8.1
151.07524	0.5
151.11171	0.8
156.07730	1.1
156.09142	0.6
158.10954	1.5
159.08113	0.8
159.11711	0.6
161.09616	4.2
161.13326	0.5
163.11171	0.6
163.14821	2.6
168.13892	0.8
170.15398	0.8
171.08171	0.6
171.11798	0.6
173.13271	6.0
175.11127	1.0
175.15019	0.5
182.15417	0.6
187.11154	0.7
187.14984	0.5
189.09094	1.3
189.12769	1.3
191.06992	1.0
191.14322	39.2
192.14610	0.7
196.13333	1.1
198.14970	1.0
207.13824	0.7
210.14871	1.1
213.08649	0.6
215.14429	0.7
231.04956	0.7
233.15289	0.8
248.05710	0.5
273.14880	0.5
277.10959	0.5
315.06888	0.6
317.17282	0.6
335.18484	1.2
353.15707	0.6
395.16803	1.4
403.17468	0.5
421.19193	0.6
422.30185	0.7
439.14908	3.1
439.32886	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.3
55.01864	1.9
55.05510	2.6
55.47214	0.7
57.03424	2.0
58.74538	0.7
62.24508	0.7
67.05500	2.3
69.03436	24.0
69.07073	12.3
70.06573	2.2
71.04976	2.0
71.38316	1.4
73.02929	1.0
79.05484	3.2
81.03423	13.7
81.07056	6.1
83.04982	1.9
83.08634	1.1
85.02914	10.3
85.06542	1.1
87.00818	3.4
91.05470	5.1
93.07053	4.8
95.04951	1.7
95.08617	7.7
97.02901	8.4
97.06537	0.8
99.04455	3.8
105.01870	1.2
105.07042	5.9
107.08604	10.7
109.02891	10.8
109.06530	3.0
109.10186	1.2
110.07182	1.1
111.08101	10.7
115.05454	2.0
117.07023	2.0
119.08605	4.2
121.00285	0.8
121.06495	1.8
121.10171	6.6
121.42139	0.8
123.08080	3.9
125.09643	5.0
127.03925	10.9
131.04926	2.1
131.08569	8.1
133.10136	8.2
135.08061	14.7
135.11713	1.9
138.62463	0.8
143.08530	1.8
145.04990	4.0
145.10107	2.1
147.11688	3.9
149.09642	12.3
149.13266	2.0
155.14371	1.1
158.10931	3.9
159.04460	1.3
163.14838	2.8
173.05884	1.2
173.13269	17.7
174.03059	1.1
175.14799	2.1
187.03955	2.8
191.14317	100.0
192.14638	1.7
202.02600	3.6
209.15388	0.8
217.04984	10.3
231.05008	8.0
421.09167	1.6
439.19681	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	14.7
55.01876	7.8
55.05506	10.3
56.73624	2.9
57.03432	6.6
57.07082	5.7
59.08033	3.0
65.03928	3.3
67.05497	15.6
68.99786	8.0
69.03438	28.8
69.07070	11.2
69.28456	13.8
69.28864	8.4
70.06592	6.5
71.01366	3.0
71.04988	11.5
79.05499	18.6
81.03422	65.3
81.03876	6.1
81.07072	24.2
83.04996	10.8
83.08640	3.7
83.70055	2.9
84.08165	3.1
85.02905	36.8
85.06544	11.1
86.09705	6.9
87.00829	11.9
88.11800	2.6
91.05471	20.0
93.07040	29.0
95.04961	9.4
95.08614	26.4
97.02895	81.2
97.06547	6.9
99.04466	19.5
99.08091	6.7
105.07050	18.6
107.04978	9.9
107.08603	62.2
109.02884	65.6
109.06527	8.8
109.10175	19.9
111.04436	8.1
111.08091	10.1
117.06998	7.0
119.08571	16.7
121.06505	14.3
121.10159	33.2
123.04387	3.4
123.08057	16.6
123.11725	3.5
125.09614	4.3
127.02979	5.0
127.03928	100.0
129.07034	3.1
131.08588	16.0
133.06451	4.5
133.10138	43.9
135.08078	19.1
135.11740	5.9
137.09634	21.1
139.11209	3.9
143.08575	6.2
145.10126	8.0
147.08073	3.4
147.11690	12.2
149.09665	23.0
149.13268	20.1
151.07590	4.0
151.11166	20.0
153.09103	6.6
155.14365	3.6
159.08086	5.8
161.09602	6.8
161.13306	6.3
163.11224	4.6
163.14827	12.7
169.10149	3.4
171.11711	4.0
173.09666	9.5
173.13295	24.0
175.11275	3.7
177.09148	3.3
179.14360	5.3
187.14828	4.3
189.09076	3.0
189.12762	6.2
191.12691	5.2
191.14330	69.4
207.13872	4.8
209.15370	48.3
213.03949	27.7
213.12733	3.7
215.14351	5.5
217.12219	3.4
219.13861	4.6
231.05054	5.1
231.13721	3.7
232.09773	3.6
241.12267	4.8
245.15273	4.5
271.16815	3.7
275.16510	3.3
281.15363	3.1
299.16327	13.5
317.17429	11.4
335.18506	3.4
353.19644	3.4
421.18512	9.8
439.20020	15.8
439.26364	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	439.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.9
55.01868	5.2
55.05508	5.8
56.51868	2.2
57.03441	9.5
57.07065	5.3
67.05516	14.1
68.99794	3.1
69.03429	28.9
69.07069	11.8
70.06591	6.7
70.59962	5.1
71.04994	3.7
72.08141	3.6
73.02951	2.2
75.42841	1.7
79.05492	16.0
81.03427	27.8
81.07056	23.1
83.04999	7.0
83.08602	6.1
84.08148	4.4
85.02908	23.1
85.06541	6.4
86.09724	7.7
87.00830	7.4
91.05479	17.3
93.07057	14.5
93.37550	1.9
95.04961	8.5
95.08613	17.9
97.02898	25.7
97.06523	5.9
99.04433	8.6
99.08098	2.3
102.05511	2.3
103.05507	2.5
105.01889	2.5
105.07047	29.0
107.04953	8.9
107.08594	29.2
109.02884	20.8
109.06523	15.9
109.10152	13.0
111.04408	3.0
111.08082	7.8
115.03876	2.4
115.05427	9.9
117.07013	7.5
119.04928	2.7
119.08585	23.5
120.08114	2.8
121.06496	5.9
121.10146	22.6
123.04429	4.8
123.08065	20.0
123.11727	3.1
125.06019	3.5
125.09628	5.5
127.03911	29.9
128.06169	2.3
129.06996	4.1
131.04936	12.2
131.08563	27.0
133.06485	6.0
133.07544	2.4
133.10130	20.5
135.08057	16.9
135.11665	8.2
136.07579	2.4
137.05989	8.2
137.09576	4.0
137.13248	4.4
143.04900	4.2
143.08507	5.9
145.04962	3.7
145.06508	3.3
145.10133	9.1
147.08049	4.6
147.11659	9.9
149.06032	2.7
149.09659	10.6
149.13266	8.1
150.10402	2.6
151.07533	6.2
153.09181	4.0
155.14334	4.2
158.10902	4.0
159.02878	3.2
159.08153	3.6
159.11725	2.7
161.06000	6.2
161.09702	2.6
161.13348	3.2
163.03922	8.1
163.07512	3.0
163.11226	6.2
163.14825	5.6
165.09096	2.1
171.03040	2.1
171.11624	2.9
173.06000	2.6
173.09560	3.6
173.13274	34.0
175.11165	3.9
175.14864	8.7
177.05493	3.2
182.10970	2.2
187.03920	19.4
189.03955	2.9
189.05453	6.2
189.09190	2.4
189.12756	9.1
191.06929	4.8
191.14322	100.0
197.13313	1.9
202.02640	7.9
203.14374	3.2
207.13783	2.1
209.15413	7.4
213.03990	5.1
217.04988	40.0
217.12260	2.7
225.14830	2.9
231.05054	4.1
235.42067	2.0
281.15567	2.4
299.16336	5.0
317.17355	3.7
328.89331	2.2
353.19586	2.4
395.20355	2.4
403.08270	2.2
421.09119	2.8
421.18597	8.4
439.19971	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	439.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.3
55.01869	2.7
55.05506	3.0
57.03434	7.0
61.31038	1.0
65.03940	1.1
65.82903	1.2
67.05504	2.4
68.99805	1.3
69.03432	13.7
69.07066	4.4
69.43508	8.0
70.06593	2.3
71.01336	2.9
71.05000	2.4
73.02915	4.4
75.04459	2.0
79.05502	9.8
81.03413	2.8
81.07040	5.5
83.04998	1.6
84.08126	2.1
85.02901	19.6
86.09685	3.9
87.00833	1.5
91.05481	17.7
93.07041	7.9
94.56622	1.2
95.01328	3.6
95.04968	2.4
95.08601	4.1
97.02898	6.0
99.04453	4.9
103.03945	2.4
103.05472	2.5
105.07034	100.0
107.04955	2.2
107.08604	11.6
109.02887	2.3
109.06538	2.7
109.10192	2.3
110.07160	2.4
111.08076	2.3
113.02366	3.1
115.05534	1.3
116.59759	1.0
117.07035	4.6
119.04945	3.4
119.08583	11.8
120.08125	1.2
121.06497	6.8
121.10117	5.4
123.08055	3.9
125.09561	1.4
127.03935	3.4
127.61414	1.1
128.06239	4.3
129.07063	1.9
131.04953	1.3
131.07042	1.3
131.08598	8.3
133.06497	14.0
133.10133	79.4
135.08034	3.5
135.11731	2.9
137.05989	3.2
137.09637	6.1
141.01857	7.3
142.51697	1.1
143.07059	8.3
143.08559	8.7
145.06468	1.7
145.10159	10.4
146.07230	3.1
147.08051	4.0
147.11716	2.6
149.09630	2.4
149.13275	2.4
151.07542	7.9
155.08560	1.3
159.02945	1.3
159.08060	2.6
159.11734	1.7
161.09619	92.0
162.09956	1.5
163.11177	7.2
169.10126	1.2
171.02789	1.1
171.06705	1.1
171.08078	4.8
173.09630	1.6
173.13263	4.5
174.10223	1.1
175.11218	1.1
177.09082	1.9
179.10670	5.8
185.09511	2.0
187.07574	1.2
187.11220	2.5
189.05345	1.3
189.07408	2.0
189.09108	34.1
189.12691	2.2
191.07048	3.5
191.10657	1.4
191.14351	13.6
204.56534	1.4
205.05058	1.1
207.10176	7.7
209.09619	1.3
213.09096	1.1
215.14209	1.2
217.04930	1.4
229.04958	3.5
235.13304	3.1
241.08766	1.2
253.14383	4.8
259.09659	4.9
263.12793	10.6
277.10703	13.7
281.13809	20.9
291.08673	3.0
319.11819	8.3
337.12607	1.2
347.11203	6.4
361.41586	1.2
365.12408	2.6
411.16608	2.5
421.14920	1.8
439.15787	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	439.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29699	0.9
53.03938	3.0
55.01861	3.6
55.05504	3.0
57.03441	7.6
65.03938	2.1
67.05496	4.1
69.03430	12.6
69.07063	5.1
70.06570	2.9
71.01335	2.9
71.04980	2.3
71.48364	1.3
72.08167	1.3
73.02910	3.8
73.18493	1.0
73.30645	1.0
79.05079	1.1
79.05497	11.8
81.03415	5.2
81.07077	4.9
83.04975	2.5
84.08141	1.2
85.02906	19.5
85.06502	1.6
86.09676	3.1
87.00822	1.6
87.04459	1.1
89.32224	0.9
91.05482	20.2
93.07027	9.1
95.01311	3.1
95.04952	3.8
95.08606	5.5
97.02882	5.0
97.06507	2.2
99.04447	4.5
101.02352	2.3
103.03925	3.5
103.05453	1.2
105.07037	100.0
106.07348	1.3
107.02707	1.0
107.04939	3.3
107.08604	13.7
109.02867	3.1
109.06516	3.2
109.10141	3.5
110.07170	2.5
111.08183	1.3
113.02341	1.9
115.05485	2.4
117.06990	3.3
118.07786	1.1
119.04907	1.6
119.08584	11.8
120.08130	1.4
121.06499	5.7
121.10174	4.9
123.04434	1.2
123.08078	4.4
125.05946	1.3
125.09627	2.6
127.03883	2.6
127.07600	1.1
128.06200	4.2
129.06960	1.9
131.03389	1.6
131.08569	9.8
132.05721	1.4
133.06500	15.4
133.10135	84.5
134.10419	1.2
135.08057	4.4
135.11708	2.5
137.05962	2.1
137.09601	9.8
141.01855	6.3
143.07039	6.5
143.08562	8.7
145.04953	1.2
145.06439	1.9
145.10117	9.3
146.07297	2.5
147.08087	5.2
147.11674	4.3
149.09608	3.1
149.13298	2.3
151.07549	7.3
153.06842	1.1
155.08549	1.5
157.10120	1.8
158.10942	1.2
159.08044	2.3
161.09625	95.4
162.09906	1.9
163.11191	6.4
171.08049	4.7
171.11678	1.4
173.09615	1.6
173.13226	4.0
175.07498	1.3
175.11218	1.3
179.10651	4.9
185.09639	1.2
187.11143	1.2
189.05463	2.0
189.09116	33.1
191.07060	3.0
191.10611	1.4
191.14310	15.2
201.09088	1.5
202.02621	1.4
203.10707	1.2
203.14360	1.3
205.04944	1.7
207.10127	8.7
215.10640	1.4
217.04929	4.0
217.08542	1.3
227.07240	1.1
229.04964	6.3
233.15327	2.3
235.13232	3.8
253.14316	5.1
259.09650	6.5
263.12753	12.2
277.07883	2.0
277.10715	20.8
281.13812	20.4
291.08685	1.8
291.11954	1.5
319.11722	5.9
337.12695	1.7
344.82578	1.1
347.11438	6.0
365.12445	2.2
393.15875	1.2
411.16364	2.9
421.14505	2.1
439.15845	22.0
455.15036	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	9.0
55.05521	14.8
56.84857	5.9
65.29892	6.2
67.05507	24.0
69.03423	29.3
69.07071	15.8
70.06605	45.2
71.04994	9.6
71.48828	6.7
71.49247	11.8
72.08168	14.7
79.05502	18.1
81.03419	26.5
81.07054	34.9
81.45491	6.4
83.04980	15.9
84.08143	29.4
85.02921	35.9
85.06526	15.8
86.09699	31.4
87.00822	6.9
91.05480	42.3
93.07061	23.2
95.04964	12.7
95.08607	21.8
97.02876	17.1
99.04462	7.8
99.96922	7.5
103.05462	6.9
105.01870	9.6
105.07040	81.7
107.04940	8.3
107.08591	30.7
109.02892	16.3
109.06536	8.0
109.10149	14.9
110.07192	15.1
111.04481	7.0
115.05479	10.1
117.07062	12.3
119.08591	31.1
120.08110	14.0
121.10105	14.1
123.08144	12.4
125.09641	25.4
127.03934	11.5
128.06265	10.2
129.07034	11.8
131.04012	9.3
131.04932	60.4
131.08524	14.1
133.06502	9.0
133.10133	56.3
134.03644	8.2
135.04407	7.1
135.08084	15.2
135.11719	16.6
137.06009	14.1
137.09676	9.7
143.08537	9.6
145.06477	14.5
145.10133	20.2
147.04437	41.2
149.13322	9.9
151.07520	8.4
151.11115	7.7
159.04462	16.5
159.11687	10.0
161.02385	14.2
161.05968	22.9
161.09653	63.4
163.03909	17.7
164.04762	13.6
171.04407	10.9
171.11661	9.6
173.02263	7.7
173.06021	8.5
173.13245	12.1
175.11148	8.1
177.05463	15.5
179.10683	7.1
187.03949	18.2
189.05508	25.6
189.09135	24.4
191.03424	27.7
191.07065	8.4
191.10675	11.8
191.14268	16.2
207.07924	6.9
215.08517	19.1
217.04950	33.3
252.87836	8.6
259.09631	32.1
271.07452	15.1
277.10742	21.3
281.13635	7.6
287.04053	8.5
287.07013	25.9
299.06958	9.3
315.06592	64.0
323.09256	18.8
331.06119	8.2
332.06720	8.6
342.05292	13.5
343.06058	42.6
343.09579	6.9
353.15927	6.8
375.08713	87.0
395.16800	50.1
403.08121	34.1
421.09451	7.7
421.15512	8.6
439.15613	100.0
439.20746	6.8
449.71805	8.3
451.26779	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	439.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.0
55.05528	4.7
57.03426	3.3
60.65715	2.0
67.05504	6.3
69.03446	12.7
69.07098	2.8
70.06605	4.3
71.04975	3.1
71.07705	5.7
75.79463	2.3
79.05485	10.7
80.83803	2.1
81.03414	3.0
81.07041	6.2
82.72781	1.7
83.04991	2.3
83.08602	2.7
84.08135	4.3
85.02918	20.0
85.06525	2.8
86.09709	4.5
91.05476	17.8
93.07054	11.5
95.01319	4.4
95.04977	3.9
95.08608	6.9
97.02896	3.9
97.06593	2.3
99.04453	3.5
103.03910	2.1
103.05486	2.0
105.07041	100.0
105.37204	2.1
107.08595	9.5
109.02897	4.2
109.06517	4.6
115.05531	2.2
117.07025	5.9
119.04929	3.2
119.08595	14.6
120.08130	3.3
121.06526	3.1
125.09621	3.1
128.06183	3.0
129.06981	3.3
131.04961	14.3
131.08566	7.2
133.06503	11.5
133.10143	66.3
135.08061	2.8
141.01765	2.9
142.07086	2.2
143.07057	10.2
143.08591	6.5
145.02791	2.2
145.06473	5.6
145.10155	7.6
147.04408	9.5
147.08061	2.4
147.11688	3.4
151.07545	5.7
157.10172	4.3
159.02785	2.3
159.04506	3.1
159.08061	2.7
159.11650	2.5
161.05980	6.8
161.09628	90.4
163.03928	3.1
163.11232	10.4
164.04692	2.4
171.04424	3.9
171.08098	5.3
173.06013	2.7
173.09521	3.1
176.01311	2.1
177.05418	4.2
179.10773	4.7
185.05968	3.4
187.03865	6.6
189.05464	5.1
189.09157	29.1
191.03409	5.6
207.10236	8.2
211.03784	2.4
215.08562	4.2
217.05045	7.7
235.13310	4.7
241.04924	3.5
243.08090	2.7
253.14395	5.1
259.09793	3.4
263.12811	9.1
271.07544	4.6
281.13791	20.7
287.07074	6.8
291.12302	2.4
309.09860	4.3
315.06506	17.1
319.11728	8.6
323.09171	6.4
332.66144	2.1
343.06195	11.7
347.11771	5.3
357.07404	3.4
365.12604	3.0
375.08670	25.8
403.08047	6.4
439.15826	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	438.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59322	1.8
53.03949	2.7
55.01862	6.0
55.05519	12.7
57.03436	4.9
57.07084	10.1
59.04991	2.6
61.02927	6.3
67.05513	4.3
68.99788	3.2
69.03436	19.6
69.07064	7.7
70.06579	5.5
71.00950	3.7
71.04987	3.9
71.08640	11.1
72.08164	4.6
73.02923	3.8
73.06561	41.6
79.05492	4.1
81.03416	13.3
81.07053	19.1
83.08598	11.5
84.08162	2.6
85.02915	35.9
85.06538	9.1
86.09727	2.3
87.00843	16.7
91.05463	4.5
93.07040	4.1
95.08620	23.4
97.02903	15.0
97.10162	9.6
99.04465	7.9
105.01883	11.0
105.06998	3.0
107.08589	4.0
109.02856	10.7
110.07125	2.0
116.52090	2.0
119.08535	3.2
120.08110	3.3
121.10191	2.8
127.03941	20.7
137.13274	45.5
145.04958	8.0
147.04434	2.2
153.71011	2.2
155.14314	100.0
159.02946	3.8
166.27704	2.3
173.15384	57.9
174.27206	2.0
180.33159	2.0
231.04979	2.6
243.11555	2.5
269.12881	2.8
276.23456	2.2
314.12518	2.0
399.61880	2.2
420.19235	2.4
438.20349	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	437.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.8
54.71350	2.1
55.05515	24.5
57.07072	6.3
59.05004	2.0
65.03957	2.7
67.05510	69.4
69.06739	2.4
69.07077	28.6
69.72749	2.3
71.12167	4.2
79.05059	4.1
79.05493	35.9
80.37753	2.1
80.76469	2.3
81.07064	100.0
82.78444	2.2
83.04949	2.9
83.08616	17.5
85.06582	2.9
91.05487	29.6
93.06484	3.8
93.07047	54.8
94.95241	2.0
95.04944	4.2
95.08614	93.8
97.06526	5.8
97.10172	9.3
99.08087	2.4
105.07041	33.5
107.08601	46.0
109.06511	3.1
109.10162	36.2
111.08023	3.3
117.06998	6.4
119.08585	33.0
121.10153	38.8
123.08074	4.0
123.11698	12.1
125.09615	3.9
131.08557	22.3
133.10123	23.5
135.11716	24.5
137.13269	4.6
143.08496	6.7
145.10132	26.6
147.11707	16.8
149.13240	11.3
157.10120	8.7
159.11700	17.2
161.13277	9.8
163.11133	5.1
163.14784	4.0
167.08559	2.4
171.11679	5.3
173.13261	11.8
175.14835	8.1
177.12823	3.0
177.16388	4.5
185.13254	2.9
187.14888	7.5
189.16393	7.7
199.14766	3.6
201.16405	10.6
203.17982	7.6
205.64590	2.2
207.06450	3.1
208.06921	2.1
211.14867	2.9
213.16415	6.1
215.17961	7.2
229.19485	2.5
233.18959	3.1
237.18602	3.5
241.19594	2.7
245.19037	2.7
261.22125	2.4
262.21619	3.8
275.23633	2.6
276.23245	9.1
357.31409	3.5
367.30054	17.6
375.32437	2.4
384.32663	44.3
385.31036	78.3
386.31467	2.5
391.33533	8.3
402.33713	90.4
403.32028	33.3
419.36261	8.9
420.34702	24.6
437.37302	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	437.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	10.3
57.07082	6.0
64.65932	1.2
65.02409	1.2
65.03955	1.2
67.05501	12.7
69.07069	15.2
71.49317	1.6
74.20010	1.2
79.05499	9.3
81.07060	30.7
83.08617	7.0
89.06029	1.5
91.05482	11.7
93.07047	21.3
95.04985	1.7
95.08611	47.0
97.10173	3.8
101.22481	1.3
105.07031	35.7
107.08606	36.4
109.10173	21.3
117.07057	6.9
119.08594	56.3
121.10152	26.7
123.11715	8.9
125.13255	1.2
129.07028	2.7
131.08589	16.4
133.10143	39.4
135.07962	1.4
135.11703	17.7
137.13254	4.9
139.07648	1.5
143.08572	5.9
144.09416	1.7
145.10123	30.5
147.10524	2.3
147.11697	32.3
149.13278	14.1
153.09132	3.5
155.07167	1.2
155.08560	2.6
157.10164	5.5
158.10945	1.7
159.11710	30.9
160.12498	2.3
161.09724	1.4
161.13252	21.8
163.14804	8.1
165.09076	1.6
167.10719	2.9
169.10062	1.8
171.11687	6.4
173.13283	16.4
175.14847	24.3
175.16290	1.7
177.04272	1.4
177.16403	12.5
183.11728	2.1
185.13318	2.4
186.14005	2.0
187.14822	7.5
189.16386	56.9
191.17926	7.2
193.15948	1.4
197.13281	2.4
199.14848	4.9
201.16393	52.1
203.17976	53.5
211.14944	1.5
213.16423	7.3
215.17963	23.3
217.19569	6.4
221.15236	1.8
221.40201	1.2
225.16493	2.7
227.17975	4.6
229.19440	9.3
235.16994	2.9
241.19615	4.8
243.21149	7.0
247.16989	4.2
249.18590	2.4
253.19507	2.3
255.21152	4.1
259.16940	2.3
261.18503	4.2
267.21014	2.0
269.22717	1.5
271.17270	1.7
287.20041	2.4
289.21869	1.4
295.24457	1.6
299.19989	2.9
303.20157	1.5
313.21603	1.6
315.23087	1.3
321.59308	1.3
335.27542	1.9
381.27768	1.5
391.33606	16.9
394.28561	1.7
413.13034	1.3
419.33435	3.6
437.34253	100.0
438.34769	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	437.342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.9
55.05515	9.0
55.05727	1.8
56.55986	1.8
57.07063	6.5
60.45235	1.7
67.05506	15.3
68.12393	1.7
69.07079	15.7
69.21015	17.6
79.05494	10.4
81.07060	32.5
83.08623	7.9
91.05479	15.0
93.07056	24.5
95.04961	2.0
95.08613	55.1
97.10174	2.1
105.07042	34.8
107.08602	37.6
109.10152	24.7
117.07036	6.9
119.08583	61.6
121.10148	36.7
123.08118	2.7
123.11704	15.1
129.07112	1.9
130.07793	2.6
131.08575	17.7
133.10136	43.7
135.11674	23.8
137.13269	5.7
143.08571	8.2
144.09373	2.2
145.10149	30.8
147.11708	39.1
149.13255	16.2
153.09129	3.6
157.10158	8.1
158.10838	2.8
159.11690	34.0
161.09645	1.8
161.13258	18.4
163.14885	7.5
165.09013	3.3
171.11687	9.1
172.12468	2.8
173.13271	14.0
175.14825	29.8
177.16406	16.5
185.13277	3.2
187.14841	10.3
189.16397	63.2
191.17960	10.1
199.14833	6.1
201.16386	51.3
203.17972	64.1
211.14850	2.3
213.16373	11.9
215.17963	26.7
217.19586	6.4
221.15450	4.5
227.18040	4.6
229.19608	7.4
231.21106	2.5
235.16856	3.2
239.26207	2.0
241.19594	5.9
243.21155	5.7
247.17090	6.0
249.18497	2.7
255.21172	4.6
255.61264	2.1
259.16669	2.5
261.18622	5.7
269.22513	2.9
295.72366	2.3
313.21381	2.2
378.95416	2.1
391.33630	17.8
399.12955	2.0
419.33252	3.5
437.34247	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	436.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.4
53.83556	0.7
55.01866	1.2
55.05504	3.0
65.03922	0.9
67.05500	1.4
68.77373	0.6
69.03424	3.3
69.07072	1.6
69.63653	4.5
70.02951	1.3
70.06598	7.7
71.04978	1.4
72.08161	30.0
79.05491	2.8
81.03421	1.3
81.07069	1.8
82.06586	2.0
83.04971	1.3
84.04494	1.2
84.08173	3.5
85.02916	6.5
85.04023	0.8
86.09698	2.6
87.00817	2.0
87.05588	3.6
87.10027	1.0
88.03999	1.8
91.05470	7.3
93.06494	1.1
93.07050	13.2
93.84450	0.7
94.06575	0.8
94.43877	0.7
95.04985	0.9
95.08598	1.6
96.08128	2.4
97.02912	1.5
97.06505	0.9
98.02412	2.8
99.04462	1.3
99.09251	1.8
103.05478	1.1
105.01871	2.7
105.07039	3.6
107.08601	26.2
109.02902	1.8
109.06520	1.3
109.10135	1.2
110.07182	1.7
116.75075	0.8
119.06069	0.7
119.08556	2.6
120.08118	29.4
124.07600	3.1
125.09634	3.8
126.09972	1.6
127.03943	4.6
127.08682	11.0
129.10231	1.4
135.11699	100.0
136.12047	1.4
136.47224	0.7
141.10245	9.9
145.04959	1.2
147.02850	0.7
151.03923	6.3
153.09195	1.0
153.12788	1.2
159.02953	0.9
159.09117	0.8
169.09718	6.9
171.10184	1.3
173.09357	0.8
177.05528	0.8
186.12398	28.5
197.09406	0.7
204.06586	0.9
214.11890	11.6
223.10817	7.3
229.13464	1.2
231.05031	0.8
239.12701	1.0
282.14020	0.8
332.16330	1.0
361.18576	1.2
386.39340	0.7
436.17636	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.5
55.05506	3.3
59.04996	1.8
61.72476	1.1
65.07435	1.0
67.05508	1.7
69.03430	2.3
69.07064	3.2
69.45288	8.8
70.06583	3.7
71.04990	11.3
73.06551	4.0
79.05496	3.1
81.03421	1.8
81.07061	17.9
84.08153	1.7
85.02903	4.6
85.06516	1.2
86.09705	2.5
87.00821	2.2
91.05471	2.8
93.07053	11.7
95.04930	1.8
95.08607	2.9
97.02884	2.2
97.06525	4.5
99.04497	1.1
101.89680	0.9
102.34649	1.0
105.01846	4.0
105.07019	1.8
107.08598	9.5
109.02902	2.5
109.06523	1.5
109.10165	2.3
112.07735	1.0
120.08089	1.3
123.04425	1.5
125.36017	1.1
127.03941	3.9
135.11700	20.0
135.12810	1.5
151.03871	2.4
153.12753	100.0
159.96158	1.3
347.36072	1.1
436.19049	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	436.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09146	0.7
53.03939	2.2
53.39558	0.6
55.01871	1.2
55.05500	1.0
56.36027	0.7
57.03440	0.7
57.07078	77.8
58.07408	0.8
61.02922	1.3
62.30479	0.7
67.05522	1.1
68.99795	1.4
69.03427	9.3
69.07072	2.3
70.06597	2.5
70.16231	2.9
71.04986	1.6
72.08160	1.0
73.02901	0.9
77.65704	0.6
79.05475	1.2
81.03418	8.3
81.07051	2.3
83.04984	1.0
84.08156	0.9
85.02911	18.6
85.06546	100.0
86.06858	0.8
86.09718	2.3
87.00825	8.4
91.05487	1.2
93.07050	1.4
95.08609	0.9
96.36922	0.6
97.02904	8.7
97.06520	2.6
99.04469	3.1
102.09167	0.8
105.01876	8.2
105.07033	1.2
107.08617	1.5
109.02883	12.6
109.06596	0.8
117.01853	0.9
120.08123	0.8
124.07640	0.9
127.03924	24.5
129.01865	2.2
145.04979	5.8
147.02956	0.9
147.41602	0.8
153.12746	37.3
159.02821	3.4
211.09648	1.0
213.04041	2.8
229.10780	2.0
231.04997	7.1
246.55907	0.7
249.06052	0.9
297.26694	0.7
315.10992	1.1
333.11798	5.2
436.18643	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.2
55.01879	6.2
55.05510	10.2
57.03426	8.9
61.02915	4.7
65.79776	3.2
67.05498	10.7
69.03433	31.7
69.07065	6.4
69.77432	19.1
70.06584	8.3
71.05004	11.1
72.08156	3.0
73.02923	9.5
79.05486	7.4
81.03423	18.2
81.07070	20.1
83.04990	6.8
83.08610	20.3
85.02911	69.1
86.09715	6.6
87.00833	34.3
91.05488	6.9
93.07052	41.9
95.04966	3.0
95.08620	26.0
95.88226	3.0
97.02896	35.8
97.06532	19.1
99.04472	10.3
101.09666	10.0
105.01879	31.7
107.08600	59.6
109.02886	16.8
109.10174	26.8
111.08128	4.1
117.01842	4.3
119.08627	4.9
120.08096	6.8
123.11705	18.1
125.09615	5.3
127.03922	42.7
135.11702	100.0
137.09669	3.9
139.07521	4.1
143.09538	3.5
145.04956	21.9
153.01993	3.3
153.12776	50.6
159.02898	14.5
171.13811	83.5
181.37566	2.9
209.11781	4.1
226.77821	3.8
231.05013	10.9
249.06084	3.7
281.63345	3.6
295.11740	8.6
304.05301	5.8
313.12912	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50383	4.6
53.03945	10.3
55.01876	11.8
57.03430	16.6
58.57744	3.2
59.05688	3.9
60.04515	3.7
61.02914	7.8
66.88059	4.6
68.91174	4.0
68.99799	6.0
69.03429	72.2
69.85522	21.1
70.06601	20.2
71.04978	7.0
72.08187	6.3
73.02917	18.1
79.50623	3.9
81.03429	30.3
83.04993	4.4
84.04517	5.4
84.08150	4.6
85.02909	100.0
87.00837	25.0
87.04459	18.7
97.02890	70.0
99.04449	14.2
105.01878	20.9
107.04959	5.3
108.04502	7.6
109.02889	27.5
111.04462	19.8
115.03927	35.3
117.01868	6.6
120.08111	4.9
125.05938	4.0
126.05528	4.5
127.03934	58.6
133.05002	20.6
135.04410	5.4
137.02321	5.7
139.03897	42.7
145.04932	27.4
150.07628	12.3
155.03432	15.1
159.02873	17.0
162.12512	4.2
163.03894	14.3
169.05002	4.1
171.06548	56.8
172.30818	4.0
181.05002	8.0
189.03915	5.2
195.06512	21.8
196.79817	4.5
211.05997	7.9
213.07550	20.8
229.07118	6.4
231.05042	11.9
237.07570	15.6
247.08170	5.9
261.07617	6.4
279.08716	14.0
400.76953	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66532	0.4
55.05512	1.6
57.03436	4.7
57.07076	7.0
60.57361	0.5
67.05510	2.8
69.07072	2.5
69.83952	2.2
71.08630	4.8
76.50964	0.4
81.07058	3.6
83.08627	1.7
85.10190	1.9
89.06010	1.0
93.07040	0.5
95.08602	4.2
97.10194	1.5
105.06993	0.7
105.68226	0.5
108.84360	0.4
109.10146	2.3
111.11712	0.7
113.00023	93.0
123.11691	0.6
127.03970	0.5
133.08675	0.5
137.13251	0.5
139.01581	0.5
169.02618	100.0
191.10504	0.6
267.26651	0.5
307.48642	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.6
54.27534	3.0
54.80549	3.4
55.05505	13.2
57.07079	7.7
58.17932	4.5
61.49062	3.7
63.77797	3.3
64.47674	3.4
64.59467	3.0
67.05507	23.6
69.07082	20.3
69.79993	12.4
69.80401	7.5
70.40749	3.0
75.69774	3.7
75.93672	3.0
79.05498	26.3
81.07057	41.0
83.08620	10.5
86.09701	22.4
91.05476	44.5
91.50198	3.6
93.06506	3.6
93.07054	56.5
95.04974	3.7
95.08616	67.6
97.06492	5.6
97.10177	3.9
105.07044	52.3
107.08597	96.0
108.01563	3.3
109.06509	16.0
109.10156	32.4
113.00008	17.0
117.06998	13.1
119.04959	3.7
119.08585	67.0
121.06543	3.8
121.10149	62.0
123.08060	4.9
123.11716	11.8
128.06174	5.0
128.67198	3.5
129.07001	12.0
131.08586	40.7
133.06471	5.3
133.10106	22.1
135.08060	8.2
135.11717	23.6
137.05960	12.2
137.13281	5.3
141.06895	3.7
142.07765	8.3
143.08559	35.8
145.06480	6.6
145.10132	59.4
147.11699	25.1
149.13257	14.8
151.07460	6.9
155.08617	4.7
156.09383	5.7
157.10123	38.8
158.10788	3.6
159.08087	5.3
159.11684	39.7
161.09689	3.9
161.13203	11.8
163.07559	20.5
163.14813	13.9
167.10709	6.7
169.02637	6.7
169.10168	8.6
170.10965	6.0
171.08131	3.9
171.11681	21.0
173.13277	12.9
175.07631	5.7
175.14888	5.9
177.09102	6.9
177.16386	4.6
183.11694	5.6
185.13293	20.8
187.14844	10.3
189.09129	24.6
189.16389	38.4
191.17940	56.9
195.11766	7.2
197.13173	6.5
199.14838	100.0
201.16391	41.6
203.10783	5.5
203.17920	10.9
207.11882	3.9
209.13228	5.3
211.14742	4.7
213.12740	7.6
217.12358	3.9
217.15837	7.1
223.14873	4.0
227.14265	14.0
231.13826	25.8
233.15356	4.4
243.13806	6.3
245.13113	6.7
245.15407	80.9
245.17950	3.2
266.59131	4.1
290.92548	4.1
293.19037	4.1
376.32092	7.6
435.21915	6.8
435.32761	57.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55053	0.4
52.22598	0.4
55.05519	1.1
57.03448	4.2
57.07081	6.5
65.99117	0.4
67.05507	1.9
67.22260	0.4
69.07069	2.1
71.08638	4.7
71.48949	0.6
79.05510	0.5
81.07069	3.4
83.08626	1.5
85.10212	2.3
88.55795	0.4
89.06052	1.1
93.07050	0.7
95.08624	5.1
95.57928	0.4
97.10181	1.7
106.16013	0.4
107.08633	0.7
109.06543	0.5
109.10207	2.1
111.11757	0.6
111.31051	0.4
113.00031	93.5
119.08602	0.8
121.10208	0.4
123.11702	0.9
133.08585	0.6
137.13304	0.5
139.01569	0.7
147.11717	0.5
154.02614	0.4
169.02631	100.0
170.03003	0.8
197.16626	0.5
239.14622	0.5
312.08752	0.5
435.32513	1.3
456.29510	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.3
60.92532	1.6
64.35023	1.6
67.05491	2.9
69.07050	2.2
70.06583	1.8
70.76904	4.6
75.51355	1.7
77.12947	1.8
79.05488	5.7
81.07044	4.2
91.05491	4.6
93.07056	5.5
95.04939	2.3
95.08627	4.9
97.81783	1.6
105.07037	2.6
107.08594	5.7
109.10179	3.7
112.89489	2.0
119.08589	4.3
121.10139	3.1
135.11659	3.2
143.08522	2.8
157.10184	2.5
159.02658	100.0
159.11758	2.3
282.42487	1.7
299.19888	14.9
317.19485	3.1
435.33072	2.3
435.38745	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	434.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	4.1
57.03423	9.3
61.02928	3.2
69.03418	9.5
69.07043	2.8
70.06268	3.0
70.06599	21.2
70.36413	5.0
70.36817	6.8
72.08144	9.2
74.06104	3.5
81.03417	6.5
81.07099	4.5
84.04494	5.6
84.08131	12.5
85.02905	17.8
86.09713	18.1
91.05462	7.7
93.07037	6.4
95.04949	6.1
97.02875	9.0
99.04422	3.6
103.03941	7.0
103.05483	29.0
105.07050	6.2
110.03717	3.8
110.07150	7.5
116.07115	4.0
119.04930	8.0
120.08101	7.6
121.06509	22.3
123.04425	14.3
124.05159	3.3
124.07575	4.3
127.03931	63.3
127.08606	3.3
128.04239	22.4
129.10214	7.2
131.04926	100.0
135.04427	7.7
136.07574	5.1
137.05991	19.2
137.88591	2.8
138.06792	14.6
142.05463	3.0
145.04980	4.6
147.04485	3.8
148.05182	11.2
148.51814	3.1
151.07495	8.2
159.04373	3.2
163.03885	3.2
163.07553	74.1
166.06238	18.8
179.07010	3.9
181.08578	26.0
187.03862	12.9
187.05447	3.2
188.04182	10.9
229.04950	6.0
230.05354	4.6
237.11267	16.1
255.12305	50.3
399.16116	3.7
434.09293	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.2
55.05508	2.4
56.54577	1.2
57.03435	2.0
67.05469	1.4
69.03427	2.4
70.06599	9.6
71.03138	2.4
71.03481	2.7
71.05001	1.1
72.08167	6.0
80.32542	1.1
81.03426	3.6
81.07060	3.2
83.04987	1.7
84.08122	4.8
85.02895	4.8
86.09685	3.5
87.00833	2.2
91.05490	2.1
92.94233	1.1
93.07043	2.2
95.04980	1.3
95.08590	2.1
97.02895	1.7
105.01888	1.3
107.08572	1.7
108.14027	1.2
109.02863	2.6
109.06434	1.4
109.10176	2.4
119.04916	2.2
119.08564	1.6
120.08098	2.2
121.02869	7.0
125.09624	2.2
127.03904	3.8
127.08707	2.1
130.06519	1.6
131.04892	2.3
139.11203	2.1
145.02838	1.7
149.13205	1.7
155.08163	2.3
157.07671	1.8
158.05977	1.7
158.97375	1.6
159.09177	2.8
165.01878	8.2
167.03346	2.6
167.10678	2.7
167.14340	2.1
183.02824	2.1
185.11520	15.6
187.03867	2.6
213.11015	9.0
229.08513	1.5
234.99077	2.0
256.07397	2.4
263.11023	1.3
263.13885	1.3
267.06586	3.1
270.05304	1.5
271.06049	4.2
273.25916	1.4
281.08124	3.1
283.06018	53.1
284.06754	11.8
295.06155	6.9
295.09070	1.4
297.07657	4.6
305.08047	1.8
309.07578	11.0
313.07034	39.7
321.07419	2.4
323.09100	8.8
329.15793	2.6
333.07571	2.3
337.07120	17.9
343.08203	1.7
343.12286	1.6
347.16751	28.8
349.07114	5.3
351.08655	2.5
361.07025	4.5
367.08127	11.9
379.08191	8.9
389.17822	80.3
397.09241	12.3
405.13437	1.9
415.10239	11.1
433.02350	2.7
433.11398	12.6
433.16812	100.0
434.16846	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	433.1346
Annotation	Tachiogroside B
Peak:m/z	Relative Intensity
53.03942	1.0
56.46594	0.5
65.26414	0.4
69.03428	2.4
69.07047	0.4
70.06579	1.0
71.00119	0.8
71.00494	0.4
71.04984	1.0
72.08159	0.8
73.02927	0.6
81.03418	3.2
83.04999	0.5
84.08159	0.6
85.02906	6.4
86.09721	2.6
93.07063	0.4
97.02901	4.3
99.04463	3.8
103.03953	4.3
109.02878	2.9
110.07198	0.8
115.05527	0.4
127.03925	100.0
128.04248	0.5
129.43646	0.5
131.04945	0.8
143.04910	0.7
145.04987	3.3
145.06131	0.4
145.06378	0.3
163.94695	0.3
167.10672	0.7
175.04027	0.4
181.04921	0.7
183.04216	0.5
185.11725	0.8
187.03941	4.2
187.06088	1.2
215.13953	0.6
229.04958	0.9
244.99924	0.4
308.73706	0.4
403.13763	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.113
Annotation	LMPK12110338
Peak:m/z	Relative Intensity
69.36963	12.3
69.37282	2.8
79.01849	2.9
79.80562	1.4
85.02898	1.8
85.94778	1.4
105.43783	1.5
119.04925	3.5
121.02889	14.8
145.02869	2.6
149.02292	2.9
163.03862	2.7
165.01854	13.5
183.02939	1.7
187.03935	1.7
217.04987	1.8
243.02991	2.6
255.06557	4.8
256.07327	4.5
259.06021	1.9
267.06491	4.8
271.06067	6.6
281.08163	4.4
283.06027	100.0
284.06775	24.5
289.02762	1.6
295.06046	17.8
295.09180	2.6
297.07614	12.2
308.06854	3.6
309.07495	13.5
311.05466	2.8
313.07074	92.5
321.07376	1.9
323.09106	19.8
325.07153	3.0
333.07565	2.2
337.07077	40.6
343.08029	4.6
349.07092	9.9
351.08643	6.1
353.29950	2.0
361.07147	6.2
367.08206	25.4
379.08154	19.6
397.09235	35.6
415.10278	38.8
433.05447	2.9
433.11346	54.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	4.7
63.46756	1.9
67.05495	3.3
69.07015	2.1
69.78529	2.2
70.06559	2.7
71.48250	3.9
81.07048	7.8
83.08612	2.6
84.08120	2.9
86.09679	1.9
91.05469	4.8
93.07055	3.0
95.04985	2.1
95.08612	4.8
97.06532	2.3
100.11241	8.8
105.07026	4.8
107.08618	3.1
109.04027	1.9
109.06507	2.1
109.10141	2.2
115.05474	2.8
119.08538	2.2
121.02843	6.8
121.10191	2.6
123.11687	2.4
128.06262	2.7
129.06918	3.2
135.00775	2.7
135.04431	2.4
135.08173	2.2
141.06963	2.2
145.06512	3.1
145.10072	2.7
147.04446	2.9
149.02332	13.1
157.06531	1.9
161.05963	3.9
163.03931	3.9
164.04703	58.3
171.04440	3.8
171.11668	3.1
174.03159	2.8
176.01039	9.1
177.05402	4.4
184.16962	2.7
186.03119	6.2
187.03825	3.7
191.03410	30.0
194.02100	4.7
199.03911	4.3
201.05450	9.0
202.02776	3.1
202.07758	15.7
203.03395	2.6
210.14891	3.3
215.08656	11.2
217.04964	5.3
217.10091	3.4
218.07347	4.2
226.02573	7.3
229.06606	3.5
229.08568	2.7
230.07306	4.3
235.11197	3.6
241.05031	9.4
242.07347	4.6
243.08029	3.8
245.09679	4.5
246.06834	4.3
253.12338	3.5
254.01988	2.4
255.07967	3.4
258.06808	27.8
259.07510	5.3
269.04498	7.4
270.06732	4.2
271.07666	10.2
272.08340	2.7
273.09128	5.3
274.06369	13.3
283.06000	8.7
285.05359	9.3
286.06201	16.2
287.06873	3.4
295.06030	2.9
297.05411	5.7
298.06314	24.4
299.07068	2.5
300.07974	2.1
301.05017	6.6
301.08661	9.3
302.05759	17.2
303.06509	4.3
313.04306	3.1
313.07114	8.6
314.05713	31.4
315.06525	4.5
317.04633	2.8
317.08020	10.7
319.05978	2.2
329.04346	7.3
329.08078	12.3
330.05215	36.6
331.02191	3.7
331.05814	6.9
332.03186	2.2
337.07108	4.8
341.04343	4.5
342.05109	6.3
343.06036	3.1
345.07623	100.0
346.04550	4.6
346.08224	5.5
347.05469	4.8
357.03860	6.0
358.04712	47.3
359.05316	6.3
361.07104	5.0
372.06213	7.7
373.07086	95.6
374.07422	7.6
375.04651	2.2
377.10278	5.4
387.08627	8.1
401.06970	2.4
405.09717	58.4
433.09045	26.4
433.40225	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	433.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.3
65.53577	1.7
67.05494	2.8
69.07040	2.0
69.28776	1.8
71.48663	2.1
79.05495	2.2
81.07063	4.0
83.08598	2.6
91.05501	2.8
93.07062	2.1
105.07054	2.2
107.08577	2.8
109.10229	1.8
119.08563	2.1
121.02888	4.4
126.08317	1.7
129.06961	2.3
131.08592	2.2
135.04396	2.0
147.04417	3.0
149.02370	12.4
157.06554	2.0
163.03941	4.4
164.04707	53.5
171.04454	5.3
174.02979	2.7
176.01036	9.2
177.05498	5.3
184.40845	1.8
186.03169	2.6
187.03868	2.7
191.03386	27.4
194.02074	3.1
198.03101	5.3
201.05461	7.9
202.02635	2.9
202.07674	13.7
211.04007	2.0
211.73154	2.1
213.05502	5.1
215.08530	5.3
217.04970	7.0
217.10130	2.0
218.07310	4.8
226.02679	6.1
229.04851	4.5
230.02147	2.0
230.07306	4.8
231.07947	2.0
241.04893	9.9
242.07294	5.3
245.09637	4.9
246.06906	3.7
247.07635	2.7
255.07945	2.4
258.06815	28.7
259.07507	4.4
265.36124	1.8
269.04111	9.0
270.06918	3.5
271.07516	7.3
273.09140	4.7
274.06265	11.7
275.07272	3.4
283.05881	9.3
285.05469	6.7
286.06226	17.7
287.06955	5.3
289.08618	2.4
295.93900	2.0
297.05310	2.3
298.06271	23.6
300.07745	2.9
301.04990	5.4
301.08612	10.7
302.05899	15.3
303.06448	6.2
309.07556	2.0
313.04327	2.9
313.07132	8.3
314.05746	27.1
315.06528	6.3
317.04831	2.2
317.07999	10.1
319.05960	2.9
328.07236	2.3
329.04330	7.8
329.08069	11.1
330.05228	31.0
331.05896	8.8
332.03339	2.3
337.07333	2.3
341.04282	3.8
342.05270	6.0
343.05814	2.5
344.06635	2.3
345.07617	91.2
346.04526	2.8
346.08234	6.0
347.05576	3.9
357.03836	5.0
357.07578	2.8
358.04752	42.8
359.05191	4.9
361.03015	2.4
361.07101	6.5
363.08722	4.5
367.08099	3.0
372.06265	6.3
373.07138	100.0
374.07709	8.2
377.10202	6.9
387.08914	10.1
389.10068	2.4
397.08939	2.5
405.09753	62.5
415.08527	5.7
433.09250	28.3
433.31229	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	9.4
57.96067	6.2
66.07489	7.3
67.05500	12.4
69.03417	8.8
69.07072	10.9
71.48649	9.9
72.08161	6.0
79.05505	10.8
80.18170	6.1
81.07056	8.7
82.94232	6.2
93.07027	13.1
94.37847	5.3
95.08623	13.6
100.11237	12.6
105.07031	10.5
107.08613	10.8
109.10192	8.6
111.04497	7.9
119.08518	12.0
121.02885	11.5
121.10165	8.9
133.10083	10.5
141.28514	7.0
147.11685	12.0
149.13361	6.7
150.15488	6.5
165.01857	15.3
174.03188	7.0
174.13902	7.1
180.84117	7.3
202.02583	13.5
210.14925	7.7
211.15158	7.0
217.04974	28.2
234.07805	7.4
277.81229	7.6
283.06012	100.0
284.06711	21.8
295.05884	8.6
297.07608	6.8
309.07526	21.1
313.07098	70.7
323.09180	19.0
325.06833	7.5
333.07358	8.2
337.07117	29.9
349.07776	6.6
361.06656	9.0
366.77618	6.1
367.08087	10.8
372.08176	7.3
379.08182	14.4
397.09210	23.8
415.10147	21.4
433.11121	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	431.256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.8
55.05507	2.7
57.03225	0.5
57.03444	4.9
57.07067	0.5
62.83995	0.5
67.05511	9.4
67.53954	0.5
69.07079	3.2
69.34451	2.5
69.34874	1.9
71.08643	0.7
79.05485	3.6
81.03418	0.8
81.07059	10.9
83.08624	1.8
91.04971	0.5
91.05496	2.2
93.07050	3.1
95.04948	0.6
95.08061	0.9
95.08614	9.0
97.10181	0.5
98.21527	1.0
98.98530	0.5
105.07063	1.6
106.34153	0.5
107.08620	1.9
109.10165	4.7
113.00024	100.0
113.09650	0.7
119.08604	1.2
121.10151	2.6
123.11747	1.7
124.48983	0.5
133.10147	1.5
135.11696	0.9
137.09579	0.5
137.13232	0.9
139.01547	0.8
147.11691	1.1
149.13315	0.9
155.01062	0.9
161.13249	1.1
163.14867	0.7
169.02620	95.4
175.14862	0.9
245.22676	2.7
263.23654	6.7
277.25369	0.5
301.04898	0.5
431.18512	1.8
451.00977	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.0
56.70454	0.5
57.07084	3.6
60.82755	0.5
64.18314	0.5
67.05511	4.3
69.07072	1.1
70.79252	1.5
71.08607	1.3
79.05471	0.8
81.07055	1.6
83.04966	0.6
83.08605	1.1
85.10188	0.9
91.05455	0.7
93.07035	1.8
95.08607	1.5
97.10128	0.8
105.07076	0.6
107.08587	1.2
109.10152	5.3
118.35816	0.5
119.08600	3.9
121.06519	12.5
121.10155	1.1
122.07329	1.4
135.08061	1.4
136.08855	12.6
137.09633	15.5
149.06024	0.7
149.09671	3.7
150.09962	1.2
151.07472	0.7
152.08284	1.1
153.40096	0.5
163.11194	2.4
164.08353	31.8
164.11505	1.8
165.09125	100.0
166.09465	8.5
177.09116	1.8
178.09630	1.2
187.11234	0.8
190.09895	1.3
191.10635	2.8
202.34935	0.6
205.12268	9.4
206.12564	1.3
208.71930	0.6
219.13779	0.7
221.69548	0.5
233.15601	0.6
246.77626	0.5
303.23050	0.6
402.34467	0.9
430.38058	75.6
431.38568	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	430.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	24.9
55.05512	2.7
63.44682	1.5
67.05504	3.9
68.05842	1.3
69.03421	3.2
69.07076	21.3
70.06597	3.6
71.43978	1.3
71.48721	1.9
72.08175	2.0
73.02900	1.6
79.05507	3.0
79.66408	1.3
81.03436	2.8
81.07049	5.3
84.08146	4.1
85.02905	7.7
86.09698	3.4
91.05453	4.3
92.05731	1.5
93.07038	4.4
94.07335	1.9
95.04958	2.6
95.08606	4.3
97.02890	1.9
97.06532	2.0
97.07194	1.5
105.07021	3.9
107.08596	4.3
108.12132	1.4
109.02879	2.3
109.10139	1.9
119.08580	3.4
121.06499	2.5
121.10153	1.7
123.04436	100.0
123.11734	1.3
127.03903	2.6
130.04929	1.9
133.10118	2.2
135.08049	1.6
137.05980	4.7
147.07809	1.6
151.07558	2.0
157.10143	1.9
163.11061	2.0
165.01743	1.9
165.05490	79.6
166.05826	2.0
177.05446	2.0
183.06543	78.6
191.10573	2.3
194.56258	1.4
195.06537	2.3
251.12848	2.7
251.41013	1.3
268.06827	1.8
308.09900	1.4
313.07028	3.1
314.07385	10.9
385.13803	2.3
430.08383	4.8
430.29709	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04531	22.1
64.38150	1.1
65.24141	1.0
69.29531	2.1
69.29936	8.0
70.02956	3.8
70.06577	1.3
77.57070	1.1
84.33852	1.0
91.05487	1.9
92.54805	1.2
106.06570	2.5
107.04955	2.7
118.06557	4.5
119.05011	1.9
119.07326	24.4
122.06044	2.9
130.06575	1.7
131.07358	2.6
134.06009	12.6
135.06805	29.1
143.07272	1.8
146.05994	5.5
147.06783	3.4
150.05534	5.9
158.05998	2.1
159.06805	8.9
163.03893	2.1
174.05530	1.8
191.06638	1.2
207.08099	1.4
209.02803	1.6
210.06746	1.8
225.09116	3.5
235.07538	3.9
237.09158	4.4
239.07060	3.3
240.10220	4.6
241.08614	4.3
250.08575	1.7
252.10204	9.1
254.11836	9.4
256.09726	3.7
264.10202	1.7
265.10992	2.0
266.11682	1.6
267.11356	1.6
269.12863	21.8
270.11240	21.8
276.10089	1.5
278.11795	2.0
280.09708	3.7
281.07962	2.1
282.11203	2.1
293.12875	9.6
294.11288	4.0
295.14395	4.1
298.10757	6.0
310.10736	2.5
311.13904	6.5
315.13406	36.7
321.12445	1.3
322.10837	2.2
339.13495	13.7
349.12000	1.7
357.14447	3.3
367.12875	9.3
384.15768	2.6
385.13937	100.0
386.14185	2.4
395.12305	3.2
402.16476	1.7
412.15134	12.3
413.13455	7.2
430.16125	27.9
431.16376	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33790	0.7
55.01897	0.8
60.04530	18.8
70.02946	3.7
70.74017	0.8
70.74345	1.9
91.05528	1.2
106.06535	1.0
107.04951	3.3
107.74275	0.9
117.05746	1.3
118.04147	1.2
118.06532	3.9
119.04962	1.3
119.07325	21.9
119.08134	1.3
121.39834	0.8
122.06008	4.0
130.06514	2.7
131.04929	1.0
131.07339	2.2
132.05695	0.9
133.02876	1.6
133.05269	1.0
134.06009	13.0
135.06798	24.8
136.07530	0.8
143.07346	1.5
146.05998	4.6
147.04428	1.1
147.06781	1.3
147.09242	0.9
150.05522	6.0
158.06015	1.9
159.06793	8.9
162.05458	1.0
174.05554	2.0
188.33093	0.8
207.08038	2.4
209.09700	1.0
223.07448	1.3
225.09103	1.7
235.07536	2.7
237.09122	3.5
239.07094	2.3
240.10167	3.2
241.08556	5.3
252.10202	9.3
253.08496	1.1
254.11769	7.1
256.09708	2.5
263.07043	1.6
264.10159	1.5
265.11008	1.2
266.11652	1.1
268.09717	1.3
269.08279	1.1
269.12878	21.6
270.11212	19.7
276.10165	1.7
278.11807	2.1
280.09717	4.6
281.08051	2.1
282.11340	3.8
293.12961	6.7
294.11249	4.8
295.14520	1.9
298.10675	4.9
300.12485	0.8
311.13840	6.9
312.12186	1.9
315.13382	34.0
321.12448	2.1
322.10770	1.2
339.13385	10.6
357.14612	2.0
367.12909	7.2
384.15579	2.7
385.13931	100.0
386.14178	2.6
395.12280	3.5
402.16309	1.3
412.15057	12.3
413.13333	5.4
430.16107	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	430.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27705	0.7
60.04232	1.0
60.04530	17.5
70.02952	2.9
70.54457	2.3
76.37921	0.7
77.06803	0.7
78.61980	0.7
94.06626	0.7
106.06573	1.6
107.04992	1.6
117.05750	0.9
118.04168	1.2
118.06500	3.8
119.04961	1.7
119.07330	21.4
120.08122	1.0
122.06028	3.4
130.06543	2.2
131.04916	1.5
131.07317	1.8
133.02893	1.4
133.05205	1.0
134.06021	11.5
135.06799	25.9
143.07280	1.4
146.06004	2.8
147.06845	1.4
147.09158	0.8
147.39955	0.7
149.96773	0.7
150.05534	4.8
158.06094	1.7
159.06808	8.5
160.07608	1.0
174.05496	2.7
207.08073	1.9
215.70723	0.8
220.76920	0.7
221.34108	0.8
222.89874	0.9
225.09149	2.2
235.07617	2.1
237.09109	2.8
239.07066	2.0
240.10136	3.7
241.08624	4.3
251.06958	0.8
252.10214	8.3
253.08655	1.1
254.11766	5.2
256.09805	2.0
264.10339	0.9
265.08398	0.8
265.11121	1.3
266.11780	1.4
269.12866	21.0
270.11249	17.5
276.10260	1.0
278.11652	0.9
280.09680	3.3
281.08145	1.5
281.12805	0.9
282.11356	2.4
293.12891	7.4
294.11282	3.8
295.14294	1.9
298.10709	4.6
310.10934	1.0
311.13956	5.2
312.12216	0.9
315.13397	33.1
321.12375	1.8
322.10751	1.4
339.13373	9.4
350.21515	0.8
357.14633	1.7
367.12933	8.6
384.15509	2.1
385.13962	100.0
386.14218	3.3
394.14102	1.1
395.12570	3.8
402.16611	1.3
412.15002	10.2
413.13351	5.8
430.16122	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3731
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
51.57685	0.4
52.29412	0.4
53.03942	0.6
55.05500	1.6
57.07076	4.7
66.79536	0.4
67.05506	3.6
67.59918	0.4
69.07071	2.5
70.88378	0.7
70.88705	0.7
71.08640	2.8
75.86026	0.4
79.05517	1.0
81.07053	5.5
83.04971	0.4
83.08618	2.0
85.10180	1.1
91.05474	0.7
93.07065	1.1
95.08625	3.6
97.10166	1.1
105.07027	1.1
107.08581	0.8
109.10162	5.0
111.11689	0.6
117.07001	1.1
119.08566	3.6
121.10143	0.9
122.07292	1.8
123.08048	0.9
123.11765	0.8
125.05990	1.5
130.63460	0.4
131.08588	0.9
133.10101	0.7
135.08038	1.0
135.11673	1.0
137.09627	10.8
139.07407	0.4
140.77890	0.4
145.10124	1.4
149.09628	6.6
151.07565	1.7
159.11745	2.3
161.09485	0.5
162.06784	0.9
163.11179	2.7
165.09117	100.0
166.09477	1.4
169.02631	0.7
172.08876	0.9
173.09644	1.6
175.07600	1.2
175.11319	0.4
176.08362	1.5
177.09128	3.8
177.12766	1.4
179.10704	1.2
187.11162	1.7
189.09102	1.1
190.09871	3.3
191.10680	3.7
205.01794	0.4
205.12245	20.7
217.66263	0.5
249.35730	0.5
359.29660	0.5
401.33899	0.7
429.31888	1.2
429.37308	8.4
430.38010	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3732
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05514	3.1
57.07081	17.7
67.05513	5.3
69.07068	5.8
69.46920	0.6
70.97800	1.2
71.08635	12.4
79.05483	1.4
81.06669	0.7
81.07066	8.5
83.04968	1.2
83.08623	3.8
84.53765	0.6
85.10183	6.8
91.05483	2.2
93.07047	4.0
95.08062	0.8
95.08614	8.2
97.10178	1.4
99.11755	0.8
105.07023	2.7
107.08605	7.1
109.10165	6.2
111.11718	1.5
111.87499	0.7
113.60506	0.6
117.07030	1.0
119.08566	4.0
121.10168	4.2
122.07288	1.4
123.11693	1.5
129.07071	0.9
131.08577	2.0
133.06464	0.6
133.10150	2.0
135.08076	6.0
135.11685	2.9
137.05984	1.4
137.09627	9.4
137.13240	1.0
139.07547	2.5
144.09279	0.7
145.10112	2.9
148.93846	0.7
149.09636	14.0
149.13348	0.7
151.07581	1.7
159.08098	1.5
159.11722	3.5
160.08827	0.9
161.09596	1.4
162.06744	1.2
163.11192	19.8
163.12564	1.1
165.09126	100.0
166.09462	2.2
171.11720	0.7
172.08864	0.8
173.09682	2.7
173.13286	2.4
175.11185	6.2
176.08347	2.6
177.09120	12.4
177.12740	2.1
179.10689	1.9
186.10429	1.1
187.11150	2.9
187.14864	0.7
189.09119	1.1
189.12749	2.2
190.09877	1.3
191.10672	10.7
193.12296	1.0
201.12753	3.3
203.10689	2.3
203.14273	1.1
204.11380	0.9
205.12259	10.2
215.14317	1.7
217.15886	0.7
219.13818	5.7
233.15334	2.3
247.16922	1.8
261.18515	1.7
275.20068	1.6
289.21756	1.7
303.23141	1.6
310.85632	0.6
317.24771	1.5
331.26389	0.9
345.27798	1.1
373.31055	1.1
401.34192	2.7
411.36295	2.6
412.04868	0.8
429.37311	39.5
430.37552	2.3
449.22256	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.373
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
53.04864	0.6
55.05508	2.8
57.07079	15.4
63.36546	0.5
64.45978	0.6
67.05505	5.3
69.07076	3.7
70.06629	0.6
70.73054	0.7
70.73376	1.0
71.08638	11.3
72.65608	0.5
78.84364	0.6
79.05473	2.0
81.07066	7.1
83.04954	0.8
83.08616	2.8
85.10186	4.8
91.05492	1.9
93.07064	3.5
95.08604	6.1
97.10162	2.2
105.07027	1.9
107.08600	5.7
109.10182	6.5
111.11694	1.4
117.07031	0.7
119.08599	4.3
121.06505	2.5
121.10164	3.9
122.07284	0.7
123.08060	0.7
123.11676	1.5
131.08582	2.2
133.10147	1.8
135.08083	4.8
135.11722	1.8
136.08833	0.9
137.05960	0.9
137.09624	10.1
139.07545	2.6
142.11078	0.5
144.09270	0.6
145.10144	2.3
149.09625	14.2
149.13274	0.6
151.07568	1.4
159.08086	1.0
159.11749	3.4
160.08835	1.0
161.09544	1.0
162.06752	0.8
163.07581	0.7
163.11183	18.4
164.08365	2.5
165.09119	100.0
166.09468	1.4
172.08865	0.7
173.09616	1.6
173.13264	2.1
175.07587	0.9
175.11160	5.5
176.08337	2.1
177.09117	11.4
177.12852	2.7
179.10599	1.0
186.10435	1.3
187.11186	3.1
187.14862	1.4
189.12744	2.1
190.09938	1.6
191.10681	10.7
201.12759	2.7
203.10695	2.4
203.14386	1.3
204.11421	0.7
205.12256	9.9
205.15672	0.5
215.14339	1.7
219.13824	6.2
233.15337	2.8
243.17424	0.8
243.21162	0.9
247.16945	1.2
261.18628	1.1
275.20090	1.8
289.21603	1.5
303.23215	1.4
317.24704	0.9
331.26511	0.8
345.80380	0.7
373.31247	0.7
401.34189	2.5
411.36115	1.8
429.32297	1.5
429.37296	33.9
430.38010	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	429.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16567	0.6
55.05529	1.9
57.03442	4.8
57.07071	1.2
67.05515	9.8
69.07068	1.9
69.23376	1.5
69.23791	3.9
71.19725	0.5
77.47177	0.5
79.05501	8.8
81.07057	11.2
83.08634	1.9
85.06554	0.8
91.05470	4.0
93.07052	11.7
95.04986	1.3
95.08610	8.6
97.06562	0.7
97.10185	0.8
98.76401	0.6
98.98490	1.0
99.08089	0.7
105.07036	3.5
107.08598	7.4
109.06531	0.6
109.10167	2.8
113.00027	100.0
117.07025	1.0
119.04960	0.6
119.08623	2.9
121.10156	6.2
123.11742	1.7
131.08563	3.8
133.10162	3.0
135.08006	0.6
135.11705	5.0
137.13214	0.9
139.01471	0.7
145.10136	4.3
147.11697	2.1
149.09715	0.9
149.13277	4.0
155.01042	0.7
157.41696	0.6
159.11685	2.8
161.13289	2.0
163.14839	2.8
165.05502	0.7
167.20555	0.6
169.02626	89.7
173.13263	2.6
175.14885	0.9
177.16490	0.8
187.14740	1.6
189.16422	2.2
202.97102	0.6
215.85088	0.5
233.22765	1.5
238.28864	0.7
243.21101	7.2
261.22171	22.3
313.07028	2.1
429.08026	1.1
429.23892	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1758
Annotation	Hyuganoside V
Peak:m/z	Relative Intensity
52.97223	1.2
53.03942	4.9
54.91930	0.9
55.01876	5.8
55.05516	2.2
57.03446	5.2
58.40405	1.0
61.02925	3.5
67.05503	1.4
68.99795	4.2
69.03430	23.7
70.03751	1.0
70.06589	4.2
70.26646	4.1
71.01350	1.1
71.04994	4.0
72.08143	1.9
73.02935	5.0
79.05493	4.3
81.03426	19.7
81.07079	6.6
84.04495	1.2
84.08125	1.8
85.02913	40.7
86.09702	5.0
87.00833	16.8
91.03945	1.7
91.05450	5.3
93.07047	10.1
95.04967	13.1
95.08610	2.1
97.02898	14.3
99.04456	8.5
105.01868	13.3
105.07028	7.7
107.08608	10.4
109.02888	20.0
109.06527	1.4
117.01842	2.5
117.07022	3.2
119.08562	7.0
121.06562	2.5
121.10141	14.0
125.06021	1.3
127.03926	35.4
129.01849	2.7
129.07028	1.4
130.07785	2.8
133.06531	1.4
133.10135	1.5
135.08052	1.7
135.11714	6.2
143.08553	1.5
144.74937	1.0
145.04944	12.2
145.10112	11.2
147.02872	2.7
147.08162	2.4
159.02911	13.1
161.09717	1.5
163.11189	100.0
164.11522	1.5
167.07021	2.0
175.11131	1.8
181.12267	4.5
189.03975	3.3
189.12679	1.4
205.12271	6.8
213.03964	1.8
223.13278	7.9
231.04971	8.2
271.13281	1.3
274.55573	1.2
284.10669	1.0
352.08606	1.2
380.14130	1.0
393.15213	3.8
394.01944	1.5
411.16568	1.5
429.21188	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18215	0.3
53.03912	0.4
53.61458	0.2
55.01840	0.5
55.05471	0.5
57.07053	0.5
58.07396	0.2
67.05486	0.4
69.03387	1.0
69.56613	1.7
70.06559	0.7
71.04974	0.3
72.08131	0.3
73.04739	0.2
75.09614	0.3
79.05454	0.3
81.03432	1.2
81.07019	0.6
84.08131	0.5
85.02906	2.5
86.03206	0.5
86.09724	1.3
87.00832	1.3
89.06039	1.6
90.06350	0.4
93.06999	0.3
97.02853	1.0
99.04407	0.6
101.09605	0.8
102.09940	0.2
104.52037	0.2
105.01828	0.6
105.06983	0.4
107.04939	0.3
107.07053	1.8
107.08547	0.5
108.07381	0.5
109.02831	1.0
110.03181	0.3
119.08558	0.3
127.03957	1.5
128.04237	0.4
133.10150	0.3
137.05949	0.3
145.04951	0.6
145.10081	0.3
158.99446	0.3
159.02875	0.5
163.11140	0.6
163.13304	5.0
164.13637	3.8
165.06998	1.6
177.06889	0.4
181.12196	0.4
183.08005	0.3
193.06467	1.5
195.08047	0.6
197.05934	0.8
205.06529	0.5
211.07495	0.7
218.54823	0.3
221.05959	3.8
225.05377	0.3
237.05521	0.3
239.07089	1.9
249.05481	2.4
250.06294	0.4
251.07060	0.3
253.04999	2.4
257.08072	0.3
266.05811	0.6
267.06528	7.6
268.07227	0.4
269.08151	1.7
277.05023	0.4
283.05951	0.3
285.07523	0.7
295.02878	0.4
295.06027	5.3
296.06552	0.3
313.07047	100.0
314.07413	1.9
429.08188	51.1
430.08508	0.9
450.10278	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.4
55.01869	4.5
55.05510	5.9
57.03427	2.3
57.07074	8.9
59.04985	0.7
59.95980	0.6
61.02913	2.0
68.99767	1.1
69.03432	15.1
70.06571	0.8
70.44201	1.5
70.44574	1.5
70.84904	0.7
71.01357	0.7
71.04984	1.8
73.02901	2.6
73.88872	0.6
81.02986	1.2
81.03421	12.9
83.08609	2.6
85.02909	32.7
86.09708	1.0
87.00829	15.4
89.06036	25.8
91.03956	1.0
92.59309	0.6
94.11569	0.7
95.35888	0.7
97.02895	12.7
97.06490	0.9
99.04455	4.7
101.09659	11.2
105.01875	9.5
107.07077	31.1
109.02883	11.4
111.89635	0.6
117.01849	1.6
127.03928	21.6
129.01808	1.2
145.04968	9.5
145.12225	1.5
147.02837	1.1
159.02896	6.7
163.13300	100.0
164.13556	1.1
189.03870	0.8
213.03954	1.3
217.04979	2.2
222.06821	0.7
231.04994	3.6
235.05971	1.1
249.05557	0.7
267.06610	2.0
295.06088	1.5
313.07080	20.5
313.10730	1.0
429.08276	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	428.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	11.4
57.03462	1.1
61.74941	1.0
67.05498	2.3
69.03436	3.9
69.15926	11.0
70.06590	4.1
71.04999	1.7
72.08170	1.1
79.05470	2.5
79.23476	0.9
81.03426	2.5
81.07070	2.9
84.08163	2.5
85.02908	7.3
86.09711	3.5
91.05498	3.2
93.07037	2.7
93.56155	0.9
95.08619	2.8
97.02895	2.3
97.06518	2.4
98.21475	1.8
105.01892	1.0
105.07040	4.1
107.08588	1.9
109.02885	1.1
119.08598	1.7
120.08141	2.2
121.10152	2.2
123.11715	1.2
127.03924	2.8
131.08600	1.6
133.06508	2.3
133.10136	3.4
135.04500	1.2
135.11655	1.3
143.08495	1.8
146.06049	1.1
147.04456	3.4
147.08058	6.5
147.11734	1.2
159.11687	1.2
161.06036	5.4
161.09674	2.4
162.17039	1.0
163.03944	1.2
163.11194	4.8
171.08072	7.3
173.15346	1.1
177.09120	3.3
189.09120	100.0
190.09520	2.4
203.10745	1.7
213.09138	1.4
231.10181	36.4
233.15504	1.0
249.11252	63.8
250.11378	1.4
259.09732	1.1
267.06805	1.6
313.07031	8.5
429.08273	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91854	0.8
53.03936	0.8
53.52463	0.7
55.05519	8.6
57.07080	6.1
67.05508	6.9
69.07074	30.9
69.47106	1.6
69.47520	3.8
71.08626	3.2
76.92564	0.7
79.05495	2.3
81.07059	10.7
83.04980	0.9
83.08151	1.0
83.08621	12.1
85.10167	1.6
91.05467	1.9
93.07032	4.6
95.08607	9.4
97.10186	7.2
98.20767	1.6
105.07019	2.5
107.08607	5.4
107.76109	0.9
108.75171	0.8
109.10165	6.9
111.11722	3.3
119.08582	4.5
121.06554	0.8
121.10140	3.5
122.07289	1.2
123.08056	1.3
123.11712	2.6
125.13303	0.9
131.08595	2.2
133.10101	0.9
135.08047	3.5
135.11678	1.7
137.09621	11.4
137.13269	1.4
139.07529	1.3
145.10114	2.6
147.11748	1.2
149.09612	10.6
149.13200	1.6
151.07550	2.5
157.10153	0.9
159.11647	1.6
162.06839	0.9
163.07538	1.2
163.11183	5.9
165.09122	100.0
166.09402	1.2
171.11771	0.8
173.13310	1.1
175.07501	1.2
175.11182	2.9
176.08289	1.5
177.09123	6.2
177.12659	1.9
178.30026	0.7
179.10640	2.1
186.10306	0.9
187.11208	1.9
189.09109	3.0
190.09923	1.2
191.10706	6.5
201.12836	1.7
203.10684	8.5
203.14313	1.1
205.12280	11.6
211.14738	0.8
215.14386	0.9
217.12108	1.5
219.13814	2.7
231.13869	2.6
245.15363	1.2
247.17032	0.8
289.21667	1.4
301.21863	0.8
345.27853	1.6
399.32584	1.3
412.33344	1.3
427.15054	1.2
427.20102	1.2
427.30685	1.4
427.35770	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	427.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.0
56.05013	0.3
57.07083	0.9
58.86554	0.3
67.05518	0.6
69.07071	7.4
71.48850	0.3
71.49202	0.3
73.06560	2.1
81.07059	0.5
83.04980	0.5
83.08617	0.3
84.08163	0.6
86.09711	100.0
87.10044	0.6
89.06033	0.3
93.07034	0.4
95.08600	0.7
105.07014	0.3
107.08619	0.6
109.10145	0.5
111.93443	0.3
112.07621	0.9
116.71384	0.3
119.08604	0.4
121.10172	0.5
121.45029	0.3
131.08635	0.4
135.11676	0.3
168.13853	1.2
186.14900	69.6
187.15144	1.3
214.14386	27.0
215.14752	0.6
299.23270	0.4
308.52087	0.4
314.19620	9.7
378.43790	0.3
381.27542	0.3
399.28601	5.1
427.28015	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03970	1.5
55.01875	2.8
55.05511	8.3
56.60218	1.5
59.04993	4.0
60.11988	1.5
63.02067	1.6
64.96946	1.2
68.99766	2.8
69.03424	6.6
69.07092	1.4
70.06595	11.1
71.48622	1.6
72.08147	6.0
74.06089	2.0
75.93581	1.6
81.03436	6.9
84.04483	2.5
84.08134	4.6
85.00702	1.4
85.02903	13.8
86.09706	3.5
87.00829	5.1
87.04467	22.4
87.52888	1.5
89.06042	34.7
97.02895	6.4
99.04427	2.7
100.11256	2.0
105.01852	3.4
107.07076	61.4
109.02879	5.7
119.07037	8.0
119.31871	1.4
123.04452	12.0
127.03929	9.0
133.02879	12.8
135.04457	2.5
136.07550	1.3
138.09148	1.8
139.03931	3.4
145.02866	2.4
145.04953	3.6
150.07793	12.3
151.03941	3.7
155.54655	1.7
159.02939	3.4
160.37370	1.4
161.05983	4.6
161.11760	14.6
163.03923	6.4
169.13405	1.8
173.12970	1.5
177.05504	3.9
179.03400	100.0
179.12791	55.4
180.03757	2.5
221.04378	1.4
229.04961	2.1
229.15912	2.1
247.16928	2.1
257.04379	1.7
259.06021	4.3
288.14240	1.6
289.07101	4.9
295.11444	1.6
337.86044	1.4
409.09232	2.0
427.11737	2.7
427.19754	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	427.1604
Annotation	Tortuoside
Peak:m/z	Relative Intensity
52.79426	0.6
54.01322	0.6
55.01865	1.0
55.05500	1.4
57.03433	0.7
57.07076	1.2
59.05006	4.6
61.02920	0.5
67.05500	1.6
69.03426	2.1
69.07072	0.7
70.06603	3.1
70.73685	1.1
70.74054	1.2
71.05001	1.3
72.08154	1.1
78.18058	0.5
79.05482	1.1
81.03426	0.9
81.07055	0.7
84.04477	0.5
84.08145	1.2
85.02908	6.8
85.06536	1.7
86.09705	2.5
88.85290	0.5
89.99446	0.5
91.05476	4.3
93.07080	0.6
95.04945	0.9
95.08633	0.8
97.02882	1.8
105.06997	0.8
107.04956	6.0
107.08558	0.8
109.02892	1.2
119.04942	7.4
119.08526	0.7
120.08105	1.6
121.02862	0.6
121.06503	0.5
121.10125	0.8
123.04413	0.9
124.07594	0.6
127.03886	1.6
127.11152	0.8
131.04926	0.9
131.08585	0.7
135.04396	1.5
142.73604	0.6
145.04901	0.7
145.38751	0.6
151.03755	0.6
159.04393	0.9
162.03197	0.7
163.03912	100.0
164.04230	1.6
165.01883	1.2
173.06113	0.5
175.03882	0.9
187.03961	3.4
203.07036	1.5
219.08937	0.6
219.23682	0.6
229.08659	1.4
247.09679	10.0
265.10718	90.5
266.11014	2.2
298.04663	1.4
309.14240	0.6
313.07022	5.4
344.32825	0.6
353.10208	1.4
379.07785	1.4
409.09244	2.2
427.10220	2.4
427.15720	0.9
427.18069	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.3
55.01877	0.3
56.28105	0.2
57.04558	0.6
69.03432	1.3
70.06590	2.2
70.45094	0.8
71.04971	0.4
72.08156	0.8
73.02885	0.3
79.05457	0.3
81.03423	1.4
84.08141	0.9
85.02901	1.9
86.09694	0.8
87.00825	0.8
94.04066	1.3
97.02885	0.8
99.04474	0.5
100.11266	0.3
103.03998	0.2
105.01882	0.4
105.03390	0.4
109.02888	1.0
114.05495	0.5
117.03395	0.3
119.03521	0.2
120.08075	0.4
123.04439	2.8
123.06666	0.7
124.04777	0.4
124.07617	0.5
127.03936	1.1
129.10260	0.3
131.72009	0.2
133.02856	1.5
133.05064	0.4
135.04405	0.5
135.05338	0.2
137.71136	0.2
139.03870	0.3
145.02835	0.3
145.04807	0.3
147.02985	0.2
147.04401	0.7
150.07756	100.0
151.03920	0.7
151.08090	0.7
156.82275	0.2
159.02911	0.7
162.05510	0.6
162.09187	0.3
163.03886	0.2
174.09128	0.3
175.03944	0.4
177.05492	0.8
179.03403	24.5
188.10651	0.3
191.03351	1.2
192.04132	0.3
203.03316	1.4
214.08568	0.3
221.04468	3.1
231.04964	0.2
240.10365	0.3
245.04445	0.8
251.14005	0.3
264.12399	0.3
265.12750	1.0
268.09604	0.4
275.05640	0.5
282.11981	0.9
285.12460	0.4
287.05515	0.5
295.11514	19.1
314.10361	0.3
326.14795	0.2
331.12933	0.6
374.12366	0.8
391.15152	0.5
409.09702	0.2
409.15811	0.4
427.10663	0.2
427.19531	5.1
427.26126	0.3
427.27371	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.4
53.03949	1.4
55.01866	0.6
57.03431	0.5
61.02925	0.6
68.99791	0.5
69.03087	0.3
69.03435	3.8
70.06581	0.5
70.92220	0.4
70.92551	0.5
71.04982	0.3
73.02904	0.8
77.03918	0.5
79.05483	0.4
81.03428	4.1
85.02914	6.2
86.03277	0.4
86.09669	0.3
87.00835	3.1
89.03947	0.6
91.10181	0.3
97.02921	2.0
99.04459	1.4
105.01886	1.7
105.03384	0.6
107.04958	0.4
108.55531	0.3
109.02145	0.3
109.02892	4.6
117.01867	0.4
117.03411	0.5
123.04442	10.2
123.05345	0.5
127.03936	6.6
129.01875	0.4
133.02869	8.0
135.04453	1.7
135.12755	0.3
145.04939	1.5
147.02864	0.4
151.03918	4.2
159.02858	2.5
168.28023	0.3
171.71490	0.3
173.39148	0.3
175.03960	0.6
179.03409	100.0
180.03719	1.7
213.03841	0.3
221.04436	0.5
231.04991	0.9
247.09717	0.9
265.10709	0.9
296.34036	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.4
53.03947	1.7
54.33730	0.3
55.01867	1.1
57.03426	0.6
61.02929	0.7
67.05497	0.4
68.32083	0.4
68.99790	0.7
69.03436	4.7
70.06258	0.5
70.06600	5.9
70.16804	0.5
70.17168	1.5
71.04990	0.6
72.08152	2.2
73.02898	0.8
77.03927	0.6
79.05503	0.4
81.03419	4.5
84.08127	0.6
85.02910	7.0
86.03250	0.3
86.06054	1.2
86.09696	0.5
87.00842	3.2
89.03912	0.9
91.86729	0.3
95.04999	0.4
97.02907	2.8
98.21452	0.4
99.04459	1.6
100.11259	1.1
105.01874	1.8
105.03408	0.8
106.48116	0.3
109.02882	5.6
113.65791	0.3
117.01875	0.6
117.03358	0.5
123.04437	12.2
125.07178	0.3
127.03929	6.5
129.01846	0.4
133.01855	0.5
133.02858	10.0
135.04459	2.1
136.07658	0.6
139.03865	1.6
139.77510	0.3
145.04979	1.8
150.07756	1.0
151.03902	4.6
159.02888	3.0
159.78221	0.3
169.13368	1.2
179.03404	100.0
180.03690	1.5
185.09261	0.4
191.03447	1.0
197.12914	1.2
203.03401	0.9
205.05115	0.3
209.79745	0.3
219.73456	0.3
221.04494	0.8
231.04890	0.7
231.13429	1.2
233.04457	0.4
254.15715	0.3
256.22528	0.3
257.04376	0.5
259.05884	0.4
275.05600	0.5
287.05566	1.3
328.18710	1.3
337.27029	0.3
383.77158	0.3
408.25940	0.3
409.09061	0.4
426.26935	0.8
427.19409	0.9
427.25470	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.7
55.05508	19.6
55.70354	3.6
57.07058	14.3
58.81129	3.5
63.73791	4.2
67.05502	27.2
69.07077	23.7
71.05018	4.0
71.08620	4.6
71.48190	3.6
78.90701	3.6
79.05488	19.9
81.07061	64.8
83.08605	12.7
84.34430	3.5
85.06545	4.8
89.06003	6.4
91.05464	16.8
93.07048	46.6
95.08610	100.0
97.10166	9.2
105.07039	34.0
107.08591	68.2
109.09406	4.5
109.10155	68.4
111.11771	4.1
113.00057	19.5
119.08595	47.3
121.10145	52.4
121.32957	3.5
123.08082	3.7
123.11689	25.1
131.08551	6.6
133.10129	30.9
135.11710	33.3
137.13263	12.9
145.10104	17.1
147.11682	33.1
149.13255	35.3
159.11655	12.4
161.13254	26.3
163.14784	28.5
169.02621	17.4
173.13226	8.9
175.14847	17.6
177.16359	15.4
179.14325	12.3
187.14821	12.6
189.16347	17.5
191.17955	46.3
201.16383	7.7
203.18056	27.4
203.19675	6.1
205.19472	14.4
215.17958	8.8
217.19540	34.1
220.56404	4.5
226.91435	4.0
229.19507	7.8
231.21178	5.5
233.18980	7.3
245.22676	5.1
255.13673	3.7
257.22580	7.8
262.34262	3.9
313.27484	6.6
381.72604	3.9
407.37122	17.7
425.21332	10.4
425.28818	8.2
425.38095	39.4
437.87701	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	425.3779
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03952	3.0
55.05509	12.3
57.03443	2.6
57.07083	11.1
65.03931	2.6
67.05505	26.5
69.07072	19.8
71.08633	4.3
79.05499	18.4
81.06593	4.6
81.07059	78.9
83.08659	10.5
85.06523	2.3
85.10183	2.1
89.06040	4.8
91.05495	12.0
93.07055	28.8
95.04996	2.3
95.08612	100.0
95.94955	1.9
97.10190	7.6
105.07029	23.6
107.08601	29.6
109.10162	41.9
111.08023	2.4
111.11725	3.1
113.00012	5.9
117.07034	4.9
119.08604	23.2
121.06525	2.3
121.10143	24.7
123.11712	21.7
127.73400	2.1
129.06956	2.7
131.08540	10.2
133.10147	20.4
135.11710	25.3
137.12206	3.4
137.13255	40.4
143.08533	5.7
145.10100	17.7
147.11714	17.5
149.13322	14.0
151.14807	2.7
157.10178	8.3
159.11687	16.1
161.13286	12.3
163.14832	7.1
169.02583	5.9
169.10162	3.5
170.22884	2.2
171.11754	8.7
173.13289	11.1
174.38057	2.2
175.14821	6.5
177.16380	6.9
185.13301	7.8
187.14839	9.9
189.16373	7.1
191.17952	7.3
199.14783	4.9
201.16393	10.3
203.17941	9.1
205.19481	5.4
212.15709	2.5
213.16376	9.4
215.17963	7.8
217.19539	8.4
219.17384	4.4
227.17914	9.4
229.19554	6.2
231.21115	2.5
233.18832	2.5
245.18997	3.8
247.04117	2.1
255.21060	4.4
257.22607	4.0
283.24475	3.2
333.13287	4.9
365.19510	2.8
407.36899	15.8
425.21286	12.0
425.29587	2.5
425.37964	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.378
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
51.27410	2.7
55.05498	12.1
57.07063	10.4
67.05506	32.6
69.07068	17.2
70.73566	5.9
70.73904	3.0
71.08607	3.8
79.05498	14.9
81.07068	52.2
82.75864	2.6
83.08614	10.3
84.07629	2.5
89.06016	5.0
90.06361	3.5
91.05495	14.9
93.07049	33.0
95.08611	91.1
97.10179	5.8
105.07030	23.4
107.08604	51.3
109.10157	100.0
117.06990	10.8
119.08592	39.8
121.09348	5.5
121.10157	71.8
121.12749	2.4
123.08070	4.4
123.11714	46.2
131.08575	8.1
133.10127	52.3
135.11703	33.1
137.09618	3.1
137.13286	12.8
145.10107	11.0
147.11671	19.1
149.13269	22.5
159.11681	11.6
161.13264	16.7
163.14877	14.3
171.11624	3.6
173.13254	8.0
175.14838	17.0
177.16379	6.5
179.14310	8.0
185.13319	3.4
187.14836	9.0
189.16389	12.6
191.14536	3.3
191.17984	11.8
199.14740	2.8
201.16376	6.5
203.18063	14.2
205.19495	3.3
207.17439	3.3
215.17973	19.6
217.19521	15.1
229.19524	3.3
243.21126	7.6
245.22682	4.7
257.22678	5.6
271.24243	10.9
275.23685	3.1
341.28275	3.8
407.36996	18.9
425.22070	4.5
425.33224	6.0
425.37988	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	425.3781
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05505	7.8
57.07065	9.1
66.53606	4.0
67.05516	21.5
69.07067	23.7
70.66944	12.0
76.37281	4.1
79.05505	9.7
81.07063	60.2
83.08624	8.7
91.05475	6.5
93.07061	19.9
95.08612	100.0
97.10198	7.0
99.08095	12.3
105.07046	8.6
107.08596	28.0
109.10175	38.5
111.08072	6.1
119.08591	25.0
121.10163	23.0
123.11741	22.2
123.28327	4.4
126.31184	4.0
128.11693	4.4
133.10110	13.7
135.11705	22.3
137.13254	43.5
145.10162	7.4
147.11662	14.4
149.13217	19.7
157.10008	4.5
159.11722	9.2
161.13251	8.3
163.14833	11.2
173.13254	5.4
187.14900	5.1
189.16226	5.6
191.18005	19.8
203.18115	6.1
207.17563	4.7
215.17943	6.6
217.19484	9.0
231.21042	4.9
275.23642	4.8
407.36697	13.8
425.21713	9.1
425.33246	5.4
425.37961	40.3
425.45264	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	425.3784
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05517	19.8
57.07072	16.5
62.02348	3.5
67.05513	37.1
69.07071	41.9
70.69604	9.7
71.05000	4.2
71.71629	4.2
79.05502	22.1
81.07065	82.2
83.08630	25.1
85.06538	6.2
85.56556	3.7
89.06009	8.5
91.05488	17.4
93.07054	51.8
95.08618	100.0
97.10155	9.9
105.07038	36.9
107.08600	74.8
109.10170	74.2
109.42390	3.6
111.11712	8.1
119.08598	48.7
121.10168	80.4
123.11707	45.2
127.11221	6.3
131.08559	14.8
133.10153	37.0
135.11708	50.1
137.13258	21.8
145.10132	20.0
147.11691	33.1
149.13284	40.6
151.14819	6.5
157.10114	7.9
159.11746	23.2
161.13269	25.3
163.14844	17.2
171.11661	4.2
173.13266	19.2
175.14865	24.3
177.16441	25.3
187.14812	17.3
189.16451	18.6
191.17960	34.0
193.15921	3.9
199.14816	4.9
201.16441	12.7
203.18005	16.9
205.19438	4.5
213.16536	4.6
215.18050	13.9
217.19553	19.9
229.19534	16.1
231.21133	9.8
257.22653	8.9
271.24402	5.0
283.24161	4.7
285.25763	9.4
377.18555	4.2
403.27527	3.8
407.32251	4.1
407.36859	29.2
410.33197	3.6
425.37924	67.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.378
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
51.14527	1.3
52.77973	1.1
53.57209	1.2
55.05511	7.8
57.07071	3.6
67.05509	13.9
69.07068	19.0
69.35297	10.2
71.08620	1.7
79.05482	6.9
81.07062	36.0
81.65018	1.5
83.08634	6.1
85.06557	1.5
89.46126	1.2
91.05454	6.1
93.07055	20.0
95.04967	1.8
95.08614	60.2
97.06558	2.0
97.10178	4.2
105.07028	11.3
106.24070	1.3
107.08601	31.0
109.10165	44.9
111.08102	2.7
111.11723	5.8
119.08591	19.7
121.10146	31.3
123.11714	17.8
125.76045	1.3
131.08563	3.2
133.10139	13.1
135.11699	27.4
137.13266	16.7
140.08604	1.2
145.10114	7.4
147.11700	12.3
149.13286	11.9
151.14844	2.7
157.10176	1.8
159.11731	6.9
161.13275	15.6
163.14813	10.8
171.11800	1.9
173.13283	5.2
175.14861	8.4
177.16397	7.4
179.14348	2.8
185.13245	2.1
187.14786	6.0
189.16377	9.2
191.17969	19.8
201.16367	6.5
203.17917	10.1
205.19611	8.4
207.08740	1.3
207.17429	3.7
215.17957	9.5
217.19482	9.5
219.21077	2.1
229.19571	4.7
231.21089	2.9
233.19098	2.7
241.19527	1.9
243.21153	3.9
245.22594	8.4
247.20551	13.0
255.21088	2.7
257.22662	4.0
259.24374	2.2
261.22278	5.2
267.57773	1.3
269.22739	2.8
271.24258	4.7
283.24146	1.9
285.25818	3.1
287.23709	2.6
289.25174	1.4
297.25775	1.6
301.25314	2.8
329.28296	1.5
369.77274	1.4
388.60681	1.5
407.36758	17.6
410.29581	1.3
416.52768	1.4
425.37817	100.0
426.38208	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	14.1
57.07068	25.5
67.05493	28.2
69.07075	9.1
71.08621	12.9
71.40128	12.2
73.36817	6.7
74.16490	6.3
79.05487	10.2
81.07063	45.1
83.08622	10.4
85.10180	10.1
89.06034	11.6
91.05476	16.1
92.19835	6.2
92.73769	5.5
93.06994	15.8
95.08605	40.6
97.10176	6.8
105.07021	9.6
107.08588	28.4
109.10172	38.1
113.00020	79.3
117.07041	9.0
119.08584	23.4
121.10155	25.0
123.08098	6.2
123.11698	11.4
131.08531	7.6
133.10155	13.2
135.11685	13.9
137.13260	9.0
145.10120	12.7
147.11722	9.8
149.13263	15.3
155.70595	6.8
157.10051	8.5
159.11736	15.3
161.13266	7.3
165.09129	36.3
169.02640	100.0
177.16370	6.6
191.17986	11.9
217.19632	7.9
263.29037	6.9
313.27350	26.2
377.44681	7.1
397.20456	8.4
425.21811	12.2
425.37970	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	425.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.1
55.05513	8.4
58.06392	0.9
58.06602	9.0
68.99790	1.7
70.06591	9.9
70.72573	2.4
71.04982	2.6
72.08156	27.3
73.06563	9.8
79.05468	1.2
81.03423	1.6
81.07072	1.7
83.06116	2.0
84.04485	3.3
84.08132	7.2
85.02905	1.8
86.09689	3.3
91.05477	2.1
93.07038	1.5
95.04932	1.3
97.06527	2.5
98.06052	3.3
98.09718	1.2
100.11263	81.7
105.07044	2.5
109.02863	1.1
109.06514	1.3
110.07176	12.8
111.08086	1.3
117.07045	2.0
117.13884	2.4
119.08631	1.6
120.08103	5.4
121.06532	1.5
123.04438	3.4
127.03863	1.3
129.06996	1.6
129.10245	2.1
133.06511	3.0
133.10156	2.4
135.04465	1.9
135.08055	1.6
136.07570	1.3
137.06044	1.3
139.03894	2.6
139.07620	1.3
143.08539	2.8
143.11772	1.8
147.04407	3.9
147.07930	2.0
150.05540	1.3
151.03915	22.7
159.07974	1.4
161.05983	4.6
161.09659	5.8
163.03888	1.7
163.07512	2.0
165.05453	1.4
171.04684	1.2
171.08089	2.2
173.05992	2.8
173.09521	1.4
175.03891	1.3
175.07599	1.7
175.11177	1.9
177.05489	1.6
177.09123	5.7
178.05029	3.2
179.03416	12.4
185.09590	1.8
187.07538	1.9
187.11243	2.0
189.05478	1.7
189.09109	3.2
191.07079	1.7
195.08833	2.8
202.12199	1.9
203.10704	2.8
204.10291	2.0
205.08600	9.1
212.10780	1.4
213.09027	2.7
215.07060	2.0
215.10789	1.2
217.08586	7.3
230.11812	2.7
231.10165	4.1
233.11771	2.4
250.10774	10.6
258.11316	3.6
259.09711	3.3
269.86911	1.2
277.10760	1.4
295.16513	20.8
298.88443	1.2
299.05609	1.7
313.26636	1.0
348.17972	3.9
362.19681	1.2
375.22772	1.3
380.20392	1.4
393.23828	36.7
407.07480	2.8
407.25409	59.5
425.09085	3.6
425.26480	100.0
426.26660	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	6.7
55.05502	9.4
56.76532	2.6
57.36862	3.1
60.04527	3.7
67.05508	29.3
69.03419	11.0
69.07066	6.3
70.06593	34.1
71.04995	79.4
71.49231	4.0
72.08156	26.8
79.05498	4.9
81.03441	5.8
81.07062	60.0
84.04488	5.4
84.08146	32.5
85.02916	18.3
85.06541	16.0
85.47263	3.4
86.09718	16.8
87.00831	4.2
91.05479	7.8
95.08589	10.8
95.42049	3.2
97.02893	6.7
99.08069	4.6
100.11259	42.7
105.01898	3.1
105.06995	6.5
107.04976	4.2
107.08595	5.2
109.02899	5.0
110.07159	7.4
112.08727	4.0
119.08485	4.0
120.08093	9.8
121.06526	3.3
123.04430	17.2
123.11678	17.4
124.07590	6.8
125.09641	30.1
127.03890	8.8
129.10237	8.9
131.08549	3.9
133.06493	3.7
133.10077	3.3
135.08041	10.4
136.07591	8.0
141.12749	100.0
145.04924	3.8
147.04431	3.8
157.10086	2.8
159.08029	4.2
159.13802	52.9
160.07542	8.2
161.09627	4.8
163.03970	5.6
171.08072	3.8
174.12854	2.9
177.05461	7.2
177.10327	3.2
177.14883	24.3
179.10716	4.4
186.09131	3.2
187.07458	4.2
187.10905	3.7
203.10654	3.2
207.10138	4.7
227.16385	9.2
231.10152	5.2
239.08849	4.9
245.12898	8.3
245.17467	3.6
249.11066	3.9
262.69321	2.8
263.13846	10.0
264.12329	19.2
287.10168	7.6
339.07666	4.5
341.06842	3.4
347.12296	7.3
380.20563	10.4
407.07639	8.1
407.14322	12.7
425.08566	12.5
425.19250	10.5
425.26471	89.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1962
Annotation	Sanggenol A
Peak:m/z	Relative Intensity
51.06789	1.0
53.03943	1.2
55.01875	1.2
55.05510	3.6
57.07055	1.4
67.01857	1.2
67.05508	5.2
68.99805	1.8
69.07081	5.4
70.07976	2.1
70.08369	2.0
72.08146	1.0
73.37440	1.0
76.25900	1.0
79.05500	7.5
81.07066	15.6
83.08629	1.6
91.05488	5.9
93.03432	1.1
93.07066	7.8
95.01347	1.4
95.04970	2.7
95.08614	15.5
97.10144	1.3
103.05492	2.5
105.07010	2.3
107.04959	9.6
107.08586	1.9
108.05763	1.8
109.10167	2.8
111.04483	1.7
119.04934	2.6
119.08601	2.0
121.02966	1.0
121.06525	7.9
121.10162	1.3
123.04462	2.1
123.11720	8.9
124.54400	0.9
127.03924	4.0
131.08580	2.4
133.06502	2.2
135.04379	1.1
135.11671	1.4
137.13264	5.1
139.03914	4.6
143.08676	1.4
145.06488	1.9
147.04425	5.4
147.08090	2.1
149.02339	10.4
149.05992	10.7
151.03909	2.0
153.01842	72.4
157.06508	2.5
159.08054	2.1
159.11732	1.0
161.09639	1.3
163.07652	1.1
165.01833	1.5
167.03452	3.0
169.06651	1.1
171.08139	2.8
173.09605	2.0
175.03970	2.3
177.01894	1.6
179.03412	1.3
181.06529	1.2
183.08090	1.6
185.09702	2.4
191.03543	1.2
195.02911	42.1
199.07660	2.1
199.11180	1.2
207.02928	2.7
217.14435	1.5
222.54648	1.0
227.07069	8.2
241.15874	6.3
242.05722	1.4
243.17532	1.2
255.06512	14.4
255.09161	1.1
255.10268	1.3
269.08197	1.3
269.11639	1.3
273.07556	1.1
283.06076	9.8
283.09259	1.9
285.07547	2.0
289.07001	1.5
295.06073	1.2
297.11041	1.3
301.07095	100.0
302.07504	1.3
313.07089	1.7
315.08594	5.8
325.10587	1.1
329.10239	3.3
343.11874	3.9
369.13351	3.3
379.19025	6.9
389.17664	1.3
407.18542	17.1
425.19620	38.1
425.25714	1.4
426.19901	1.5
440.71359	1.2
449.81482	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1961
Annotation	Arugosin B
Peak:m/z	Relative Intensity
55.01866	9.8
55.05507	3.9
59.14090	3.1
67.05504	13.8
69.07072	100.0
71.48233	7.6
72.08150	6.7
79.05486	6.5
81.07054	10.1
83.08599	4.9
84.08153	4.6
91.05478	7.4
93.07021	5.1
95.04964	3.5
95.08615	6.7
97.02904	4.1
103.66570	3.1
105.07092	8.3
107.04963	10.4
107.08617	8.9
109.06544	4.4
119.08621	4.9
121.06539	4.5
121.10110	4.9
123.00806	4.0
124.47408	3.5
133.02875	6.9
133.06516	3.8
133.10254	3.8
135.04410	12.2
139.03908	30.1
147.04414	7.2
149.05971	3.6
151.03944	7.4
155.08601	4.3
157.10124	5.3
165.01854	73.6
167.03340	3.6
169.06430	3.5
169.10132	3.8
170.92424	4.3
171.08054	5.6
173.09636	3.8
175.11177	6.1
179.03404	13.5
183.02921	21.9
183.08170	4.7
185.05952	6.1
189.09068	10.0
193.08621	4.1
197.06076	4.6
203.10634	6.8
219.06575	36.5
221.08093	23.5
227.06969	5.8
239.07167	10.1
254.05829	6.2
255.06551	38.8
263.94217	3.8
267.06555	28.6
273.07559	5.0
283.05984	5.4
285.07535	4.4
295.06161	5.8
295.13248	5.1
301.07095	8.7
310.11938	8.2
311.12842	5.8
323.12839	36.9
341.13885	5.6
351.12292	9.3
357.13351	56.1
369.13217	23.1
379.19025	18.4
425.19641	61.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29426	1.4
53.03944	2.9
55.01877	8.3
55.05525	5.7
56.10508	1.1
57.03426	3.9
57.07066	2.0
58.60384	1.0
58.90640	1.1
65.03932	3.0
67.05507	16.8
68.16543	1.1
69.03429	4.2
69.07053	3.9
69.35446	9.6
69.57310	1.2
71.04977	1.8
79.05499	19.3
81.03419	7.6
81.07063	18.7
83.01361	2.4
83.04987	3.6
83.08607	3.0
85.02932	2.0
85.06572	1.3
89.06050	1.5
91.04913	1.2
91.05489	25.9
93.03439	2.5
93.07056	15.1
95.01340	28.0
95.04990	6.6
95.08607	10.4
97.02887	3.7
97.06538	2.3
103.05459	1.9
105.03384	2.3
105.07043	13.6
107.04960	7.0
107.08630	6.4
109.02890	2.9
109.06533	2.9
109.10168	4.2
111.00833	1.3
111.04447	1.9
113.02384	2.4
115.05479	3.1
117.07018	6.7
119.04979	3.0
119.08588	9.6
121.02859	2.1
121.06489	2.7
121.10147	7.3
123.04411	3.7
123.08100	2.2
123.11707	2.8
125.02364	2.0
125.09722	1.2
128.06212	2.3
129.07018	9.6
131.04964	3.3
131.08578	9.4
131.55066	1.2
133.06506	3.8
133.08615	1.4
133.10150	8.6
135.04428	2.7
135.08076	3.0
135.11690	2.9
137.05997	2.4
137.09680	1.5
137.13257	1.3
139.03940	2.2
141.01823	1.2
141.07002	2.7
142.07793	1.7
143.08574	4.3
145.06491	4.9
145.10139	5.8
147.04440	3.4
147.08093	3.7
147.11705	5.8
149.02382	3.4
149.05978	3.1
149.09604	3.0
149.13292	1.6
151.03935	3.9
153.07016	1.8
155.08543	4.3
157.06512	2.9
157.10153	5.3
159.04453	3.0
159.11682	2.2
161.06027	4.0
161.09656	2.2
161.13367	1.4
163.03885	3.5
163.11185	1.4
165.05501	6.1
165.06924	2.2
167.08594	1.8
169.10164	2.8
171.08189	1.3
171.11787	2.6
171.39293	1.4
173.06047	3.5
173.09630	2.3
175.03928	5.6
175.07513	1.3
175.11227	3.1
175.14891	1.3
177.05418	3.2
177.12753	1.7
179.03477	1.7
181.10103	2.0
183.07994	1.6
183.11580	1.9
185.06035	1.2
185.09653	1.6
187.03888	2.3
187.07632	1.2
187.11150	1.4
189.05469	4.1
193.04947	1.6
193.12241	1.3
195.11749	2.0
197.09608	2.5
197.13243	1.5
199.03854	1.6
199.07477	1.5
199.11275	1.9
199.14877	1.5
201.05443	1.5
203.07217	1.2
203.10579	2.0
205.05026	1.6
209.09660	1.3
213.12755	3.4
215.10750	2.6
217.05028	1.5
217.12363	1.4
221.04431	7.7
223.11102	2.5
225.09120	2.9
225.12805	1.4
227.10716	3.2
231.10275	1.5
231.14006	1.7
233.11781	5.1
235.06059	1.9
237.09190	1.5
239.10794	1.3
240.00768	1.2
241.12256	4.4
243.10107	1.5
243.14009	1.2
251.10674	3.1
253.12216	1.8
255.10284	1.3
259.13312	4.2
269.11783	7.6
279.10266	3.1
287.12854	9.5
297.11298	7.4
303.12302	1.8
305.13858	5.4
315.12274	20.7
315.48511	1.2
333.13333	68.5
334.13498	1.2
343.82010	1.4
351.14648	1.6
425.18100	100.0
426.18234	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	425.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.3
56.18943	0.3
56.96563	1.2
57.03438	0.3
58.06606	0.3
61.02919	0.3
67.82594	0.3
69.03436	1.4
70.06590	1.5
71.47619	0.3
72.02130	0.2
72.08143	0.9
72.43623	0.3
80.75130	0.3
81.03391	1.4
84.08134	1.2
85.02911	2.2
86.09724	0.4
87.00838	0.8
89.03923	0.5
91.05489	0.6
97.02914	0.5
98.97589	1.2
100.11237	0.8
105.07076	0.6
107.04927	0.3
109.02876	0.9
110.07174	0.4
110.97581	0.5
115.05455	3.3
117.03359	0.4
117.05750	1.8
120.08083	0.5
123.04520	0.3
127.03951	1.4
128.98599	0.4
129.10196	0.4
130.06534	0.5
131.00198	0.3
131.04910	0.4
132.08092	5.6
133.05269	0.4
133.06502	1.0
135.04407	1.0
136.07576	0.4
142.06535	1.1
143.07314	2.3
145.02856	0.4
145.51581	0.3
146.06052	0.8
147.04401	0.4
148.07564	2.1
159.06757	0.7
159.69792	0.3
160.07585	100.0
161.05917	0.3
161.07957	1.4
163.03911	2.9
165.00793	0.3
172.07565	0.5
174.09149	0.8
177.06729	0.3
177.10236	4.8
184.07584	2.3
190.08687	0.5
202.08635	9.6
213.12267	0.3
219.01788	0.5
226.08618	0.5
233.75761	0.3
237.00694	0.7
237.02870	0.7
244.09885	0.4
245.04971	0.4
255.01878	0.6
256.05914	0.3
267.02969	0.3
286.10818	0.7
304.11847	0.3
309.08499	0.5
312.88843	0.3
339.15308	0.6
364.13922	1.0
372.10855	1.1
390.11734	0.8
407.08054	0.4
407.25552	0.5
408.12851	3.8
425.09824	0.4
425.15433	8.2
425.21042	0.4
425.26224	0.5
426.15869	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1444
Annotation	3,4-Dihydro-1,2-secomicrominutinin-9-O-glucoside
Peak:m/z	Relative Intensity
53.03942	1.2
53.86943	0.9
55.05515	1.6
56.05059	0.9
57.03447	1.6
58.06590	1.1
59.05006	2.6
61.02910	2.6
67.05488	1.7
68.99782	1.0
69.03435	7.4
69.07072	1.4
70.06598	7.0
70.07554	4.2
72.08146	2.0
73.02927	1.6
79.05497	1.4
81.03416	5.5
81.07053	1.4
84.08158	4.4
85.02914	25.4
86.09707	7.3
87.04451	0.9
91.05479	3.4
93.07032	2.2
95.04927	1.2
95.08606	1.7
97.02901	6.3
99.04461	2.0
100.11243	4.6
103.05486	1.1
105.07014	1.8
107.04961	2.2
109.02892	3.6
115.05475	6.1
119.04930	1.8
119.08557	1.2
120.08140	1.6
127.03928	6.4
129.06989	1.1
129.10233	1.9
131.04947	7.6
133.05133	1.0
143.04942	4.9
143.08603	1.3
145.04987	6.9
147.04445	3.6
147.09177	7.2
147.11693	1.3
159.04478	1.7
161.09607	1.3
163.06041	1.2
171.11786	1.1
175.03955	2.6
181.01624	1.0
187.03915	100.0
188.04329	2.0
189.01802	1.4
191.03400	12.9
193.58018	1.0
199.07515	1.5
203.07022	2.9
217.08644	2.2
227.06992	9.9
245.08084	3.1
263.09195	20.0
275.01151	1.1
335.03284	1.0
365.17282	1.5
425.19342	9.6
425.26349	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	425.1444
Annotation	Fortuneanoside E
Peak:m/z	Relative Intensity
51.21984	0.9
51.32946	0.8
55.22827	1.0
57.03431	1.4
61.02911	1.0
61.83088	0.9
69.03423	3.9
69.41113	7.4
70.06612	1.5
76.99351	0.9
85.02914	8.9
87.34325	0.9
91.05488	1.9
97.02881	2.2
99.04459	1.2
109.02856	1.0
131.04939	1.1
147.04417	1.5
147.08089	1.2
147.25885	0.8
159.04417	1.7
175.03928	7.4
176.04684	2.2
185.51378	0.9
187.03963	6.7
187.05473	1.3
189.05544	1.7
203.07018	13.8
217.08630	3.4
227.07022	2.7
233.08081	6.4
245.08102	15.6
246.08582	1.0
263.09167	100.0
264.09515	3.3
425.26260	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1443
Annotation	3,4-Dihydro-1,2-secomicrominutinin-9-O-glucoside
Peak:m/z	Relative Intensity
54.04822	0.5
55.01852	2.3
55.05496	0.9
56.05014	0.6
57.03417	0.9
58.06599	0.6
60.04508	0.8
67.05471	0.7
68.99792	0.8
69.03417	1.9
69.19942	2.3
69.20367	2.6
70.06597	5.1
72.08150	3.9
74.06056	0.5
76.11507	0.5
79.05470	1.2
81.03407	0.9
83.04934	0.6
84.04478	1.0
84.08142	3.6
85.02877	2.0
86.09677	2.2
89.25764	0.5
91.05476	2.1
93.03400	0.5
93.07028	0.7
98.06033	0.5
99.08086	0.8
100.11258	2.8
102.94099	0.5
103.05443	2.0
105.03370	0.6
105.07019	2.0
107.04942	1.4
107.87643	0.5
109.02842	1.6
110.07135	1.5
113.02392	0.5
115.05470	0.7
116.53452	0.5
117.06951	0.9
119.04918	0.8
119.08605	0.6
120.08112	0.9
121.06466	1.3
122.06010	0.5
123.04389	0.8
127.03932	1.4
128.06221	0.9
129.06958	0.6
129.10242	1.2
131.04915	1.1
131.08586	0.5
133.06483	0.9
133.10086	0.7
135.04390	1.3
136.07573	0.8
137.02327	5.2
137.05968	0.8
143.08574	1.2
147.04404	5.2
147.08025	0.8
148.05226	2.5
149.05952	0.5
151.03903	0.8
159.04320	0.5
159.08067	1.0
161.02328	1.1
161.06030	0.7
161.09612	1.8
163.03862	0.8
168.06569	0.4
171.04414	0.6
171.08022	1.3
173.09645	0.7
174.06728	0.7
175.03914	12.6
175.07448	0.7
176.04700	19.6
177.05408	1.2
179.03430	0.7
181.23904	0.5
185.08086	0.6
187.03885	1.8
189.01820	1.5
189.05472	1.9
189.09175	0.9
191.03419	0.8
195.02890	0.6
199.07533	1.2
201.05408	0.9
202.12512	0.5
203.03357	3.5
203.07037	6.7
207.02875	0.6
217.05081	1.8
217.08598	50.8
218.08949	1.2
227.06950	2.4
245.08099	100.0
246.08412	1.7
263.09152	91.6
264.09476	1.9
274.27032	0.5
283.06006	0.6
309.07349	0.7
310.04672	1.7
311.05481	4.1
312.06357	1.1
313.07047	1.2
323.05530	4.8
323.09030	0.9
324.06421	1.1
325.06964	1.1
335.05478	0.6
336.06476	0.8
337.07120	3.1
341.06516	11.5
347.12009	0.6
349.07129	1.0
350.07870	1.0
351.08533	3.4
353.06607	2.5
355.08154	0.6
361.06735	1.1
365.06580	2.1
367.08179	1.0
375.11316	0.6
379.08075	4.3
389.06583	1.5
395.07733	1.2
407.07669	14.3
407.14117	2.0
408.08121	0.8
425.08710	15.1
425.18130	1.0
425.20297	0.7
425.26486	6.4
426.09088	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1445
Annotation	Fortuneanoside E
Peak:m/z	Relative Intensity
53.03928	1.3
55.01891	1.0
55.05526	1.4
57.03440	1.2
69.03438	6.3
69.65180	6.6
70.06582	4.0
72.08158	2.8
73.93456	1.1
74.57411	1.2
81.03416	1.8
85.02910	9.4
86.09718	2.5
89.26777	1.1
91.05492	1.5
97.02885	2.6
100.11259	4.0
109.02901	1.4
109.25658	1.1
127.03873	1.3
129.06989	1.1
131.04968	1.4
145.04999	1.3
147.04416	2.5
151.53583	1.1
159.04402	1.2
159.08038	1.7
160.07690	2.1
161.09561	1.4
175.03922	10.9
175.07544	1.4
176.04694	6.9
177.05382	1.3
178.08650	1.8
187.03918	9.1
189.05479	2.8
199.07574	2.6
203.03458	1.3
203.07001	12.3
205.04919	1.5
217.08623	25.1
227.07120	5.6
233.08099	2.9
245.05481	1.8
245.08109	65.2
263.09164	100.0
264.09491	1.9
425.26544	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	425.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32898	0.5
57.52552	0.6
71.25285	0.8
71.25644	1.1
77.72522	0.6
82.99831	4.0
94.99837	0.9
101.00894	21.9
113.00874	6.3
119.01931	13.8
125.10355	0.7
127.02419	5.0
129.00392	0.8
129.04001	1.2
130.47768	0.7
131.01915	7.0
133.03513	0.7
137.00848	1.0
139.02385	2.1
143.01909	44.0
144.02036	1.6
145.03482	6.4
155.01903	17.2
157.03470	5.0
160.07607	1.7
161.02977	32.8
167.01917	15.6
169.03468	4.3
171.05081	1.5
173.02985	15.0
179.01923	5.9
185.02968	30.2
186.03163	0.6
187.04581	2.3
191.03990	4.1
197.02982	12.5
203.04034	14.7
209.02931	0.9
213.86462	0.7
215.04036	5.7
216.50209	0.7
221.05157	1.8
227.04018	7.2
228.04092	0.7
239.03922	0.9
245.05093	100.0
246.05273	4.0
257.05106	5.7
263.06152	22.1
264.06421	1.2
275.06146	12.8
293.07297	2.8
305.07144	7.5
316.51312	0.8
317.07474	1.0
335.08292	2.5
365.09470	5.2
425.11169	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01016	1.7
53.03931	4.0
55.05317	1.6
55.05514	16.6
55.07488	1.9
57.03434	2.0
57.07080	10.8
67.05180	3.3
67.05505	34.6
69.03438	2.2
69.07076	25.8
71.04993	3.1
79.05492	17.8
81.03411	1.9
81.06586	3.9
81.07059	62.1
83.08613	11.7
85.06538	5.1
87.09768	1.9
89.06039	3.9
91.05485	21.6
93.07048	43.9
95.08612	100.0
96.08968	2.3
97.06510	5.2
97.07150	2.6
97.10162	6.3
99.08092	5.5
105.07033	38.9
107.07881	3.5
107.08600	60.3
109.06509	7.4
109.10159	71.0
111.08099	16.1
112.08717	1.9
117.07024	5.2
119.08583	52.1
121.10153	50.6
123.08073	19.6
123.11710	49.7
125.09625	10.5
127.11138	3.1
129.06949	3.4
131.08601	15.0
133.08623	2.9
133.10147	35.8
135.08051	4.2
135.11697	39.0
137.09616	6.6
137.13228	10.7
138.65694	1.8
143.08551	3.8
144.09349	2.9
145.10139	24.8
147.11684	24.4
149.09619	4.2
149.13264	22.5
151.11241	2.6
151.14879	2.9
157.10091	6.7
159.11713	33.4
161.13258	17.1
163.14821	7.8
171.11687	5.9
173.13266	16.0
175.14809	15.9
177.12791	3.3
177.16414	4.4
179.14293	8.7
185.13240	5.5
187.14822	13.1
189.16389	17.0
191.17961	84.8
197.13330	2.8
199.14841	4.0
201.16328	11.9
203.17941	14.5
205.15886	2.4
205.19574	5.6
213.16376	3.1
215.18001	15.3
217.15907	4.3
217.19534	12.0
219.17422	4.5
227.17986	4.6
229.19412	3.8
231.17470	8.1
233.18996	5.5
243.21030	3.6
255.21111	2.4
257.22711	2.8
271.06046	8.5
285.22342	3.2
331.26389	11.1
350.15076	2.7
393.17282	3.1
405.35220	6.8
423.22263	15.0
423.31024	29.3
423.36197	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	423.3623
Annotation	glochidone
Peak:m/z	Relative Intensity
55.05508	10.2
57.07077	3.3
59.04991	4.7
67.05505	22.1
69.03416	2.1
69.06718	3.1
69.07064	23.5
71.05084	3.4
71.05438	2.4
78.56557	2.1
79.05480	9.3
81.06598	2.7
81.07060	45.8
83.08607	8.4
84.93671	1.9
88.86776	1.8
89.06026	2.1
91.05463	12.5
93.07040	22.8
95.04927	2.4
95.08610	58.5
97.06512	3.5
97.10172	7.3
105.07021	18.3
107.08601	34.5
109.10164	43.8
111.08093	2.8
111.11707	5.7
117.07003	2.8
119.08584	30.2
121.10140	29.1
123.08078	6.1
123.11719	16.7
129.06972	2.3
131.08621	11.2
133.10130	25.9
135.08086	3.5
135.11684	16.7
137.09622	3.7
137.13266	8.2
142.07716	2.9
143.08545	8.0
144.09346	3.4
145.10115	17.8
147.11699	12.2
149.09612	7.4
149.13261	12.9
151.14836	3.5
156.09389	2.9
157.10179	7.6
158.10989	5.0
158.85948	2.2
159.11705	27.9
161.09613	6.6
161.13269	9.2
163.11200	4.1
163.14880	6.5
165.09131	26.2
169.10194	2.6
171.11708	9.4
173.13271	47.6
174.14056	5.7
175.11208	4.7
175.14827	21.2
177.16396	10.6
179.14360	2.1
184.12482	4.2
185.13293	5.5
187.11241	2.5
187.14868	5.1
189.12668	3.5
189.16367	9.4
191.17923	21.2
199.14845	12.8
199.83308	2.3
201.16406	7.6
202.13461	4.3
203.17949	4.1
205.12329	3.2
205.16042	3.8
205.19472	6.1
213.16347	5.3
215.17952	13.3
217.15897	68.3
217.19313	4.8
218.16251	2.8
219.17476	3.4
227.18024	2.4
229.19565	3.0
231.17502	11.7
233.18970	5.2
241.19542	3.1
259.20663	3.4
269.22876	2.3
291.89624	1.9
295.24173	2.4
308.88980	2.4
309.25668	1.9
313.25137	2.5
323.76312	2.4
327.26956	3.9
340.67645	2.2
405.35217	16.6
423.36237	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	423.3623
Annotation	Marsformosanone
Peak:m/z	Relative Intensity
53.03941	2.5
55.05512	18.9
57.07076	7.3
59.05016	1.9
63.66978	1.8
65.03929	2.3
67.05508	24.2
69.07074	44.4
70.64934	2.0
70.65253	4.0
71.04982	2.6
79.05495	17.2
81.07063	50.5
83.08624	11.8
91.05484	15.4
93.07047	40.2
95.04981	2.1
95.08614	79.1
97.06557	4.6
97.10169	7.8
99.08097	11.8
105.07037	37.7
107.08604	63.1
109.06536	5.1
109.10166	55.4
111.08098	3.1
111.11729	7.0
113.09700	2.6
117.07021	5.2
119.08591	49.2
121.10153	62.0
123.08125	3.6
123.11717	25.5
125.09612	2.8
128.06227	2.0
129.06967	3.1
131.08603	12.7
133.10139	59.8
134.10579	1.7
135.08080	4.9
135.11700	33.8
137.09653	3.9
137.13251	11.2
139.11209	3.9
143.08554	6.7
144.09370	2.6
145.10141	26.2
147.11694	37.8
149.09631	3.7
149.13263	18.0
151.14827	5.8
155.08568	2.6
157.10149	11.5
158.10948	2.4
159.11713	42.7
161.09668	2.9
161.13275	24.3
163.11162	1.9
163.14841	11.5
165.12766	2.3
166.39656	1.8
169.10204	2.6
171.11673	10.9
173.13261	31.8
175.11220	3.0
175.14828	28.5
177.12830	2.4
177.16360	15.6
179.14345	3.5
183.11638	4.5
184.12502	3.1
185.13255	10.0
187.14857	14.5
189.16386	28.8
191.17964	67.1
191.72203	1.8
193.15874	5.3
197.13290	4.1
198.68431	1.7
199.14801	11.0
201.16336	14.8
203.14369	2.0
203.17981	28.5
205.15796	2.5
205.19646	5.7
207.17381	3.9
211.14835	1.9
213.16438	7.7
215.17963	18.6
217.15895	28.3
217.19481	25.6
219.17488	13.1
225.16510	4.4
227.17946	5.5
229.19574	6.5
231.17487	7.8
231.21094	3.7
233.19012	12.2
241.19527	4.2
243.21173	2.6
245.19087	5.4
253.19453	4.5
255.21199	10.2
257.22656	3.4
259.20587	6.1
267.21112	5.2
269.22708	11.6
271.24146	2.1
281.22662	4.1
285.22156	12.1
295.24335	5.8
297.25775	4.0
313.25391	5.5
321.25974	2.4
327.27017	2.3
331.26443	2.8
335.26852	2.2
405.35199	51.4
423.31601	4.1
423.36276	100.0
424.36664	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3621
Annotation	glochidone
Peak:m/z	Relative Intensity
54.99536	1.8
55.05505	8.1
57.03450	1.9
57.07076	3.8
59.79196	1.8
63.52879	1.6
67.05500	12.8
69.06738	1.9
69.07072	21.3
70.87080	2.1
70.87396	3.2
75.88152	1.6
79.05464	8.5
81.07058	32.3
83.08628	5.9
91.05482	6.7
93.07062	16.3
95.08612	60.2
97.06541	2.2
97.10168	4.8
105.07038	15.7
107.08601	27.6
109.10162	32.4
111.08101	2.6
111.11739	4.2
117.07050	2.4
119.08592	24.0
121.10149	27.2
123.08076	4.7
123.11720	17.0
125.32691	1.8
131.08580	11.3
133.10149	20.6
135.08070	4.9
135.11700	16.1
137.09595	2.2
137.13261	10.8
142.07816	2.6
143.08589	5.8
144.09326	1.7
145.10129	13.0
147.11674	13.7
149.09636	7.1
149.13249	8.9
157.10146	5.5
158.10902	7.0
159.11690	25.0
161.09607	5.7
161.13240	9.3
163.14841	9.5
169.10156	1.8
171.11723	6.1
173.13278	44.3
174.14027	5.1
175.11221	7.3
175.14853	24.4
177.16397	6.0
179.14330	1.9
184.12547	5.6
185.13306	3.9
187.14894	9.0
189.12764	1.9
189.16431	7.0
191.17937	18.3
193.15910	3.7
199.14862	9.1
201.16348	6.7
202.13611	1.9
203.17973	6.1
205.15877	4.6
205.19530	7.6
211.14839	3.0
213.16405	3.8
215.17941	11.8
217.15887	55.3
217.19527	5.1
218.16254	1.9
219.17361	2.3
227.17882	3.0
229.19572	4.3
231.17398	12.2
233.19020	5.8
239.17873	1.9
245.19029	3.1
259.20743	2.2
267.21194	2.1
295.24139	2.4
301.45645	1.8
307.56201	1.7
327.26721	2.0
405.35205	19.6
423.36240	100.0
424.36493	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	8.0
57.03426	3.0
57.07073	5.6
67.05507	30.6
69.03422	3.0
69.07065	8.9
70.06603	3.7
70.99747	2.4
71.04991	2.4
79.05497	11.3
81.07057	24.3
83.04975	1.7
83.08617	6.9
83.74686	1.7
85.06541	1.8
91.05490	10.3
93.07040	14.6
95.04977	2.2
95.08623	17.7
97.06532	2.4
97.10208	2.0
102.09193	2.4
105.07044	9.6
106.12283	1.6
107.08603	17.9
109.06531	6.2
109.10167	18.1
111.08018	1.8
116.67777	1.8
117.07023	3.9
119.08604	11.1
121.06506	4.4
121.10140	14.8
123.08064	9.8
123.11706	3.7
125.09586	1.9
131.08594	4.7
133.10135	10.6
135.08069	9.7
135.11685	5.8
136.08800	2.1
137.09598	5.3
137.13274	4.3
143.08511	2.1
145.10164	2.7
147.11679	5.2
149.02350	7.6
149.09634	6.4
149.13263	6.6
150.02649	3.1
153.01854	3.2
159.11720	5.3
161.13268	4.3
163.11267	3.1
163.14787	4.3
165.12822	4.3
173.11864	3.2
173.13232	3.3
173.54193	1.9
175.14873	3.1
177.12691	2.6
179.14291	7.3
185.13329	1.7
191.14325	7.5
193.04970	4.4
194.05330	4.1
255.06580	2.5
256.26324	3.0
257.26724	1.9
271.06039	13.7
283.06094	15.1
283.17105	2.2
303.26855	25.5
313.25372	2.6
322.20773	1.8
331.26334	100.0
332.26654	3.7
337.10706	2.7
349.10580	3.5
349.27466	3.6
405.30142	17.0
420.05383	1.9
423.10724	2.4
423.18036	6.9
423.29678	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	423.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.2
54.79102	0.9
55.01870	1.8
55.05513	7.7
57.03436	2.6
57.07081	3.2
57.77568	1.0
65.22499	0.9
67.05512	9.7
69.07082	11.3
69.47659	7.2
71.04977	2.3
71.08630	2.2
79.05503	5.5
81.07066	13.7
82.48085	1.0
83.04976	1.3
83.08627	4.7
85.06547	1.6
91.05470	4.8
93.07047	9.6
95.04984	0.9
95.08618	13.5
97.06522	1.7
97.10148	1.1
99.08129	0.9
105.07011	6.1
107.08602	10.0
109.06525	12.4
109.10164	4.2
111.08095	2.8
119.08627	6.9
121.06506	1.5
121.10149	5.4
121.77442	0.9
122.07285	1.1
123.08076	57.7
123.11736	1.6
124.40564	1.0
131.08565	2.3
133.10127	5.0
135.08047	10.9
135.11703	3.4
137.09659	2.8
145.10143	2.4
147.11697	4.1
149.09691	4.4
149.13268	2.8
151.11273	1.2
159.11671	5.0
161.13258	1.9
163.11238	1.2
167.14287	1.1
173.13260	1.8
175.14835	1.4
177.12799	4.6
179.14316	30.2
191.14288	1.3
193.15860	1.5
205.16002	1.0
235.13954	0.9
263.20166	2.2
275.20087	5.7
289.25394	2.2
293.67273	1.0
303.26804	5.8
313.25412	1.3
331.22369	2.2
331.26346	40.8
367.24939	3.5
373.65479	1.1
423.31079	100.0
424.31357	3.5
424.36572	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.4
55.01873	1.5
55.05518	7.1
57.03429	2.7
57.07079	5.7
67.05506	14.7
69.03421	1.8
69.06728	1.1
69.07075	9.8
69.13309	7.2
71.04997	2.0
71.08632	5.5
73.02920	1.1
79.05493	12.2
81.03426	1.1
81.07058	19.5
83.04977	2.0
83.08636	4.7
85.06551	2.7
91.05487	8.5
93.07050	13.5
95.04972	1.7
95.08613	18.8
97.02896	10.1
97.06538	2.3
97.10165	1.7
99.04475	4.5
99.08102	2.1
105.07034	9.0
107.08593	11.3
109.02907	1.0
109.06525	19.2
109.10167	8.7
111.08105	1.0
117.07019	1.7
119.08588	8.2
121.06490	1.1
121.10143	8.8
122.07301	1.7
123.08076	39.1
123.11722	2.8
125.09646	1.5
127.03922	2.5
131.08589	3.2
133.10133	5.7
135.08063	8.7
135.11664	4.2
137.09616	1.9
137.13297	1.2
145.04999	1.5
145.10083	3.8
147.11743	4.2
149.09627	1.6
149.13290	2.3
151.14799	1.1
157.10159	1.6
157.12271	0.7
159.11716	2.7
161.09605	0.8
161.13310	1.8
163.14853	1.1
165.12790	1.2
167.14301	1.4
171.11685	1.0
173.13303	2.5
175.11098	0.9
175.14896	1.4
177.12755	1.9
179.14322	79.8
183.51949	0.7
187.14789	1.4
191.14220	1.3
193.15915	2.6
202.16922	0.7
205.15916	3.1
209.83005	0.6
219.17624	0.8
223.68073	0.9
233.19025	1.7
247.20580	0.8
253.19456	1.4
261.22220	2.6
263.20120	0.9
275.20148	3.0
289.25189	0.8
293.21301	1.2
303.26978	2.5
331.26331	37.1
332.26614	1.2
347.82928	0.8
349.27353	9.8
405.30188	1.6
423.14227	2.9
423.31097	100.0
424.31238	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.9
53.43594	2.2
55.01856	6.3
55.05315	2.3
55.05511	25.9
57.03425	5.7
57.07056	6.7
59.04993	3.6
61.01133	4.5
63.34395	2.4
65.03919	4.3
65.74304	2.2
67.05506	97.8
69.03435	13.1
69.07072	28.5
70.06618	3.0
71.04988	6.4
71.48685	3.3
72.04501	3.0
78.03762	2.8
79.05489	39.7
81.03400	9.6
81.07057	66.0
83.04966	8.0
83.08632	14.4
85.02891	7.1
85.06542	7.1
91.05492	35.3
93.07050	54.4
95.04961	7.2
95.08605	38.3
97.02890	6.3
97.06532	8.3
97.10209	3.0
100.11218	2.8
102.03755	6.3
105.07027	28.2
107.04955	3.5
107.08596	38.4
109.06529	5.7
109.10162	46.8
111.04406	3.4
111.08118	5.7
113.06041	2.7
114.03561	2.5
117.07021	7.6
119.07822	2.8
119.08598	32.4
121.06491	6.4
121.10130	22.7
123.08057	10.7
123.11707	9.4
128.06238	2.4
129.05489	2.6
129.07016	6.1
131.08582	18.2
132.04811	3.5
133.10149	28.8
135.08078	13.9
135.11711	15.6
137.09647	3.3
139.11153	2.5
143.08554	5.8
144.47963	2.9
145.10129	11.6
147.08070	3.0
147.11707	12.6
149.07463	6.3
149.09631	8.3
149.13283	16.2
153.01814	3.2
157.10121	6.6
159.11703	16.1
161.09671	3.0
161.13211	9.3
163.11205	3.9
163.14830	8.9
171.11658	4.0
173.11749	8.8
173.13199	6.5
175.14778	8.1
177.12787	5.8
179.14279	6.8
181.09991	2.6
183.11746	3.6
187.14746	3.9
191.14255	7.0
195.13780	6.7
199.14734	3.0
203.17958	3.9
205.15715	4.1
206.05661	3.8
213.12633	2.8
259.20633	4.3
261.22137	8.0
271.05994	23.2
272.25620	2.5
275.20032	6.3
283.06097	4.3
301.21738	4.1
303.26724	13.7
324.48242	3.0
331.22388	5.8
331.26315	100.0
369.24146	7.8
387.25186	5.7
405.16989	4.1
405.25613	4.5
405.30090	10.6
423.10934	5.9
423.18140	5.2
423.27121	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	423.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64385	1.2
51.02377	1.3
53.03949	8.4
55.01878	8.6
55.05279	2.0
55.05517	31.7
57.03440	10.3
57.07070	4.2
59.05003	2.0
65.03938	4.2
67.05509	95.1
68.99816	1.4
69.03434	34.5
69.07072	30.0
69.80188	6.3
71.01353	3.0
71.04997	9.4
73.02919	4.1
77.03866	1.2
79.05498	82.3
81.03423	39.8
81.07062	100.0
83.04987	12.5
83.08630	16.0
83.31040	1.2
85.02907	16.5
85.06535	4.8
87.04472	2.6
91.05487	69.5
92.42674	1.4
93.07047	98.0
93.69533	1.1
95.04985	15.4
95.08613	83.5
95.50504	1.3
97.02904	14.8
97.06542	10.9
97.10177	6.4
99.04452	10.8
99.08095	2.4
101.02385	1.3
103.03923	5.2
103.05473	2.0
105.04514	2.6
105.07035	62.6
107.04974	8.1
107.08601	53.8
109.02870	4.8
109.06544	10.0
109.10162	37.4
111.04440	10.1
111.08106	6.5
115.03889	1.4
115.05448	2.7
116.06219	2.2
117.07029	28.1
119.08588	50.9
121.06513	7.4
121.10150	45.0
123.04442	2.7
123.08067	9.2
123.11724	11.9
124.45995	1.3
125.06013	1.5
125.09657	6.0
127.03918	6.1
128.06264	3.8
129.05513	6.5
129.07008	13.3
130.07791	1.6
131.04948	1.4
131.08575	38.5
133.06494	5.3
133.10146	40.3
135.08029	6.5
135.11696	33.1
137.09613	4.8
137.13280	4.1
139.11166	2.4
141.07008	4.4
142.07765	4.5
143.08563	15.1
145.06471	2.8
145.10132	32.4
147.04361	1.6
147.08076	6.7
147.11688	31.8
149.09610	4.9
149.13287	20.5
151.07545	3.6
151.11238	3.4
155.08527	8.6
157.06516	2.1
157.10156	14.7
159.08061	4.6
159.10466	2.3
159.11711	31.0
161.09612	4.2
161.13269	20.2
163.11185	5.0
163.14845	6.8
165.09123	1.8
165.12741	2.6
167.08551	3.3
169.10158	7.5
171.08066	2.6
171.11687	12.4
173.09631	3.4
173.13274	19.9
175.11197	5.0
175.14819	9.1
177.09161	1.5
177.12776	4.6
177.16483	2.2
179.08565	1.8
179.10741	1.4
179.14293	4.7
181.10135	3.1
183.07991	2.3
183.11743	7.7
185.09612	3.2
185.13271	9.5
187.11200	4.1
187.14804	11.2
189.12744	2.7
189.16396	3.7
191.14310	3.1
193.10132	1.8
195.11627	3.3
195.13770	2.0
197.09637	1.5
197.13289	4.7
199.14822	6.8
201.12737	2.7
201.16399	5.8
203.14417	3.2
203.17958	3.0
205.12402	1.6
207.13879	1.8
209.13287	3.0
211.14822	2.3
213.16489	3.4
215.14357	2.4
219.17509	1.5
221.15198	2.0
223.14871	1.8
225.12807	2.1
227.14328	1.6
229.15962	1.4
229.19666	1.5
231.17546	1.7
233.15321	1.7
233.19128	1.7
235.13252	2.5
241.19516	5.6
243.21046	4.7
247.16936	1.3
249.14864	5.1
255.21045	2.3
257.22479	1.3
259.20584	19.1
261.22159	29.8
267.20718	1.6
271.06046	4.4
271.20764	3.1
273.22141	5.5
275.23676	3.3
277.21713	7.0
279.23251	2.0
283.06134	1.8
285.22144	3.8
287.20184	1.7
289.21600	8.4
291.23138	4.5
297.22116	1.8
301.21622	5.8
303.23166	15.3
309.22089	1.7
315.23181	4.5
319.22583	3.2
321.24292	1.8
327.23145	5.1
331.22772	1.6
333.22482	2.0
341.24677	6.7
345.24292	6.9
351.23096	7.8
359.25677	2.4
369.24261	22.9
387.25302	19.6
405.26364	24.4
423.27136	20.1
423.36392	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	10.8
53.28008	6.0
55.01874	16.5
55.05508	34.0
57.03426	9.6
58.03946	5.9
67.05510	84.5
69.03427	26.7
69.07067	23.2
70.65117	8.3
70.65461	13.1
71.01376	6.1
71.05000	6.8
73.20087	6.3
79.05494	90.8
81.03419	23.4
81.07062	98.6
83.04964	7.9
83.08626	9.8
85.02898	6.6
88.05518	5.5
91.05481	55.1
93.07055	100.0
95.04985	9.0
95.08618	89.5
97.02906	83.5
97.06525	9.1
97.10168	8.5
99.04456	25.9
101.02391	5.9
105.07034	41.8
107.08589	56.9
109.02855	16.3
109.06520	7.7
109.10172	36.5
113.79430	6.1
117.07032	21.5
119.08605	30.9
121.10164	44.6
123.08067	13.4
123.11706	12.6
127.03944	41.8
131.08604	31.2
133.10152	41.3
135.08110	7.0
135.11710	32.5
143.08574	9.0
145.10129	29.7
147.11685	28.8
149.13263	16.3
159.11713	15.3
161.13237	14.6
171.11798	8.5
173.09648	8.3
173.13297	26.7
175.14815	8.2
179.14351	22.1
187.14902	9.8
191.10876	6.0
210.72667	5.6
243.21129	13.6
261.22159	43.9
295.06094	8.1
331.26151	11.5
367.11792	58.7
418.55472	7.6
423.31085	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	423.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	19.3
53.36375	4.8
55.01859	8.5
55.05523	30.9
57.07058	5.4
60.52112	4.7
67.05508	90.5
69.03434	27.1
69.07069	19.8
70.73827	6.6
70.74161	9.0
71.01379	6.2
71.04989	14.8
73.02898	7.0
79.05070	8.1
79.05501	94.5
81.03419	33.5
81.07066	95.5
83.08611	11.0
85.02888	7.6
91.05486	50.9
93.07053	100.0
95.04967	7.2
95.08617	75.8
97.02898	91.0
97.06520	6.4
97.10167	9.6
99.04472	29.9
105.07029	36.6
107.08607	49.7
109.02876	18.9
109.10168	32.7
109.82334	4.9
111.08094	5.9
112.47097	4.9
117.07021	19.5
119.08600	37.8
121.10159	52.2
123.08117	7.6
123.11722	13.3
127.03941	35.5
129.07018	5.1
131.08592	28.4
133.10138	32.9
135.11711	29.2
137.13264	5.2
145.04973	6.3
145.10150	25.7
147.11700	21.7
149.13277	16.0
159.11710	20.4
161.13263	18.4
163.14749	11.0
171.11717	4.7
173.13312	15.5
175.14832	7.6
179.14413	6.2
185.13319	6.2
187.14790	7.7
215.19742	4.2
231.98871	4.7
243.21127	17.4
259.20648	5.2
261.22195	39.7
334.90027	4.2
357.24075	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	423.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.2
55.01869	6.8
55.05514	17.8
57.03430	6.5
57.07061	3.4
65.03941	4.5
67.05511	65.6
69.03439	11.7
69.07081	28.0
69.16393	17.1
69.16797	7.5
71.05009	13.3
73.02910	7.4
79.05500	60.8
79.05967	2.7
81.03433	12.3
81.07064	65.8
83.04971	3.3
83.08631	9.1
85.02920	6.0
85.06568	2.6
86.53017	2.6
91.05491	37.0
93.07053	67.1
95.04980	5.7
95.08619	64.9
95.09077	1.5
97.02903	100.0
97.03536	5.1
97.06535	4.1
97.10171	3.1
98.20811	5.5
99.04459	45.1
105.07040	22.0
107.08591	37.6
109.02873	13.4
109.06506	2.7
109.10162	24.5
111.08095	2.8
117.07030	8.4
119.08585	22.8
121.10160	40.7
123.08075	3.9
123.11714	10.7
125.09606	3.5
127.03928	33.2
131.08617	14.2
133.10144	14.7
135.11702	23.8
145.04941	18.0
145.10095	13.0
147.11693	12.0
149.13261	15.6
151.11188	2.4
157.10162	3.0
159.11700	12.6
161.13287	8.3
163.14742	2.7
173.13297	7.7
175.14748	3.3
179.14334	3.3
187.14816	5.1
243.21204	6.2
259.20712	4.4
261.22110	26.7
269.17841	2.6
279.22952	2.8
283.06039	9.4
295.05984	5.8
322.08621	2.9
331.26263	3.3
334.08496	4.6
337.10910	13.8
349.10693	12.4
351.12180	2.8
355.11758	4.9
367.11731	4.8
405.16968	31.4
423.18173	13.9
423.31085	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	423.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	2.9
53.03951	11.9
55.01860	10.2
55.05512	31.6
57.03442	13.3
57.07063	7.6
65.03918	3.4
67.05509	87.1
69.03433	47.5
69.07075	29.7
69.13201	9.2
69.13626	17.6
71.04984	11.1
71.08620	3.7
73.02901	7.1
79.05498	67.4
81.03425	46.1
81.06596	5.1
81.07062	100.0
83.04977	13.3
83.08651	12.6
85.02916	28.6
85.06545	4.2
91.05488	55.5
93.07048	78.8
93.07637	3.9
95.04974	20.1
95.08614	76.0
97.02901	42.9
97.06528	12.2
97.10172	8.7
99.04456	11.3
99.08077	3.7
101.77513	2.2
103.03930	7.0
103.05408	2.9
103.09977	2.7
105.04495	3.6
105.07040	53.7
105.70712	2.2
107.04955	7.1
107.08599	48.3
109.02880	8.3
109.06521	13.4
109.10162	37.0
111.04410	8.3
111.08068	3.5
111.11677	2.3
117.07034	22.2
119.08591	46.9
121.06508	9.4
121.09338	3.0
121.10149	33.7
123.04417	3.1
123.08072	8.6
123.09734	2.4
123.11752	14.0
125.05950	3.5
125.09602	4.7
127.03934	5.4
128.06236	2.7
129.05461	3.9
129.07016	13.8
131.08574	33.9
133.06496	4.9
133.10147	31.6
135.08031	6.0
135.11694	29.7
137.09637	6.8
137.13264	4.5
139.11157	2.4
141.06958	3.8
143.08609	13.1
145.04951	6.1
145.06444	3.6
145.10130	31.7
147.08034	3.7
147.11690	28.0
149.09599	6.6
149.13280	17.7
151.11191	3.4
153.09116	3.5
155.08524	8.4
156.99031	2.6
157.06458	3.3
157.10127	12.5
159.08099	3.0
159.11707	29.9
161.09596	7.0
161.13242	15.5
163.14798	5.9
165.12785	2.6
169.10106	7.2
171.08093	2.8
171.11725	12.5
173.09601	4.3
173.13223	19.3
175.11183	4.4
175.14845	5.6
177.09056	3.5
179.14278	3.6
181.10097	2.9
183.11690	4.4
185.13268	7.0
187.11058	3.0
187.14844	9.7
189.12744	5.2
191.14383	4.1
197.13197	3.6
199.11188	4.3
199.14789	6.0
201.12761	5.7
201.16353	3.9
205.15828	3.1
209.13397	2.7
211.14851	2.4
213.16353	3.3
215.14391	4.2
219.17548	3.0
221.13293	2.8
241.19513	5.2
243.21117	5.1
259.20554	15.7
261.22125	24.8
273.22168	3.8
275.20099	2.7
275.23743	5.2
277.21600	8.1
279.23285	4.2
285.18979	2.4
285.21881	4.9
289.21548	5.1
291.23181	6.6
301.21658	6.6
303.23193	22.9
315.23288	6.2
319.22543	3.1
327.23184	5.2
341.24908	4.9
345.24091	8.3
351.23090	6.8
357.24231	3.0
369.24258	23.5
387.25211	19.7
405.26334	29.6
423.27274	19.4
423.36310	2.8
423.86728	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	423.249
Annotation	PM-94128
Peak:m/z	Relative Intensity
51.35864	0.6
53.03931	0.8
55.05521	3.6
56.05030	1.5
58.06600	3.4
60.04515	0.8
67.05496	3.8
69.03422	2.1
69.07057	2.1
70.06597	20.7
71.04993	2.1
71.49007	1.2
72.08159	17.5
79.05494	3.5
81.03404	2.8
81.07066	3.6
83.04967	0.9
84.04518	1.3
84.08156	4.7
85.02892	1.8
85.06535	2.5
85.08458	0.8
86.09702	8.7
91.05467	4.1
93.07072	3.4
95.04945	1.9
95.08594	1.8
97.02882	3.3
97.06553	1.4
97.50062	0.7
98.06064	1.1
99.04460	1.1
99.08073	0.9
100.11261	43.5
103.04015	0.8
103.05479	0.9
105.01935	0.7
105.07023	4.2
107.04961	1.3
107.08602	3.5
109.02860	2.4
109.06492	1.4
109.10159	1.9
111.04438	1.0
117.07034	1.5
117.13886	2.3
119.08580	3.0
120.08121	10.7
121.06489	1.1
121.10152	2.2
123.08061	1.1
123.11700	1.1
125.05955	0.8
125.09641	1.1
127.03903	3.2
128.06255	0.8
129.07036	1.2
129.10254	1.9
131.04921	2.5
131.08556	1.6
133.06483	1.8
133.10118	2.3
135.08133	0.7
135.11725	3.3
136.07530	1.0
137.09668	1.4
139.85352	0.6
141.06940	0.7
141.58426	0.7
143.08562	1.1
143.11807	2.7
145.10115	1.8
147.08018	1.7
147.11638	1.5
148.11197	1.0
149.06026	1.1
149.09642	1.0
149.11620	0.7
151.03900	0.9
151.07515	0.9
155.08485	1.0
157.10120	1.2
158.05986	3.2
159.04424	5.4
159.08073	1.1
159.11708	1.2
161.05962	2.1
161.09679	1.7
163.07591	3.4
167.07039	2.4
167.08426	0.7
171.08131	1.5
171.11389	0.8
171.13808	0.9
171.26653	0.7
173.09601	1.4
175.07594	0.8
175.11205	0.8
175.14845	0.9
176.07104	3.2
177.05455	6.0
185.09683	0.9
187.07533	0.9
188.07092	1.0
189.03365	0.8
191.07025	1.9
191.10707	0.9
194.08151	4.1
201.09207	2.1
203.06935	1.6
203.10715	1.7
206.08167	2.9
213.04068	1.1
213.09152	3.4
219.06483	0.9
230.11807	4.3
231.10083	1.0
232.13339	0.9
248.12848	8.3
253.11949	2.2
261.07480	1.4
262.14404	11.2
275.17709	0.7
290.15057	0.8
307.20166	40.2
308.20551	1.9
334.20029	1.0
361.25208	0.9
363.22818	1.3
378.19177	2.2
379.26047	2.2
405.19080	0.9
423.24905	100.0
424.25018	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.0
55.01878	3.3
55.05518	2.3
57.03435	2.6
62.52910	1.1
67.05503	3.8
68.99818	2.0
69.03136	1.4
69.03443	13.4
69.07079	9.5
69.07401	1.7
70.79562	2.3
70.79895	1.6
71.05007	1.4
72.49229	1.3
73.02908	1.5
79.05508	5.0
81.03411	5.5
81.07055	5.2
83.04993	2.4
83.08633	3.1
85.02916	13.0
85.06557	2.6
87.00860	10.8
87.66151	1.3
91.05492	10.0
93.07071	8.2
95.04980	1.5
95.08604	12.7
97.02891	9.8
97.06557	1.3
99.04466	2.6
103.05496	1.4
105.01866	3.3
105.07037	15.4
107.08596	13.3
109.02904	3.3
109.06519	1.6
109.10196	6.3
111.04478	1.7
111.08101	1.7
113.02408	2.0
115.03960	4.2
117.07035	2.9
119.08598	56.8
121.06570	2.1
121.10158	17.1
123.08078	1.9
125.02370	1.5
127.03931	6.4
129.01855	1.6
129.07011	2.3
131.08603	8.2
133.06543	1.4
133.10143	60.3
134.10880	3.6
134.93092	1.2
135.08080	2.7
135.11707	5.3
143.08537	3.2
144.09357	1.7
145.10144	14.0
147.11711	20.9
149.13258	1.4
156.09378	2.5
157.10153	4.5
158.10948	2.6
159.02966	2.1
159.11713	5.0
160.12466	2.7
161.13330	9.3
171.11699	3.6
173.09695	1.7
173.13295	18.4
175.14850	100.0
176.15184	1.8
177.16417	13.7
185.09720	1.2
185.13278	3.6
187.14839	9.7
189.09340	1.5
197.13506	1.5
199.14850	3.1
201.03973	2.4
203.14320	1.5
205.15854	10.1
211.11194	1.4
215.14407	2.0
217.15891	2.9
227.14243	1.7
229.15866	1.4
231.05069	2.1
237.16388	1.5
241.16006	1.5
250.30685	1.2
259.16846	1.2
265.15866	1.3
271.06039	4.0
277.17993	2.5
283.16937	6.2
301.18057	5.6
319.18991	1.5
349.13083	1.4
370.86481	1.4
387.17953	4.2
405.19122	7.0
423.20145	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.5
56.05055	0.5
58.06608	0.4
69.03453	0.4
69.07069	0.4
70.06602	4.4
70.34163	1.4
72.08152	2.0
74.06077	0.7
81.03406	0.4
83.06113	0.6
84.04520	2.4
84.08154	3.0
85.02915	0.9
86.09714	1.7
88.03979	0.4
97.02885	0.4
101.07133	1.1
102.05553	0.5
104.05237	0.4
110.07168	0.5
115.08691	0.5
115.69676	0.4
120.08100	2.8
123.04435	0.7
129.10252	1.7
130.06528	0.5
136.07599	1.4
141.10190	0.6
147.04440	0.4
149.05963	0.4
163.03995	0.7
166.08612	0.8
172.04387	0.4
175.03973	0.9
217.08221	0.5
226.18492	0.4
239.15588	0.4
247.04221	0.5
261.13129	12.6
276.13574	0.6
345.10184	0.4
360.14670	0.4
423.18399	100.0
424.18695	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	423.1806
Annotation	Vogelin H
Peak:m/z	Relative Intensity
55.01865	2.3
55.05505	2.5
57.07068	1.0
65.31983	0.8
67.05513	4.9
68.99791	1.7
69.03416	0.9
69.07063	3.5
69.18394	2.5
69.18806	5.5
70.06569	0.8
79.05492	3.4
81.07060	7.4
83.01350	1.0
83.08619	1.9
91.05487	3.5
93.07044	4.2
95.08632	5.0
97.02895	1.6
105.07053	3.7
107.08614	4.6
107.09254	0.6
109.06496	2.1
109.10160	4.5
119.08577	2.3
121.02892	0.8
121.10128	2.5
123.08105	3.7
123.11691	1.2
128.06160	0.9
129.07034	1.2
131.04926	1.7
131.08578	1.9
133.10146	2.3
135.08028	1.2
135.11681	2.3
137.02335	1.2
137.09627	1.3
141.01863	4.1
145.06505	0.9
145.10164	1.4
149.09560	0.9
149.13242	1.2
151.03879	0.9
157.06488	1.1
157.10172	1.4
159.11696	1.4
163.03960	1.8
165.01837	17.0
165.03101	1.3
167.03410	3.4
168.05818	0.9
169.06499	1.0
171.08032	1.7
171.11736	0.8
173.13298	1.1
179.14339	8.4
183.02924	6.5
183.08075	4.2
185.09576	3.3
185.13275	0.9
191.03398	1.9
193.04907	1.0
197.05913	0.8
197.13252	1.1
207.08034	1.8
211.07565	1.6
218.07251	0.9
221.09753	1.3
221.13087	0.8
225.09158	0.9
229.10095	0.8
232.08871	1.8
233.09601	1.6
234.10440	1.0
235.07448	2.1
247.11235	1.6
253.19481	1.4
260.08102	0.8
261.09097	2.5
261.22079	1.6
271.05917	3.8
275.10687	2.4
278.09415	1.0
279.10239	1.4
287.07059	1.3
289.08612	2.4
293.11707	1.9
295.05975	4.9
296.06787	3.2
303.10150	11.2
306.08826	0.9
307.05975	2.9
307.09421	1.7
313.08435	2.0
316.07272	3.1
321.11060	1.7
331.09680	21.2
331.26410	4.3
333.07513	2.4
334.08267	2.2
347.09521	0.9
349.10727	100.0
350.11005	2.8
367.11786	30.3
405.17029	6.6
406.33017	1.0
423.10922	1.5
423.17993	8.0
423.31406	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	423.1804
Annotation	Sanggenon I
Peak:m/z	Relative Intensity
51.95870	0.9
53.03929	1.0
55.05514	1.9
57.07069	2.3
61.00256	0.9
67.05511	9.5
68.23725	1.1
68.99790	1.3
69.07069	2.5
70.06582	3.8
70.91363	0.9
71.04991	2.0
71.48412	1.4
72.67174	0.8
79.05496	2.8
81.07063	7.4
83.08604	1.1
83.64232	1.0
88.07617	3.0
91.05473	2.9
93.07046	3.7
95.08606	3.7
102.09180	2.3
103.05463	2.3
103.09541	1.0
107.08593	2.8
109.10175	7.3
121.10144	1.7
123.11723	1.3
127.44885	1.0
131.04933	3.6
131.08623	1.5
133.10143	1.3
135.11674	1.2
149.02362	15.3
149.03488	1.5
149.13167	1.0
150.02699	5.0
153.01845	11.9
153.12766	4.0
171.04424	2.3
193.04979	13.0
194.05295	8.3
199.07564	6.4
219.06572	1.1
227.07062	3.5
237.05534	1.6
255.06573	26.0
255.09248	1.4
256.26379	2.7
257.26764	7.1
271.06000	10.3
283.06033	100.0
284.06342	1.6
297.07690	1.0
309.07776	1.4
321.07455	1.5
337.10828	5.6
349.10724	1.6
353.13803	3.4
405.17056	4.3
423.10992	2.5
423.17978	23.0
423.23581	1.7
423.29251	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	423.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	2.0
57.03413	1.3
58.99593	7.8
61.01151	0.7
61.02934	1.0
67.05508	7.9
69.03432	4.7
69.07070	15.3
69.43245	5.7
70.06596	4.5
76.02213	3.1
81.03419	2.2
84.04506	1.9
84.08151	6.0
85.02913	9.4
86.09702	1.9
88.04003	0.9
91.64819	0.9
95.04967	2.6
97.02882	5.5
98.21516	1.6
98.97598	2.7
99.02659	2.3
101.04246	50.1
108.16298	0.9
109.02849	1.8
110.06065	1.0
110.07179	1.7
112.07627	3.5
115.55161	0.7
120.08102	2.3
122.02698	1.2
123.04510	1.0
127.02156	5.7
127.03911	1.8
127.05768	2.4
128.10709	0.9
128.98563	1.0
129.03699	2.2
129.10229	3.2
135.04468	0.9
136.07581	1.9
138.05513	1.4
140.07068	8.7
145.04921	1.3
155.01625	1.7
163.03896	2.9
170.06342	2.8
172.04283	100.0
172.95357	0.8
173.04636	1.0
180.04874	1.2
182.08153	3.0
197.07430	2.3
198.05867	5.7
208.67935	0.7
214.05304	10.1
215.08559	5.9
219.01791	1.0
238.05356	1.0
244.06447	8.5
254.61203	0.8
261.09048	15.8
274.90353	0.8
286.07458	1.4
289.11273	0.8
303.10114	2.6
307.06882	1.5
334.09662	1.5
339.09943	0.8
342.10046	1.6
342.92654	0.8
360.11505	1.6
377.13788	9.0
423.14316	59.9
424.14615	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	423.1439
Annotation	Asperlicin E
Peak:m/z	Relative Intensity
51.94591	0.4
52.81288	0.4
53.03948	0.8
55.01860	0.8
56.05017	0.7
56.96549	1.4
57.03422	1.2
58.99340	0.6
58.99586	6.5
61.02906	0.9
66.60971	0.5
67.05501	6.5
69.03420	4.6
69.07069	18.0
69.71240	0.5
70.06576	2.1
70.17728	1.3
70.18121	1.2
72.08144	0.6
72.29464	0.5
73.02921	0.6
76.02216	2.2
77.73475	0.5
81.03444	2.4
84.04498	1.4
84.08146	5.2
85.02908	8.9
86.09690	1.5
87.04447	0.6
88.03986	0.8
89.03923	1.0
93.07035	0.7
95.04956	2.3
97.02888	4.6
98.97583	2.6
99.02678	2.3
101.00879	0.7
101.04246	43.4
102.03752	0.7
103.03923	0.7
109.02848	1.7
110.06055	0.9
110.07197	0.8
110.97520	0.7
112.07594	2.9
116.98603	0.9
117.03357	0.9
120.08089	2.2
122.02702	0.7
126.05489	0.6
127.02132	5.4
127.03902	2.3
127.05810	2.7
128.10724	0.9
128.98576	0.7
129.03714	2.2
129.10243	2.2
130.08649	1.6
135.04411	0.8
136.07588	1.2
138.05498	0.7
140.07065	9.1
143.00166	0.5
143.01894	1.6
145.01656	1.7
145.02710	0.6
145.04974	1.2
148.06059	0.6
155.01680	1.5
158.99651	1.3
161.03027	0.8
163.02689	1.2
163.03903	4.2
164.04243	0.5
168.03381	0.7
168.04759	0.6
170.06386	3.2
172.04277	100.0
173.03024	0.6
173.04556	0.5
175.08754	0.6
180.04794	1.4
182.08136	3.9
185.06604	0.6
197.07462	2.0
198.05859	6.5
205.03809	0.8
206.08116	0.6
214.05334	9.2
214.07233	0.8
215.08496	5.6
219.01845	1.2
221.05125	0.7
226.18327	0.5
237.02838	1.5
238.05356	0.8
244.06406	10.0
248.09317	0.9
261.09055	16.8
268.18243	0.7
284.11288	0.7
286.07465	2.1
289.09720	0.7
302.12247	0.7
303.10114	2.4
316.08478	0.7
334.09637	4.4
339.10098	1.1
370.09756	0.6
377.13812	8.9
388.10709	0.7
423.14340	40.2
424.14178	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.229
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	2.5
67.05508	0.7
67.69001	0.6
69.03427	1.8
69.07082	0.6
70.06600	1.4
71.47949	0.6
74.06087	8.1
77.49508	0.5
79.05479	0.9
81.07069	0.8
84.08160	1.0
85.02903	1.0
86.09711	100.0
87.10017	0.6
89.31510	0.5
91.05507	1.3
93.07040	0.8
95.04943	0.6
97.02892	0.8
98.06085	1.0
99.05593	0.8
110.07191	0.7
116.07101	1.1
119.08611	0.9
120.08112	14.8
121.06488	0.9
121.08499	0.6
125.09663	1.3
126.05531	5.9
127.03925	0.7
133.10159	0.6
138.09190	0.5
144.06538	0.8
166.08618	5.8
173.13324	0.9
195.11320	4.0
211.14520	1.2
239.13930	11.9
271.06122	1.9
279.17059	8.6
297.12073	0.6
299.10507	0.6
360.19241	1.3
422.06018	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97524	4.2
55.05489	13.0
57.07059	9.2
67.05505	21.6
69.07058	19.9
69.26321	30.5
69.26734	9.2
71.08633	5.9
79.05478	13.0
81.07048	24.2
83.08598	9.2
89.06007	17.3
90.52267	5.4
91.05463	12.7
93.07043	35.1
95.08602	37.6
97.10153	5.2
105.07016	18.2
105.45232	4.7
107.08593	12.5
109.10136	19.2
111.08068	8.1
113.00004	21.1
119.08559	15.1
121.10142	24.4
127.07592	4.6
131.08554	8.8
133.08566	8.4
133.10115	16.3
135.11690	7.0
139.07549	8.4
145.10075	6.7
147.11626	6.5
149.09537	5.8
149.13249	7.5
153.09091	8.0
157.10101	5.0
159.11679	8.1
163.14825	5.6
165.75775	5.1
167.10754	5.7
169.02562	22.3
171.11696	8.3
173.13226	5.5
191.17918	7.0
199.14812	4.5
201.16350	6.1
203.17946	4.6
215.14175	5.6
278.84137	5.6
355.76453	5.3
403.30991	5.8
403.35812	100.0
421.20331	7.2
421.34665	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	421.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05791	1.2
55.05516	9.7
57.07059	3.7
58.17697	1.2
59.04995	3.5
67.05511	12.3
68.46551	1.2
69.07069	18.1
69.60819	1.3
69.99367	1.2
71.04989	1.1
71.08643	2.2
71.49023	1.5
74.45939	1.2
79.05498	10.5
81.07064	25.5
83.08624	4.6
89.06045	4.5
91.05471	9.2
93.07053	20.0
95.04980	1.6
95.08612	56.9
96.65489	1.3
97.06551	2.1
97.10158	3.7
99.08076	1.5
105.07034	22.0
107.08604	37.1
109.06519	4.2
109.10162	26.8
111.11718	4.4
115.59995	1.1
117.07022	3.0
119.08591	35.4
121.10155	41.8
123.08068	4.8
123.11714	10.1
124.98925	1.4
129.07004	1.8
130.07809	1.8
131.08578	13.2
133.08572	1.6
133.10138	32.0
135.08060	4.2
135.11697	18.0
137.09674	6.4
137.13261	9.7
140.46857	1.4
142.07808	3.9
143.08583	9.7
144.09349	2.3
145.10130	18.9
147.08017	2.0
147.10637	2.2
147.11703	19.1
149.09631	11.8
149.13254	7.2
155.08531	2.9
156.09343	4.5
157.10118	12.1
158.10912	5.9
159.11716	29.8
161.09660	7.1
161.13242	13.2
163.11169	2.4
163.14833	5.6
169.10172	3.0
170.10922	2.7
171.11655	8.6
173.09483	1.5
173.13284	49.4
174.13960	5.9
175.11229	5.3
175.14847	26.0
177.12767	1.6
177.16351	9.4
183.11674	5.3
184.12488	4.0
185.13229	7.5
187.14847	9.8
189.12782	2.2
189.16418	6.5
191.14409	2.0
191.17960	41.2
193.15913	5.4
195.11751	2.0
196.12442	1.9
197.13263	3.3
199.14845	13.3
201.12819	1.9
201.16403	5.3
202.13512	2.6
203.14363	11.5
203.17937	10.0
205.19604	1.9
207.17491	5.0
209.13225	2.4
210.13980	1.4
211.14838	3.0
213.16400	4.9
215.18021	6.2
217.15894	88.7
217.19519	8.9
219.17464	3.3
225.16466	5.5
227.17914	3.2
229.15944	3.5
229.19548	3.8
231.17493	9.5
231.21092	1.8
239.18002	2.4
239.86783	1.4
241.19585	1.5
243.17487	13.1
255.21156	2.1
257.19080	3.9
265.19498	1.8
269.18732	1.3
269.22662	1.9
271.20670	1.8
293.22675	2.7
295.24338	1.6
297.22211	2.1
311.23782	3.7
325.25128	2.3
347.10928	1.5
363.30524	3.0
403.33606	14.6
421.34674	100.0
422.34943	3.7
431.74884	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
54.92003	0.5
55.01865	0.8
55.05518	2.7
57.03429	0.7
57.07057	0.9
57.85210	0.5
65.03945	0.8
67.05515	3.6
68.99786	0.8
69.03435	6.7
69.07074	2.9
70.06589	2.5
71.04992	1.0
72.08155	0.6
77.03918	0.6
79.05078	0.7
79.05499	7.9
81.03429	2.7
81.06651	0.7
81.07063	7.6
83.04974	3.2
83.08632	1.0
84.08127	1.6
85.02893	1.5
85.06545	1.0
86.09695	2.1
87.00829	2.5
91.05483	7.6
93.07046	5.5
95.04971	2.1
95.08609	2.6
95.98547	0.4
97.02882	2.4
97.06554	1.0
99.04453	0.9
100.76774	0.6
103.05429	0.7
105.07032	11.0
107.04964	4.6
107.08599	23.7
109.02876	5.0
109.06512	2.4
109.10165	7.0
111.08104	0.8
115.05455	2.1
117.07012	2.8
119.08609	5.0
121.06493	3.3
121.10145	10.9
122.07307	6.7
123.04437	0.5
123.08069	2.2
125.02396	0.5
125.05972	0.5
125.09635	1.6
127.03924	15.4
129.07016	0.6
131.08574	3.8
133.10136	100.0
134.10509	1.3
135.08063	7.4
135.11687	1.5
137.05991	1.3
137.09624	56.3
138.10027	0.6
143.08580	1.0
145.04953	0.6
145.10107	2.0
147.08073	0.7
147.11688	2.3
149.09656	3.2
149.13272	7.2
157.10100	0.6
158.10930	2.1
161.05989	1.1
161.09630	1.1
163.11255	0.5
163.14876	2.0
167.07037	0.8
169.04941	0.7
171.11705	0.8
173.09711	0.5
173.13278	5.4
179.07045	0.5
187.11143	1.1
189.05652	0.5
189.12787	0.9
191.14311	44.4
192.14687	0.7
195.02942	0.7
201.12700	0.6
203.07108	0.7
213.03909	2.9
215.14255	0.6
231.05061	1.4
243.10254	0.8
246.11253	0.7
258.61880	0.5
259.09906	1.0
299.16254	1.0
315.06540	0.8
317.17517	1.5
335.18637	1.0
343.05893	0.6
375.08563	0.8
403.17474	1.8
421.05646	1.7
421.14624	1.1
421.19208	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	3.4
56.05027	4.0
65.03922	0.8
67.05504	9.1
68.05024	2.4
69.07085	3.5
70.06597	60.7
70.68619	1.5
70.68984	1.3
72.08152	1.3
79.05497	8.5
79.88505	0.8
81.07069	7.4
83.08608	1.0
86.06071	11.0
88.07628	1.0
91.05482	3.3
93.07056	8.8
95.04993	0.8
95.08624	5.6
96.08142	2.3
98.06106	1.0
107.08616	3.6
109.10142	2.6
113.30862	0.8
114.05537	27.7
114.09175	37.3
117.07025	0.9
119.08576	2.0
121.10163	3.0
122.68665	0.7
126.81197	0.9
131.08600	1.3
135.11659	1.1
137.72461	0.8
142.08646	63.3
143.09027	0.9
143.69838	0.7
147.11761	1.3
160.09705	100.0
161.10063	1.3
161.13356	0.8
256.70831	0.7
301.44113	0.8
309.12683	0.9
319.26337	3.0
374.30551	2.1
401.99619	0.8
420.31113	77.3
421.31390	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79686	0.4
53.03954	1.0
55.05505	0.9
57.07066	1.3
61.02922	0.4
67.05518	3.4
69.03425	1.4
69.07066	1.5
70.06592	1.0
71.29140	0.8
79.05493	7.5
79.05915	0.6
81.03429	1.4
81.07061	100.0
82.07394	0.7
85.02898	3.2
86.09683	0.5
87.00835	1.7
90.01481	0.4
93.07054	1.0
94.72350	0.4
95.08615	12.3
97.02901	1.6
99.04448	0.6
105.01871	2.4
105.07027	0.7
109.02875	1.0
109.10190	1.4
127.03922	3.0
137.13254	17.0
145.05003	2.0
150.31839	0.5
159.02960	0.6
231.05037	1.1
248.07536	0.5
249.05888	0.5
267.59454	0.6
433.60284	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.5
55.01867	1.9
55.05515	0.9
57.03440	1.3
57.07066	2.3
61.02927	1.2
67.05514	5.9
69.03439	8.5
69.07069	5.7
70.06599	1.0
70.79111	2.3
71.05000	1.0
73.02915	1.6
79.05492	7.4
81.03434	4.7
81.07065	100.0
82.07389	1.2
84.08126	1.0
85.02917	16.2
87.00821	7.3
91.05490	0.8
93.07030	1.6
94.84006	0.8
95.08615	21.6
97.02897	9.2
99.04437	2.0
105.01871	9.7
107.08630	1.2
109.02885	5.0
109.10159	2.1
117.01781	0.9
127.03925	13.4
136.27020	0.8
137.13274	18.0
145.04982	7.8
159.02896	3.3
185.00635	0.8
195.10188	1.0
231.05049	4.0
242.32721	0.7
249.06091	0.9
379.33069	0.9
385.09402	0.8
387.19519	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	1.9
55.01861	8.7
55.05504	4.2
56.05066	2.3
57.03442	13.1
59.17722	2.2
60.04522	2.4
61.02937	12.7
69.03091	2.5
69.03435	27.5
69.07073	4.0
69.27663	2.0
70.06599	20.9
71.01354	3.2
71.05012	2.7
72.08155	6.6
73.02921	65.4
74.06041	2.7
81.03438	5.3
83.04972	3.6
84.04523	5.6
84.08131	10.0
85.02915	61.6
86.09731	12.8
87.00829	2.9
87.04452	5.2
91.03944	3.5
91.05489	100.0
93.07041	3.6
95.04981	2.7
97.02905	50.5
98.21619	4.3
99.04478	2.7
100.11268	3.1
103.03964	3.4
105.06991	4.0
107.08577	6.9
109.02859	8.2
109.59280	2.5
110.07153	6.2
114.05618	2.8
115.03926	24.5
117.07005	4.3
120.08080	3.1
121.06394	2.1
127.03918	23.1
129.07027	3.8
129.10220	4.5
131.08495	2.5
133.04980	25.5
133.06494	6.6
135.08054	21.1
136.07545	3.6
137.05963	2.8
145.04967	29.5
145.06465	4.5
149.05951	2.0
150.07655	3.6
154.05026	2.4
157.06482	2.7
162.58060	2.3
163.06044	11.4
163.07446	4.0
175.07533	2.9
179.44801	2.1
187.07579	2.9
199.09637	6.2
202.02548	2.2
205.08681	2.4
215.95078	1.9
217.04982	4.0
217.08517	4.2
223.06010	7.7
241.07066	6.8
253.10764	3.7
258.07922	3.3
259.08276	5.1
271.90759	2.7
279.07590	2.3
295.10254	3.2
318.94952	2.6
333.14996	3.3
334.15598	10.2
376.16602	27.0
409.11609	2.5
420.15536	51.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66454	1.1
53.03943	6.4
55.01872	8.9
55.05499	1.3
56.05017	1.1
57.03432	5.3
61.02923	5.8
68.99789	3.2
69.03435	34.9
70.06601	12.3
70.66570	3.4
71.04987	4.1
72.08149	4.9
72.60409	1.2
73.02917	5.8
79.05486	1.4
81.03421	25.7
81.07039	1.7
83.04948	1.6
83.06097	1.7
84.04492	1.3
84.08139	4.3
85.02911	100.0
86.09707	6.5
87.00835	36.5
87.04496	1.8
91.03971	2.5
91.05486	11.0
97.02896	29.2
98.06074	1.8
99.04457	13.1
103.03908	1.6
105.01871	41.5
105.02581	2.2
105.06990	3.6
107.04941	2.1
108.04472	3.6
109.02891	26.4
110.07172	2.8
115.03916	1.6
115.05473	1.7
117.01818	4.1
119.04929	6.5
120.08087	2.1
123.04427	3.3
126.05478	1.9
127.03925	52.7
129.01822	4.3
129.10208	2.4
133.03119	1.1
133.06514	3.0
135.08026	3.1
137.05988	29.7
143.04919	2.0
145.04965	26.3
147.02905	2.8
147.04425	2.9
147.07947	1.1
151.07558	10.7
153.07033	1.3
154.08672	1.5
155.07007	1.8
157.06548	2.0
159.02908	11.9
159.11250	1.5
161.06010	10.0
163.03880	1.9
163.07573	2.2
165.05501	5.4
165.12007	1.1
171.02847	1.3
173.05891	2.1
175.07538	4.6
179.07063	25.3
185.05936	1.4
189.03938	6.4
189.05473	1.6
191.06975	1.7
199.07509	1.9
202.02618	2.1
203.07057	7.3
212.50104	1.1
213.03986	2.1
217.04935	4.5
217.08557	3.4
221.08136	12.1
227.07082	1.9
231.04993	12.9
234.98985	5.0
245.08072	14.7
248.07671	2.1
249.06032	3.7
263.09140	22.1
285.40497	1.2
289.03616	2.8
349.09164	4.0
367.10184	3.9
417.05511	1.2
420.15820	2.5
420.24780	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.15
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.2
55.01883	12.2
56.05038	2.7
57.03424	6.1
59.53262	2.3
60.04547	2.4
61.02924	7.6
62.06512	1.9
62.81237	1.8
67.05494	2.9
68.99784	2.9
69.03432	36.3
70.06602	25.0
70.78870	1.9
71.04990	4.8
71.48904	2.8
72.08156	9.4
73.02917	8.4
74.06094	2.2
81.03416	31.2
84.04503	3.5
84.08141	10.0
85.02907	100.0
86.09697	11.3
87.00836	37.5
87.10056	4.0
91.05474	10.4
91.12875	2.0
95.04955	3.3
97.02894	39.5
98.06039	2.2
99.04489	16.6
103.03953	2.3
105.01870	36.2
105.07032	7.1
107.08579	4.5
109.02875	28.9
110.07170	5.2
115.05466	3.7
116.07131	2.2
117.01856	5.3
119.04931	5.5
120.08100	8.9
123.04445	7.6
124.07570	4.2
127.03922	63.0
127.07526	2.5
129.01836	3.7
129.10255	4.2
129.68289	2.1
133.06474	4.9
135.08047	14.2
136.07565	3.0
137.05978	48.7
137.06961	4.0
145.04971	26.8
145.06122	3.2
145.06416	2.5
146.06119	2.1
147.04395	4.4
151.07552	11.8
154.08623	7.9
155.07031	5.6
157.06531	2.7
159.02916	19.5
161.05994	11.8
163.03946	3.2
163.07558	3.5
165.05499	8.7
173.12779	2.3
174.13249	1.9
175.07582	6.7
177.05450	3.1
179.07054	30.3
185.05998	4.0
189.03925	6.1
189.05478	2.5
199.07570	3.6
202.02609	5.1
203.07066	11.7
212.58939	2.1
213.03929	2.6
216.97993	2.3
217.05013	7.1
217.08531	3.9
221.08092	12.3
227.07014	3.5
231.05014	9.0
234.98965	8.1
245.08115	19.4
263.09158	22.5
289.03864	4.3
349.09283	6.5
367.10083	5.6
376.16589	8.6
420.15506	14.6
420.24057	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70632	0.3
53.00333	0.3
53.87955	0.3
54.63894	0.3
55.01871	0.7
57.07055	1.0
58.12815	0.4
58.57578	0.3
66.39948	0.3
67.55957	0.3
67.74054	0.3
68.42788	0.3
69.42412	0.4
70.02321	0.3
70.17429	0.3
70.93163	0.8
71.08617	0.6
81.07092	0.5
85.06571	0.4
85.10157	0.5
99.00854	0.6
99.04456	3.5
111.04459	3.0
125.05072	0.5
125.06000	11.0
141.05467	3.9
149.02380	0.9
153.05473	100.0
154.05783	1.0
167.07034	0.4
193.02983	0.3
237.76375	0.3
251.04715	0.5
268.26340	0.3
419.35226	32.8
420.35629	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.331
Annotation	8'-apo-beta-Carotenol
Peak:m/z	Relative Intensity
55.05506	8.3
57.07082	14.1
61.68082	2.7
62.19764	2.8
62.49739	2.6
67.05505	10.8
68.28790	2.4
69.07063	18.0
69.07372	2.7
79.05502	9.6
81.07063	25.7
83.08610	4.7
91.05478	14.1
93.07043	20.5
95.05027	3.2
95.08615	50.0
98.77149	3.2
105.07034	26.1
107.08603	33.6
109.06500	3.0
109.10166	26.1
117.07026	4.6
118.16155	2.7
119.08579	28.7
121.10156	31.3
123.11727	12.8
127.55637	2.5
129.06944	3.3
131.08580	14.6
133.10129	29.5
135.11678	26.2
137.13246	3.4
140.97459	3.2
143.08536	13.7
145.10132	24.3
147.11684	16.0
149.13278	6.8
155.08611	5.1
156.09392	4.1
157.10185	11.4
159.11707	18.3
161.13300	10.2
163.14743	4.0
169.10147	8.7
171.11745	9.3
173.13309	9.2
175.14909	6.2
177.16478	6.7
181.10078	3.3
183.11794	7.5
185.13289	12.4
187.14764	19.4
189.16402	29.1
191.17955	56.8
197.13232	7.4
199.14827	14.3
201.16318	15.3
203.18005	8.8
209.13342	3.6
211.14815	6.9
213.16473	7.1
215.14285	14.5
215.18138	4.0
217.15955	5.5
223.14871	5.5
225.16487	5.5
227.14439	6.2
229.15993	13.1
235.14963	4.9
250.06374	4.0
251.04663	7.6
251.06863	4.7
261.81860	3.0
267.25720	2.7
292.63446	3.0
293.22665	3.2
307.10794	4.3
307.24268	4.1
317.22913	3.1
363.18271	5.9
363.26730	3.5
391.33923	5.7
401.31824	25.4
413.70462	3.3
419.22812	6.6
419.28271	5.1
419.33255	100.0
419.38516	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	419.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50341	2.4
53.03935	12.3
55.01883	13.7
55.05494	5.1
57.03416	9.4
57.07079	20.5
59.05008	14.1
60.54971	2.8
61.02923	6.9
61.54236	2.5
67.05489	13.0
68.99783	4.4
69.03437	37.5
69.07065	9.5
70.06581	2.9
70.88358	4.8
70.88682	3.9
71.04979	9.5
73.02910	11.6
81.03416	47.0
81.07054	5.9
81.09144	2.6
83.08654	3.2
85.02903	73.3
85.06577	14.2
87.00827	29.0
93.07034	8.9
95.08611	64.4
97.02907	24.8
97.06500	6.3
99.04467	16.1
99.08089	17.0
105.01848	19.9
105.07045	4.5
107.08588	11.8
109.02886	38.5
109.06529	6.6
109.10147	18.7
111.08083	11.5
111.11711	3.1
113.09657	68.5
115.03909	8.4
117.01843	4.5
127.03915	62.6
127.11195	7.7
129.01852	5.1
135.11696	20.3
137.13240	12.0
145.04955	22.2
147.02896	3.0
153.12747	100.0
155.14323	24.1
159.02893	23.3
167.07079	3.3
171.13765	17.1
178.14682	3.5
210.64207	3.3
213.03851	3.4
231.04935	12.7
419.94995	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	419.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	9.3
55.01872	13.7
55.05507	9.1
57.03416	10.0
57.07062	16.3
59.04991	8.4
67.05492	18.1
68.99785	6.1
69.03438	43.5
69.07059	16.2
70.06589	10.2
71.04999	11.9
71.33445	8.5
73.02911	12.6
81.03420	46.7
81.07056	11.5
85.02908	92.8
85.06525	12.4
87.00845	32.9
91.05455	5.3
93.07066	10.0
95.08617	71.4
97.02897	28.0
97.06494	9.1
99.04442	20.2
99.08086	16.0
105.01865	22.3
107.08572	16.1
109.02873	36.4
109.06531	8.3
109.10155	19.4
111.08076	11.7
113.09651	65.6
117.01836	8.2
127.03923	59.2
127.11191	8.7
135.11681	17.3
137.13235	13.9
145.04994	29.2
147.02930	5.3
147.08102	5.5
153.12753	100.0
155.14305	27.2
159.02863	22.3
167.06993	8.4
171.13820	24.7
231.04971	6.9
268.48276	5.9
299.05750	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	419.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.7
55.01860	7.5
55.05508	4.6
57.03421	7.1
57.07078	10.7
59.04988	7.1
60.37086	2.2
67.05489	7.0
69.03438	26.4
69.07072	14.8
69.94483	8.8
70.06585	11.3
71.04986	7.0
72.08146	3.3
73.02922	5.3
73.06548	2.3
79.05489	4.3
81.03419	27.0
81.07052	7.1
83.05003	4.4
84.04487	7.1
84.08149	2.9
85.02917	46.7
85.06551	10.8
86.09694	5.9
87.00832	15.5
88.04019	1.9
91.05471	3.4
93.07035	4.9
95.04951	3.1
95.08606	25.0
97.02908	17.0
97.06521	6.7
99.04476	10.6
99.08087	13.0
105.01868	12.0
105.06982	2.5
107.08594	10.4
108.90588	2.0
109.02893	19.6
109.06512	7.6
109.10187	12.3
111.08081	6.5
113.09660	12.2
120.08096	3.2
122.02717	6.5
127.03937	33.4
127.11240	4.8
129.01788	2.6
135.08057	2.7
135.11682	9.3
138.06235	2.3
145.04971	13.9
151.11217	3.9
153.12750	100.0
154.13174	2.4
155.14363	11.3
159.02925	19.0
169.12245	5.1
171.13792	18.3
177.12804	2.7
231.04958	6.8
251.06940	3.9
268.00916	2.5
419.18237	3.6
419.22839	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	419.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66439	2.2
55.05523	3.1
67.05521	2.4
67.19829	2.3
70.06586	5.9
70.98511	5.0
70.98849	2.2
71.08655	3.3
72.08170	2.2
77.84319	2.3
79.05495	3.5
81.07066	6.9
90.14449	2.0
91.05493	4.7
92.12958	2.2
93.07059	3.2
95.08608	6.1
102.40319	2.1
105.07008	5.8
107.08641	2.5
109.10191	2.6
119.08537	2.3
121.06538	4.0
123.10414	2.2
133.10091	2.9
147.04417	2.3
147.11710	2.2
158.03659	13.9
162.03107	3.6
171.04469	5.9
177.05479	9.7
186.03131	27.2
199.03809	2.8
201.05482	100.0
215.08572	3.6
229.04984	13.4
252.11508	2.1
271.07541	7.9
299.07132	10.5
311.07016	11.8
315.10031	4.0
327.06519	44.7
328.07275	16.9
343.09488	3.1
355.06012	17.3
384.51096	2.4
387.08682	59.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
61.62313	0.7
69.03418	1.6
69.82097	4.2
70.06599	4.8
71.04980	1.1
72.08163	1.6
73.06535	0.8
81.03402	0.7
83.13019	0.7
84.04510	1.2
84.08143	1.4
85.02904	8.1
86.09707	2.5
87.04464	1.7
89.06035	76.1
95.42332	0.7
97.02900	2.0
107.07056	1.3
123.04429	0.8
127.03917	1.5
133.08611	39.7
145.04861	0.9
151.09692	3.3
177.11240	8.2
186.68768	0.7
195.12300	3.3
221.13869	0.9
239.14903	100.0
240.15152	1.3
377.53149	0.7
383.88712	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	9.1
55.05509	17.8
57.39666	7.0
59.04994	7.3
63.53909	7.1
64.83353	6.6
65.61993	6.3
67.05511	18.9
69.07062	11.2
71.48360	9.4
76.40895	7.5
78.39232	6.8
79.05517	21.3
80.89295	6.8
81.07076	26.7
83.04977	18.5
91.05473	42.6
93.07040	46.0
95.04971	12.7
95.08632	17.0
97.06557	6.9
103.05506	7.6
105.07039	92.9
107.08620	42.1
108.74225	8.4
109.06531	100.0
109.10157	11.3
117.07033	22.1
119.08593	79.5
121.10151	34.4
123.08117	15.8
124.01223	7.5
128.06216	8.9
129.07063	20.2
130.07797	12.5
131.08600	32.7
133.06575	10.0
133.10159	34.6
135.08066	13.8
135.11671	14.0
137.09636	17.1
141.06950	7.3
142.07741	16.6
143.08580	41.6
144.09377	11.6
145.06592	7.6
145.10147	65.2
147.08012	15.1
147.11714	20.3
149.09641	12.7
153.06804	7.4
155.08505	21.6
156.09370	15.1
157.10141	66.0
157.83275	8.1
158.10989	11.4
159.11705	18.7
168.09415	18.6
169.10152	22.9
171.11742	29.9
173.13301	20.3
181.10181	15.7
182.10747	7.6
183.11716	27.3
185.13251	14.5
187.14952	9.0
194.10957	8.9
195.11766	23.7
196.12585	8.6
197.13324	20.5
199.11256	9.1
199.14767	8.3
207.11772	14.9
209.13301	24.3
211.14853	11.3
213.12903	8.3
219.11670	8.7
221.13277	10.6
223.14903	17.7
237.16454	16.5
251.14111	7.8
347.14035	7.0
373.14621	7.1
374.15204	10.7
403.15033	12.5
418.16904	62.7
418.21844	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	418.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.0
55.01859	1.0
55.05516	1.1
56.96553	1.2
57.03431	2.1
61.02932	1.1
65.03942	1.9
67.05512	4.3
69.03085	0.8
69.03432	8.7
69.39001	0.9
69.39404	3.8
70.06585	2.1
71.01360	0.6
72.08163	3.1
73.02923	1.2
79.05498	3.5
80.05000	1.1
81.03423	6.1
81.05792	0.7
81.07045	0.8
84.04494	0.8
84.08157	5.4
85.02904	7.7
86.09703	1.9
87.00838	1.5
89.03912	1.2
92.05005	2.7
93.05788	0.9
94.06554	0.7
95.04948	0.7
96.08128	3.5
97.02903	4.3
98.97612	1.2
99.04447	1.6
105.01850	0.8
106.06567	27.9
108.08128	100.0
109.02889	4.8
109.08475	1.1
110.07117	0.8
110.97639	0.8
115.03941	0.7
121.06525	2.8
121.22189	0.7
123.06818	7.0
124.07598	30.3
126.05548	0.7
127.03949	4.9
128.98665	0.7
129.10242	4.1
131.01994	0.8
134.06030	15.7
135.04431	1.2
136.07594	16.0
138.09161	1.0
145.04999	0.9
148.07593	1.5
148.88928	0.6
152.07079	82.4
153.07500	1.2
156.07716	0.6
163.03923	7.7
164.04341	0.9
170.08139	20.2
176.07114	1.0
179.06465	0.7
187.06047	1.7
193.03549	0.9
194.08131	1.3
210.12416	0.7
217.05147	0.6
220.02211	0.7
224.12878	0.6
226.22787	1.4
256.02289	0.9
295.21176	0.6
314.12448	2.9
328.04544	0.6
332.13376	6.0
338.12375	2.0
356.13412	8.2
374.14523	13.3
382.11301	1.4
400.12445	12.4
418.13464	44.3
418.18219	1.7
418.25690	2.4
419.13947	1.7
436.12024	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.6
55.01879	1.7
55.05513	8.5
57.03442	1.4
57.07069	1.2
57.07770	0.8
61.02909	0.8
65.03931	0.9
67.05511	4.7
68.99770	0.8
69.03434	6.6
69.07057	1.3
69.50826	5.5
70.06596	2.9
72.08163	1.2
73.02911	1.0
79.05501	2.8
81.03426	5.0
81.07066	6.5
81.23997	0.7
83.04988	100.0
84.05334	0.9
84.08166	1.3
85.02907	8.3
85.06564	1.2
86.09726	2.1
87.00842	2.5
91.05484	3.0
91.18726	0.7
93.07060	2.9
95.04990	2.2
95.08633	2.2
97.02898	2.9
97.06570	0.9
98.20792	1.5
99.04458	2.3
103.05474	1.0
105.01880	2.6
105.07039	3.1
107.04989	0.9
107.08620	2.7
109.02892	4.1
109.06549	4.3
109.10184	3.4
113.06051	2.3
115.05502	1.2
117.01867	0.9
117.07019	1.5
119.08623	1.5
120.08134	1.5
121.06475	1.4
121.10159	2.0
123.04440	1.2
123.08143	1.2
123.11730	2.2
125.09643	3.6
127.03934	5.9
131.04968	1.3
131.08629	0.9
133.10123	1.5
145.05049	1.0
145.06500	1.5
145.10136	1.6
146.06001	0.9
151.09982	1.8
151.11189	30.9
159.02985	1.3
163.07600	1.1
167.07045	13.2
167.08409	1.0
169.12253	61.5
173.06024	2.1
181.04927	7.3
187.99605	0.8
191.07056	1.0
231.05168	1.1
233.08099	1.3
247.22180	0.8
313.07172	0.8
333.07962	0.9
387.14615	1.7
389.14096	1.4
417.15759	2.9
417.26639	1.5
426.80368	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.7
55.01864	1.4
55.05506	2.5
56.05038	0.6
57.03445	2.7
57.07072	2.5
61.02908	0.9
64.68388	0.5
67.05514	5.6
68.99776	0.7
69.03432	14.0
69.07055	2.3
70.06586	3.3
71.04641	0.7
71.04999	4.8
71.48915	0.6
72.08147	1.5
73.02911	1.5
78.04697	0.6
79.05481	2.1
81.03419	6.1
81.06668	0.7
81.07067	9.7
81.94238	0.5
82.06544	0.6
83.04974	3.7
83.08611	1.5
84.08146	2.4
85.02908	12.7
85.06542	12.2
86.09718	4.5
87.00838	5.3
91.05473	2.4
93.07065	2.7
95.04973	3.1
95.08610	2.7
97.02890	4.5
97.06518	1.9
99.04452	3.2
99.08070	0.8
100.07623	0.6
100.11271	2.9
105.01878	2.9
105.07008	1.6
107.04971	1.0
107.08547	2.8
109.02882	6.0
109.06512	3.8
109.10155	12.4
110.05968	0.6
110.07204	0.7
111.04435	0.8
111.08052	2.6
112.81094	0.5
113.06010	3.3
115.05494	0.7
115.08670	0.6
117.07041	1.0
119.08592	1.1
120.08099	0.7
121.10143	4.6
123.04430	1.2
123.08060	1.9
123.11709	13.4
124.05178	0.7
125.09629	1.9
127.03933	8.5
127.08680	1.0
128.07069	0.8
129.01801	0.6
129.10219	1.2
129.96866	0.5
131.08589	0.9
133.10133	1.9
135.08081	0.7
135.11688	0.6
137.05952	0.7
139.11176	4.8
140.07025	0.6
145.04962	2.9
145.06453	1.6
146.06044	0.6
149.09612	0.7
151.03926	0.7
151.11192	10.4
153.12732	3.1
155.07094	1.0
159.02881	1.7
167.07059	17.4
169.12247	100.0
170.12549	1.7
173.05971	3.5
181.05011	3.8
182.15436	2.1
189.04030	0.7
205.08711	0.5
209.16566	0.8
210.14937	2.3
231.05048	1.9
233.08076	1.4
234.81784	0.6
277.14249	0.7
315.05072	0.5
315.34055	0.6
337.20984	0.7
373.18295	1.1
381.23755	0.6
387.14359	2.5
399.24847	1.3
417.15952	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	417.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	15.4
55.01884	14.2
55.05505	6.0
55.83294	2.7
57.03430	11.4
57.07074	9.6
59.04999	2.6
61.02917	8.7
67.05503	9.7
68.77747	2.3
68.99781	5.3
69.03435	68.0
69.07061	8.3
69.22736	8.9
69.23164	15.2
70.06576	3.8
71.05007	16.9
72.08157	6.1
73.02934	15.1
79.05498	5.8
81.03422	64.1
81.07068	27.1
83.04990	4.9
85.02917	100.0
85.06560	6.7
86.09709	16.2
87.00832	44.7
87.04504	3.0
91.05460	5.3
91.85521	2.7
93.07050	9.8
95.04971	7.1
95.08612	9.2
97.02894	36.7
97.06531	30.5
98.97600	5.9
99.04467	25.0
101.55596	3.0
105.01868	22.2
105.07031	6.2
105.39312	2.6
107.08588	6.6
109.02897	56.0
109.06587	12.8
109.10168	16.6
111.08112	5.3
115.03937	3.2
117.01863	2.6
120.08099	3.0
121.06506	2.7
121.10155	3.7
123.11721	43.0
125.09637	6.9
127.03930	91.0
129.01860	6.4
133.10191	3.8
135.08011	2.7
139.11191	5.2
145.04958	30.3
147.02895	4.6
151.11192	64.5
153.12759	30.4
159.02928	30.2
167.07024	8.0
167.10646	5.7
169.12254	43.4
171.11499	3.1
181.04887	3.5
185.16539	2.8
188.07170	4.3
213.16107	2.9
219.01729	3.5
231.04988	13.8
400.11630	3.5
417.17670	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	417.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72276	1.0
51.19777	1.0
53.03953	1.7
55.05516	7.8
57.07068	1.0
65.03936	2.3
67.05508	5.4
69.03421	4.0
69.07037	1.3
70.06579	2.0
71.49329	1.3
72.08159	0.9
73.02908	1.0
73.87035	1.0
79.05492	3.5
80.55185	0.9
81.03408	3.0
81.07066	7.3
83.04987	100.0
84.08158	2.0
85.02898	4.9
85.06530	1.1
86.09726	1.1
87.00829	1.0
91.05476	4.2
93.07033	3.8
95.04962	4.4
95.08613	2.2
97.02881	1.1
97.06531	1.3
99.04449	1.6
103.05425	1.5
105.07025	4.9
107.04980	1.9
107.08600	3.1
109.02840	1.7
109.06529	5.8
109.10155	3.2
111.88408	1.0
113.06002	2.0
115.05434	1.2
117.07030	2.3
119.08492	1.3
121.10125	2.1
123.04424	2.9
123.08082	1.9
123.11695	2.6
124.05202	1.2
125.09639	2.2
127.03979	1.9
131.04927	1.3
131.08543	1.4
133.10121	1.9
135.08060	2.1
137.06015	1.4
145.06502	2.6
151.11195	65.3
152.04726	1.1
155.06042	1.7
163.07585	1.7
165.09155	1.4
167.07062	31.9
169.12247	72.4
173.05943	3.8
181.04980	13.4
185.09612	1.1
191.07056	3.6
205.08531	1.2
217.08575	1.3
233.08179	2.6
267.06522	5.9
297.07602	2.0
307.10080	1.0
321.07547	1.9
387.14285	3.8
397.20419	1.0
417.15842	6.1
439.52289	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07055	0.3
69.76308	0.4
71.48281	0.4
74.32378	0.3
94.66096	0.3
95.08596	0.4
106.09966	0.3
115.05496	0.3
115.64244	0.3
117.07010	0.8
118.21311	0.3
119.08566	0.3
122.50449	0.3
145.06459	1.1
158.03642	17.2
159.04048	0.4
167.07034	0.3
173.06003	1.0
175.00128	0.3
186.03128	32.9
187.03493	0.9
201.05475	100.0
202.05815	1.9
221.53040	0.4
315.06519	1.0
342.05420	1.6
343.06036	2.3
357.07498	1.2
370.04962	0.6
385.07288	1.7
402.07404	1.0
417.09702	19.5
418.09970	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	10.9
53.78848	1.4
55.01884	9.4
55.05508	11.5
57.03425	6.1
57.07072	1.8
59.05014	1.9
59.31816	1.5
61.02917	5.0
65.03935	4.2
67.05505	10.6
68.99782	3.6
69.03435	52.7
69.03816	3.2
69.07069	16.1
70.06590	5.8
70.51254	2.0
71.01352	2.1
71.04993	13.6
71.48242	1.5
73.02917	10.7
73.16557	1.6
78.04693	2.2
79.05495	11.1
81.03426	53.7
81.07066	20.1
82.06548	2.1
83.01360	1.9
83.04967	4.6
83.08616	6.7
84.08154	4.2
85.02914	68.4
85.06549	2.0
86.09692	4.6
87.00307	2.6
87.00831	35.2
91.03992	2.0
91.05486	7.9
93.03451	2.0
93.07058	10.0
95.04961	8.6
95.08618	9.2
97.02907	25.2
97.06538	42.5
99.04469	16.4
100.07628	2.0
100.11272	17.8
101.06023	2.1
103.05469	5.1
105.01878	18.7
105.07021	7.4
106.04099	2.2
107.04944	7.7
107.08580	9.3
109.02889	46.3
109.06512	6.2
109.10170	13.4
111.04469	4.2
111.08114	7.7
113.05983	3.1
115.05431	3.6
117.01846	5.1
117.07022	6.3
119.08541	3.4
121.06496	3.7
121.10145	7.0
123.04456	8.4
123.08114	1.8
123.11712	15.0
125.05958	2.9
125.09624	2.6
126.09155	1.8
127.03921	64.1
128.07018	3.0
129.01843	4.5
131.04887	2.0
131.75261	1.6
133.10135	5.3
135.08076	3.0
135.11708	4.0
137.05951	3.4
137.09647	2.0
139.11217	3.6
139.88774	1.7
143.08556	2.2
145.04964	19.7
145.06464	5.8
145.10101	3.2
147.02930	3.1
147.11700	2.6
148.05202	2.2
151.11176	31.5
151.12366	2.1
153.12755	46.3
155.06001	3.3
157.10138	3.5
159.02893	26.9
161.13260	2.5
163.07545	3.9
167.07045	100.0
167.10765	2.8
168.07440	1.8
168.13864	7.8
169.12257	44.8
171.11636	2.4
173.05997	14.5
177.16409	2.0
180.83855	2.0
181.04964	45.8
182.15422	6.6
185.16376	1.9
191.07072	11.5
193.08482	2.3
196.13345	7.5
199.14883	1.9
199.18095	1.9
205.08595	3.6
207.06558	1.9
209.16490	3.5
210.14970	8.8
213.03911	3.1
231.05072	13.1
233.08092	5.7
235.09662	4.7
262.61188	1.6
292.17447	1.7
295.19962	2.1
310.73975	3.3
387.14426	16.1
399.14294	2.9
399.25427	2.7
405.07956	1.6
417.15613	27.3
417.29358	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	416.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.3
55.19004	0.6
57.07070	1.3
67.05498	3.9
69.03439	0.9
69.07062	1.9
71.08624	1.2
71.48304	0.7
79.05498	3.1
81.07043	0.9
83.08615	0.7
93.00152	0.7
93.07047	1.5
94.07816	1.1
95.08609	7.0
97.10180	0.7
105.07015	1.4
107.04961	13.6
107.08652	1.0
108.05735	0.7
109.06551	0.7
109.10178	1.1
109.19524	0.6
119.08629	0.6
121.06506	2.5
122.07288	19.3
123.08078	9.6
124.08875	0.9
134.16478	0.6
135.08049	6.0
137.06009	1.5
138.06776	2.1
145.10191	0.8
147.08049	0.7
149.05908	0.7
149.09637	1.3
150.06769	50.2
151.07550	82.7
152.08347	4.6
155.45438	0.7
162.06754	0.8
163.07565	4.2
163.11241	1.7
164.08339	1.5
165.09119	0.7
173.09633	2.5
176.08348	1.2
177.09106	3.2
190.51230	0.6
191.08948	1.4
191.10680	26.4
232.28337	0.6
299.92792	0.7
304.22696	0.7
416.36496	100.0
417.36914	4.7
420.48929	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	5.3
55.05508	19.2
56.05029	2.4
57.03413	2.7
60.04506	2.8
65.67660	2.7
69.03419	3.1
69.07066	3.6
70.06595	35.4
70.64747	4.3
70.65086	5.0
72.08160	69.1
73.06556	25.6
74.06063	2.7
76.36722	2.3
79.06209	2.1
80.63749	2.5
84.04510	5.2
84.08153	15.3
85.02904	6.5
86.09704	67.4
87.05600	3.1
87.10028	3.4
88.03974	2.8
90.09196	84.8
97.02861	2.8
103.03930	3.2
103.07545	2.3
110.06017	3.5
110.07169	6.5
121.06502	2.6
123.04435	76.3
123.05339	3.8
127.03910	3.0
129.10220	9.8
133.06058	13.3
135.04445	4.1
136.07579	3.5
137.05904	2.9
143.11806	8.1
143.89375	2.7
147.04407	7.5
151.03922	7.1
153.99904	3.3
157.13370	5.1
161.06009	3.1
163.03932	3.7
165.05478	6.8
168.10109	2.7
171.11308	11.2
185.12846	6.4
195.01106	4.6
231.06578	3.0
232.12898	2.5
241.09850	3.7
246.14520	8.2
254.13872	100.0
278.13818	7.3
284.19812	2.9
317.77640	2.7
320.14914	3.3
400.15146	2.6
416.13901	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	416.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.01868	0.3
55.34772	0.2
57.40204	0.2
61.02916	0.3
67.05479	0.5
69.03429	1.2
69.07079	0.3
70.06599	2.9
70.36317	0.2
71.02606	0.4
71.02956	0.5
71.05001	0.3
71.06938	0.3
72.08162	0.9
79.05484	1.1
81.03413	0.8
81.07070	0.5
82.06583	0.4
84.04507	0.9
84.08137	1.7
85.02906	1.4
86.09713	4.4
87.00822	0.7
91.05470	1.0
92.06260	0.9
93.05797	0.6
93.07034	0.3
94.06569	0.6
95.04957	0.3
95.08556	0.4
97.02888	0.6
99.04463	0.3
103.05466	0.3
105.07019	3.0
106.06569	0.7
107.07337	3.6
107.08579	0.3
108.08121	0.6
109.01179	0.2
109.02894	0.8
109.10162	0.5
110.06071	0.4
110.07187	0.3
110.09648	0.4
117.05762	0.8
120.08097	1.1
122.06026	0.3
122.09676	12.0
123.11672	0.3
124.07577	0.5
127.03907	1.0
129.10291	0.4
130.06487	0.4
132.08113	1.2
135.06790	0.9
135.07983	0.4
136.03903	0.3
136.07558	1.9
138.09137	0.7
148.06116	0.3
148.11159	1.6
150.09146	100.0
151.09489	1.5
154.05054	0.6
159.02957	0.4
159.09193	0.6
160.03981	0.3
162.09166	0.5
163.03926	0.5
164.07127	1.0
167.07036	0.9
167.99358	3.4
168.10205	2.1
181.05003	0.5
181.91438	0.3
190.08704	0.4
231.04944	0.3
235.14359	0.4
236.09045	0.3
241.09744	0.7
259.10852	0.3
261.14508	0.8
287.10226	1.6
296.11194	0.4
305.11313	2.0
416.17941	1.7
417.17352	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1025
Annotation	1-OH-Nogalamycinone
Peak:m/z	Relative Intensity
53.03934	0.3
55.01857	0.9
57.03410	0.7
60.04497	0.3
65.03922	0.5
67.05510	0.3
68.99783	0.9
69.03407	0.7
69.07050	0.2
70.06580	0.6
71.04001	0.4
71.12376	0.2
72.08124	0.6
73.02905	0.3
79.01871	0.2
79.05499	0.3
81.03418	1.5
84.08103	0.6
85.02916	1.3
85.03304	0.2
86.09713	1.8
91.05486	1.5
92.99744	0.3
93.07020	0.5
95.04935	0.7
95.08539	0.2
97.02856	0.8
103.03902	0.4
105.03388	0.4
105.06989	0.3
107.04939	0.6
109.02905	1.2
118.06511	0.3
119.04134	0.2
119.04945	3.4
121.02017	0.5
121.02871	9.4
121.10114	0.3
123.00786	1.2
127.03905	0.8
131.04880	0.5
135.04399	1.1
137.02356	0.4
141.01802	1.0
145.02853	3.2
145.04913	0.2
147.04437	0.7
149.02313	0.6
153.01793	0.4
156.38718	0.3
159.04395	0.5
161.02321	0.4
163.03928	5.2
165.01845	16.7
166.02171	0.3
167.03383	0.4
173.02428	0.3
175.03854	0.6
177.01872	0.3
177.05420	0.8
179.03323	0.5
181.05090	1.1
181.06392	0.3
183.02904	2.7
187.03952	2.2
189.01817	0.7
190.99728	0.5
191.03381	2.6
195.02710	0.3
199.03925	0.3
199.17909	0.2
203.03424	0.6
205.01263	0.3
205.04977	0.8
207.02815	0.3
211.07570	0.3
212.64520	0.2
213.05377	0.4
215.03362	1.1
217.05014	0.4
221.04362	0.3
229.04910	0.7
231.03036	0.3
233.04424	0.8
235.16948	0.5
236.11337	0.3
242.05814	0.3
243.02968	1.8
253.08397	0.3
255.06480	0.7
261.03998	0.8
267.06494	2.7
270.05219	1.7
271.06027	6.5
273.03879	0.3
277.08716	0.4
279.06561	1.9
280.07083	0.3
281.04974	0.4
281.08093	12.0
282.08359	0.5
283.06015	100.0
284.06549	4.2
285.07635	0.3
291.06467	0.5
293.07950	0.8
294.05307	0.8
295.06009	8.9
295.09604	2.6
296.06448	0.6
297.03937	0.6
297.07501	3.4
305.08069	3.1
307.05963	2.8
308.06781	2.4
309.04184	1.6
309.07559	31.4
310.07932	1.0
311.05325	1.1
313.07022	3.3
320.06674	0.3
321.07602	3.5
323.05740	0.7
323.09122	16.8
324.09476	0.3
325.07120	0.6
333.07565	3.8
334.08035	0.4
335.05490	0.7
337.07065	48.0
338.07507	1.4
349.07083	12.8
350.07391	0.6
351.08667	3.1
355.08203	0.6
361.07080	10.9
367.08148	18.2
368.08505	0.5
379.08148	19.4
380.08524	0.6
397.09189	21.4
398.09564	0.7
415.10239	16.4
416.10837	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1003
Annotation	3'-Deoxyderhamnosylmaysin
Peak:m/z	Relative Intensity
55.72549	7.7
64.81325	7.0
70.06597	7.5
70.38896	23.7
77.69598	7.4
79.28238	6.0
88.92107	6.5
136.94016	16.9
250.94162	7.9
260.74289	7.1
415.09979	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1006
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59131	3.5
54.03494	4.1
54.51163	3.4
56.96571	24.5
57.03440	3.6
69.03434	7.9
69.07068	11.1
70.02950	5.7
70.06599	99.2
70.39616	6.6
70.40003	8.8
71.06913	4.4
71.95251	3.7
72.08159	46.7
73.04740	3.8
84.04507	5.8
84.08127	10.8
84.96043	6.4
85.02892	11.4
85.06535	12.4
86.09717	20.5
87.05604	4.3
88.03996	3.7
97.02892	5.1
98.06023	4.2
98.97598	100.0
110.07151	7.8
110.97595	38.4
112.99128	5.9
115.74393	3.3
116.98632	29.3
120.08128	3.5
121.06564	5.4
125.03489	8.6
127.03957	4.7
128.98622	32.5
129.10202	3.8
131.00208	3.5
135.04413	5.4
136.07570	3.4
141.10254	18.9
142.06177	4.7
143.00154	4.6
144.98141	4.2
146.99654	13.2
148.06053	4.6
149.01250	4.2
149.06100	4.6
150.05486	11.2
152.04562	7.1
158.99660	7.3
161.01204	8.9
163.03957	26.1
166.08684	5.0
167.07361	20.0
168.06584	4.0
169.09753	18.3
169.13388	12.5
170.99597	9.4
177.00697	7.2
179.00076	4.8
184.19328	3.5
187.58263	4.0
189.00648	6.3
197.12755	4.6
201.00630	6.0
208.00446	6.0
216.22157	3.3
219.01778	77.4
223.02727	9.5
224.04646	3.8
226.01442	4.6
227.06754	17.1
234.98970	4.5
235.02824	15.7
237.02821	82.2
241.03906	6.3
253.03848	13.0
255.01637	3.7
255.03905	5.2
260.02039	3.6
263.04324	8.2
268.16608	6.8
271.04843	7.0
284.12433	7.2
294.81790	4.6
294.99112	3.8
337.06052	5.3
344.18143	6.7
344.97809	3.9
355.07053	5.0
359.42130	3.2
367.07129	17.2
373.54456	3.7
385.07935	8.0
394.26300	4.0
397.07956	4.3
415.09656	45.2
415.21594	15.7
433.10052	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	414.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.0
53.58113	0.7
55.01860	2.8
57.03421	3.8
59.05002	52.2
65.72825	0.8
68.62855	0.8
68.99781	1.1
69.03431	13.1
69.53889	3.3
69.54314	2.4
70.06583	6.1
71.04993	1.2
72.08172	1.9
73.02924	2.1
73.06557	100.0
80.37103	0.8
81.03416	6.9
84.04475	1.0
84.08121	2.6
85.02909	25.0
86.09717	4.7
87.00835	12.3
91.05477	1.5
96.55603	0.8
97.02901	8.1
99.04452	3.4
105.01880	8.2
107.07325	0.9
109.02879	5.8
117.09130	14.3
120.08088	1.6
127.03930	13.0
129.01825	1.0
129.10262	1.7
129.11176	0.8
131.10675	12.9
145.04958	4.9
148.07553	1.9
148.11208	8.2
148.59645	0.9
149.11736	75.5
159.02869	3.4
166.12282	4.3
231.05011	1.6
414.17599	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.6
55.01859	3.2
55.05494	1.5
57.03428	3.7
59.05005	53.1
60.82269	0.9
61.02920	2.1
62.82365	0.9
68.99815	1.2
69.03438	8.6
70.06601	8.4
70.87479	2.2
71.04977	2.2
72.08138	2.4
73.02898	3.3
73.06561	100.0
81.03419	6.8
84.08137	3.4
85.02434	1.5
85.02911	19.5
86.09696	3.7
87.00828	10.7
97.02896	10.7
99.04436	4.9
105.01850	9.6
109.02894	7.1
111.04372	0.9
113.33533	0.9
117.01879	1.3
117.08370	1.5
117.09135	13.8
120.08134	0.9
120.87387	1.0
121.58630	0.9
127.03938	10.2
128.50320	1.0
129.01820	1.0
129.10191	1.0
131.10689	13.4
138.09125	1.1
145.04951	5.8
145.45387	0.8
149.11746	75.2
159.02896	3.3
231.04980	1.2
366.06839	1.7
405.63049	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3782
Annotation	Adiantone
Peak:m/z	Relative Intensity
50.33120	0.8
51.02342	1.0
55.01854	1.4
55.05490	3.5
55.84701	0.8
57.07061	4.3
60.35163	0.9
60.83967	0.9
65.03561	0.9
67.05492	4.0
69.07066	7.8
69.79975	3.4
69.80399	2.3
71.08622	3.8
79.05499	8.9
81.07058	16.8
83.04994	8.8
83.08597	2.8
85.10176	2.6
88.10664	1.1
91.05471	4.2
93.07062	5.2
95.04961	1.9
95.08606	12.0
97.06538	93.2
97.10152	3.7
105.07016	4.3
105.07725	1.0
107.08591	4.9
108.00824	0.9
109.06526	100.0
109.10178	6.8
111.11720	1.7
113.40672	1.0
113.85741	1.0
119.08582	2.0
121.06547	1.9
121.10096	2.3
123.08083	10.9
123.11699	3.1
133.10136	2.6
135.11693	2.2
137.09669	1.3
137.13199	1.0
143.08569	1.3
145.10101	2.5
147.11703	2.8
149.09555	1.0
149.13295	1.9
159.11731	3.8
161.13246	1.6
163.11241	2.1
163.14832	1.7
171.11853	1.1
173.13257	2.1
175.14828	1.0
177.12720	1.8
185.13373	1.5
187.14838	1.7
187.52809	0.9
191.14432	0.9
199.14737	1.0
201.16389	1.8
206.27821	1.0
213.16383	1.1
241.19620	1.6
255.21342	1.1
266.20413	0.9
395.36688	7.5
413.32553	6.1
413.37753	68.5
414.37909	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	413.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67276	0.8
55.05521	1.2
57.03419	1.2
58.53446	0.7
67.05495	2.5
69.07056	2.9
70.06586	1.8
71.48437	1.0
76.86352	0.7
79.05488	2.8
81.03403	2.8
81.07037	3.8
83.04996	0.8
83.08620	1.6
91.05480	0.8
93.07040	2.4
95.08614	4.3
97.02902	1.5
97.06564	0.8
105.07029	1.4
107.08616	2.0
108.79837	0.8
109.10160	2.4
109.80265	0.7
119.04884	0.9
119.08593	1.8
121.10179	1.4
123.08074	0.8
123.11694	1.1
125.85914	0.7
127.03881	0.9
133.10143	1.4
135.11700	0.9
145.10184	0.9
147.11763	1.2
149.09596	0.8
149.13269	0.9
151.07623	3.8
152.06241	0.9
159.11697	1.4
165.12733	0.9
191.10732	1.1
197.13087	0.8
221.98705	0.9
297.07547	1.1
312.83105	0.8
413.28745	100.0
414.29144	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.142
Annotation	t(6)a
Peak:m/z	Relative Intensity
51.94759	0.3
56.05017	0.7
58.90559	0.4
65.59496	0.4
65.84998	0.3
69.03423	0.8
69.83601	1.9
70.06599	2.4
71.06926	0.3
71.09551	0.3
72.08153	0.8
74.06067	2.1
81.03439	0.4
84.04506	0.6
84.08141	1.0
85.02900	1.2
86.09705	0.5
91.05425	0.5
97.02889	0.5
100.11241	0.8
102.05536	1.5
107.04953	0.4
116.07069	0.5
119.03551	3.6
120.06579	9.5
127.03923	0.5
136.06192	100.0
137.04591	0.9
151.03926	1.0
162.04117	63.9
163.03859	1.6
164.04286	0.7
165.04561	0.4
199.10837	0.4
211.55005	0.3
217.08298	0.4
268.10458	0.7
268.85587	0.3
281.09943	45.3
282.10208	0.5
348.39435	0.3
395.24081	0.4
413.14072	0.5
413.24710	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.2
55.01864	0.8
57.03422	0.6
61.02947	0.5
65.03947	0.5
68.99799	0.5
69.03429	3.1
70.73934	0.4
70.74250	0.4
71.05000	0.6
71.25066	0.3
73.02899	0.8
74.81593	0.2
76.31909	0.3
81.03423	3.6
85.02910	5.9
87.00833	2.5
87.04525	0.3
91.05470	3.5
92.54249	0.3
97.02893	2.7
99.04449	1.4
105.01866	1.9
107.04961	8.0
109.02872	4.4
117.01836	0.4
119.04108	0.5
119.04948	6.4
127.03920	6.4
135.04410	0.6
142.60056	0.3
145.04967	2.2
147.02829	0.5
159.02933	2.2
163.03906	100.0
164.04199	1.4
213.03946	0.8
231.04900	1.3
244.93044	0.3
390.04874	0.3
411.19800	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3623
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
51.75924	1.4
52.99904	1.3
53.03933	2.3
55.05509	8.7
56.83278	1.1
57.07084	3.5
61.47136	1.1
62.05779	1.0
64.91276	1.3
65.03912	1.2
67.05509	23.0
69.07070	16.3
70.93458	2.4
71.08604	1.7
79.05070	1.8
79.05495	17.7
81.07059	47.6
83.08623	8.7
85.06537	1.3
91.05481	11.3
93.07054	42.5
95.08614	100.0
96.08961	1.8
97.10176	5.0
99.08107	2.4
105.04537	1.5
105.07039	25.0
107.08598	70.7
109.10159	40.5
111.08110	2.1
111.11784	1.2
115.07471	1.4
119.08589	37.8
121.10152	54.9
123.08012	1.8
123.11712	16.1
125.09587	1.4
128.79947	1.5
131.08566	4.9
133.10143	21.8
135.08023	1.2
135.11702	29.5
137.13254	4.3
145.10165	9.1
147.11708	21.2
149.13275	29.1
151.07587	5.1
151.14816	2.4
159.11674	9.7
161.13261	19.0
163.11208	1.5
163.14836	57.4
164.15201	1.2
165.12781	1.7
173.13297	5.4
175.14828	19.8
177.16373	19.8
179.14359	5.1
187.14807	12.0
189.16386	29.0
191.10681	3.1
191.17952	13.2
201.16437	5.4
203.17978	25.5
205.15956	3.0
205.19543	4.5
207.17511	3.3
213.16391	1.3
215.17952	4.3
217.19482	7.2
219.17613	1.7
221.18941	1.2
227.17924	1.6
229.19547	5.0
231.21057	13.9
233.18971	3.6
241.19658	1.5
243.21184	1.9
249.40981	1.5
257.22580	1.4
297.25821	8.6
315.26962	4.8
323.27316	1.6
393.35254	8.0
411.36261	65.6
412.36765	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	410.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.4
55.01873	2.7
55.05504	2.3
57.03437	1.7
57.07065	1.6
59.65761	1.3
61.02924	1.6
67.05515	2.3
69.03431	8.5
69.07074	1.8
70.06638	7.1
71.04711	1.1
71.04997	11.6
72.08139	1.6
73.02927	2.8
81.03424	9.4
81.07060	1.9
84.08143	3.0
85.02908	21.2
86.09695	5.4
87.00819	9.2
87.08127	1.8
91.05481	2.3
93.07060	2.1
95.04976	1.2
97.02893	9.7
99.04449	5.4
104.05404	1.2
105.01873	5.8
107.08610	1.5
109.02888	6.3
109.10162	5.1
111.08128	1.2
116.45312	1.1
120.08121	2.1
121.06504	1.4
127.03945	13.4
127.11210	24.7
133.47452	1.1
137.05997	3.7
145.04996	6.2
145.12250	100.0
159.02898	3.6
161.09564	1.5
163.03908	1.7
187.03867	1.3
188.04205	1.4
224.09818	3.0
229.08623	2.1
229.24937	1.3
230.08916	5.0
231.05042	1.9
247.09708	1.4
248.10008	2.2
257.04553	1.6
258.04803	4.4
273.33551	1.6
356.34799	1.4
399.14941	1.5
410.09488	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.9
55.05506	2.0
56.62776	0.6
56.78606	0.5
57.07083	0.6
57.42770	0.5
64.28134	0.6
65.03936	1.2
67.05478	0.7
68.05045	2.9
69.03428	1.9
70.06599	1.6
71.48028	0.9
79.05500	1.0
81.07050	0.6
82.06605	1.5
83.08618	1.2
84.08156	3.0
85.06548	0.8
91.05474	1.4
93.07054	0.8
94.06574	1.4
96.04497	18.5
97.02897	2.6
100.11237	3.0
107.08591	0.7
110.06032	0.9
111.04409	0.8
112.07610	12.6
115.40569	0.6
119.08569	1.8
121.02824	0.7
121.06515	0.7
121.10130	1.4
122.06079	0.9
123.06811	2.9
131.04897	0.8
140.07074	100.0
141.07921	3.7
147.04410	2.9
147.08041	1.3
149.02357	34.2
149.03406	1.8
182.15451	2.2
184.17012	1.7
190.12334	1.1
193.04980	52.2
201.19644	0.7
203.03430	8.8
208.13371	5.5
210.14902	2.4
392.14972	0.7
410.25369	4.7
410.33804	1.7
414.42365	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3833
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
50.51340	3.9
52.62911	4.1
55.05503	14.4
55.10171	4.6
57.07069	10.3
59.07282	4.0
62.41815	3.7
67.05502	32.2
69.07076	44.6
69.18480	3.8
69.48082	14.6
69.48490	12.2
71.08607	7.8
73.47853	3.6
75.02824	4.4
79.05476	19.3
81.06606	5.9
81.07062	70.2
83.08601	17.0
86.09697	9.6
89.06026	9.2
91.05472	15.1
93.07045	46.5
95.08616	100.0
97.10145	6.8
98.21582	7.3
105.07032	22.7
107.08608	49.0
109.09493	5.3
109.10172	71.7
111.11708	5.8
119.08593	24.1
121.10153	42.8
123.11741	35.9
131.08601	6.3
131.36816	4.0
133.10158	27.7
135.11702	38.0
135.62614	4.4
137.13263	23.3
145.10106	9.0
147.11690	17.8
149.13258	43.2
151.14828	4.2
157.10155	5.0
159.11731	10.2
161.13177	21.2
163.14885	27.9
164.58638	5.3
166.90608	4.5
173.13231	10.2
175.14809	14.1
177.16382	11.5
187.14865	5.5
189.16365	20.2
191.17970	30.9
201.16414	5.0
203.17969	21.9
205.19493	9.1
206.47261	4.0
215.17992	5.1
217.19601	21.3
219.21088	6.0
229.19615	5.8
235.68092	4.0
241.19357	6.1
243.21086	6.7
245.22574	4.2
257.22617	15.1
259.24393	4.6
271.24136	6.5
409.38425	76.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3831
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
53.41732	2.0
55.05520	13.9
57.07071	13.5
67.05510	29.2
69.07071	31.4
69.37959	8.6
69.38382	7.9
71.08617	7.6
73.84979	1.8
79.05500	17.5
81.07062	74.3
83.08624	14.6
85.10204	2.8
91.05498	11.9
93.07054	40.9
95.08613	100.0
97.10166	9.6
101.92222	2.2
104.97694	2.0
105.07041	24.2
107.07882	4.1
107.08597	60.8
109.10164	79.9
111.11699	5.9
117.07032	2.7
119.08588	28.0
121.09331	3.9
121.10154	51.5
123.11708	36.2
131.08560	4.9
133.10181	15.8
135.11703	35.9
137.13260	19.8
143.08556	2.4
145.10132	9.5
147.11668	23.4
149.13263	43.2
151.07544	3.1
151.14804	2.6
159.11700	7.6
161.13277	26.7
163.14822	32.3
171.11667	3.0
173.13301	5.1
175.14868	9.3
177.16405	6.8
187.14819	7.5
189.16414	13.5
191.17979	49.3
193.19574	2.9
201.16374	5.2
203.17929	16.4
205.19540	10.7
215.18034	3.9
217.17470	3.4
217.19518	29.8
219.21075	11.1
229.19450	5.2
231.21153	2.9
243.20963	3.0
257.22534	4.5
259.24243	2.1
271.24146	4.4
285.25891	3.1
309.30280	2.2
317.93912	2.2
409.38330	64.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3832
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
53.03951	1.4
55.05512	6.2
57.07087	7.5
60.32767	1.1
65.03942	1.5
67.05513	22.5
69.07073	12.5
71.08651	3.2
71.26603	1.9
74.98803	1.1
75.64701	1.3
79.05498	9.7
81.07065	74.9
83.08614	5.5
85.97301	1.4
91.05485	3.8
93.07058	16.5
95.08617	100.0
97.10166	3.2
102.98759	1.4
105.07041	11.4
107.08598	22.1
109.10171	30.6
111.11777	2.1
113.13563	1.3
119.08603	11.8
121.10161	17.0
123.11728	22.0
131.08572	3.0
133.10136	9.2
135.11707	14.2
137.13268	52.9
145.10139	4.9
147.11737	9.5
149.13281	11.8
150.34364	1.3
151.02011	1.3
151.14832	3.1
153.18866	1.2
159.11728	4.8
161.13283	6.3
162.34277	1.3
163.14798	7.9
173.13341	3.2
175.14813	4.8
177.16386	4.9
179.18019	1.7
184.78864	1.4
187.14859	2.7
189.16362	3.6
191.17932	3.4
201.16393	2.0
203.17986	4.3
205.19566	1.9
207.97728	1.4
215.17995	7.8
217.19534	5.2
229.19518	4.5
231.21106	2.7
257.22607	4.3
259.24219	6.4
271.24231	5.5
273.25696	1.5
285.25995	1.9
362.76791	1.7
409.38361	21.5
410.38260	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3832
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
53.03958	1.8
53.43661	1.4
55.05513	13.6
57.07085	9.5
65.03931	2.3
66.64807	1.3
67.05511	27.3
69.07071	31.7
70.79401	3.9
71.08641	3.1
71.42034	1.3
74.66821	1.7
75.03033	1.3
79.05492	14.6
79.05838	1.2
81.07062	65.7
83.08627	17.0
85.06564	1.8
85.10210	1.6
86.52940	1.3
91.05474	10.7
93.07047	36.0
95.08616	100.0
97.10187	9.6
105.07043	23.5
107.08601	59.4
109.10164	79.3
111.11684	6.6
117.07018	1.9
119.08592	25.5
119.09354	1.8
121.10151	47.9
123.08173	1.6
123.11723	37.4
123.12591	2.2
125.13330	2.7
131.08618	4.7
133.10146	20.9
133.11084	1.5
135.11702	38.2
137.13280	23.5
137.14249	1.7
145.10127	7.6
147.11710	23.8
149.13264	40.4
151.14879	5.2
157.10214	1.6
159.11705	12.3
161.13274	22.9
163.14842	30.3
171.11678	1.5
173.13359	5.9
175.14830	11.7
177.16441	10.7
187.14879	7.1
189.16431	16.5
191.17957	46.0
193.19606	1.6
201.16481	4.6
203.17966	18.2
205.19577	11.7
215.18045	5.4
217.19501	31.7
219.21094	11.5
229.19638	5.4
231.21219	5.7
243.21265	5.0
245.22800	2.8
247.24263	1.5
255.21120	1.6
257.22662	7.1
259.24374	4.2
271.24173	9.5
285.25983	1.7
299.27438	4.2
311.27338	1.9
353.32080	2.2
367.34280	1.5
409.38602	64.9
410.38940	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23216	1.0
53.03940	1.7
55.05515	10.9
57.07070	2.9
65.89283	0.9
67.05510	18.7
69.07068	20.5
69.40981	8.0
71.08634	0.9
79.05495	17.1
81.07060	33.6
83.04980	1.4
83.08618	9.3
91.05482	14.3
93.07046	38.4
95.04999	2.3
95.08610	71.9
97.10186	2.8
105.07035	35.4
107.04955	1.4
107.08599	65.7
109.06509	1.7
109.10164	33.2
111.11733	1.6
117.07030	4.4
119.08582	35.4
121.06501	1.6
121.10149	48.2
122.10515	1.3
123.08104	1.7
123.11725	11.1
131.08586	6.7
133.10132	32.2
133.11108	2.1
135.08034	5.4
135.11700	19.5
137.09598	1.4
137.13243	3.0
143.08571	2.6
143.20638	1.0
144.09357	1.2
145.10121	16.5
147.08044	1.3
147.11696	26.7
149.09619	1.3
149.13269	42.0
155.08516	1.1
157.10065	2.4
158.10931	3.0
159.11723	11.1
161.09599	1.7
161.13261	14.0
163.11185	17.1
163.14825	27.7
163.16138	1.9
171.11694	1.7
172.12515	1.8
173.13290	6.0
175.11232	2.5
175.14813	25.2
177.12863	5.7
177.16396	39.9
184.12663	1.0
185.13255	1.3
187.14819	19.7
189.12886	1.6
189.16397	20.3
191.17955	12.1
199.14760	2.0
201.16414	8.3
203.17961	100.0
204.18259	1.8
205.15878	56.6
205.19298	4.8
213.16383	2.4
215.18044	3.3
217.16022	1.0
217.19522	2.9
219.17442	6.1
219.79926	1.2
231.17508	5.6
231.21069	1.4
241.19609	1.3
243.20937	1.7
245.19078	1.8
255.21085	2.2
259.20569	1.5
271.20673	1.3
335.27344	1.5
381.35178	3.2
389.95432	1.0
391.33691	8.5
409.34686	67.2
410.35065	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	409.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.1
55.05511	14.9
57.07071	4.8
57.23661	2.5
59.04992	3.0
67.05498	17.3
69.03442	9.5
69.07079	6.5
69.75994	2.6
71.04997	2.9
71.48071	3.0
72.08162	11.7
72.42985	2.8
79.05502	28.1
80.78355	2.7
81.03432	3.5
81.07053	36.0
83.05003	4.0
83.08629	5.2
84.08177	5.8
85.06558	4.0
86.34647	2.7
91.05478	31.8
93.07045	37.5
95.04970	40.8
95.08611	25.2
97.06546	9.7
103.05489	5.0
105.07038	100.0
107.05009	3.9
107.08592	26.6
109.06522	9.5
109.10178	10.3
111.08056	2.8
115.05464	3.6
117.07046	11.0
119.08591	60.7
121.06529	10.8
121.10158	19.9
123.08086	11.5
129.07042	10.7
130.07854	5.8
131.04938	10.0
131.08577	27.0
133.06577	3.6
133.10130	17.6
135.08089	11.6
135.11703	4.8
137.09625	5.9
141.06989	3.5
142.07803	10.6
143.08621	13.7
145.10129	35.3
147.08063	11.5
147.11690	42.3
149.08368	3.9
149.09648	12.3
151.03815	3.0
151.07555	14.5
155.08597	8.0
156.09332	6.5
157.10114	19.2
159.08096	4.7
159.11719	12.8
161.09622	6.6
163.11237	4.4
165.09058	17.2
167.08568	4.6
168.09341	4.1
169.10158	9.5
171.11754	6.9
173.09657	7.0
173.13266	5.4
175.11220	27.3
177.09148	4.3
178.09938	3.7
181.10194	4.9
183.11737	12.7
185.13179	3.7
187.11227	4.9
189.12845	5.2
191.14426	3.9
193.10196	5.9
195.11597	4.2
197.13303	3.6
199.14833	4.6
200.43150	3.6
201.12823	7.4
203.14389	10.5
207.13797	4.6
209.13377	2.9
209.15341	4.9
211.14825	3.6
215.10965	3.7
215.14229	3.0
219.11850	3.2
219.13896	6.6
221.13344	5.2
221.15341	36.0
223.14975	3.0
231.13945	3.0
234.16124	14.5
253.15912	3.8
257.04257	3.3
281.19049	3.6
282.19937	3.3
287.20044	5.8
292.03345	2.6
295.06070	11.9
300.20779	5.4
341.80887	3.1
353.10187	38.0
354.10608	2.8
391.26224	7.5
409.09006	4.9
409.16632	3.4
409.27438	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2739
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
53.03956	4.0
55.01870	2.0
55.05518	17.2
55.41023	2.0
56.74084	2.1
56.83953	1.7
57.07078	7.2
57.95201	1.6
59.05001	6.1
65.03944	4.1
65.39540	1.9
67.05509	20.6
69.03423	9.5
69.07067	6.6
69.29079	9.1
69.29503	6.6
79.05499	26.8
81.03392	2.2
81.07062	36.7
83.04993	5.1
83.08617	2.5
85.06561	3.7
91.05488	38.4
91.06030	3.8
93.07051	43.0
95.04977	43.6
95.08620	33.3
97.06521	11.7
98.21554	3.6
103.05464	3.7
105.07043	100.0
106.07326	2.7
107.08607	32.0
109.06534	12.9
109.10165	11.1
111.08104	5.6
115.05461	2.9
117.07020	14.1
119.04933	3.4
119.08591	64.5
121.06518	22.2
121.10154	16.7
123.08087	22.6
123.11729	3.9
128.06227	5.8
129.07048	8.6
130.07808	3.2
131.08556	22.2
133.06517	4.5
133.10161	21.2
135.08052	15.8
135.11691	5.8
137.05975	2.8
137.09633	10.8
141.07040	3.1
142.07819	12.3
143.08571	15.9
144.09360	4.5
145.06540	3.3
145.10144	41.1
147.08046	19.5
147.11707	33.4
149.09630	10.9
149.13286	2.6
151.07541	22.1
153.06978	2.8
153.09203	2.0
155.08568	7.6
156.09317	5.6
157.10172	20.4
158.11061	2.0
159.08066	6.8
159.11719	16.9
161.09621	10.2
161.13280	7.2
163.11241	6.5
165.09140	35.5
167.08615	5.0
168.09378	4.9
169.10139	11.0
170.10880	2.6
171.11746	10.4
173.09633	4.6
173.13254	7.8
174.10394	2.3
175.11211	26.0
175.14842	2.9
177.12733	1.8
178.09914	2.6
179.08702	2.0
181.10132	7.5
181.12222	2.8
183.11664	13.9
185.09650	2.0
185.13298	5.8
187.11237	6.0
187.14806	2.9
189.12744	7.9
191.14288	3.1
193.10132	3.6
195.11768	4.9
196.12523	2.7
197.13300	3.8
199.11177	4.3
201.12819	8.7
201.16446	3.6
203.14311	14.1
207.13812	9.9
209.13321	4.7
209.15263	2.3
211.14845	5.9
213.12743	2.4
215.14355	3.9
217.19505	1.8
219.13847	1.9
221.13405	2.8
221.15379	69.6
223.14859	3.1
227.18053	2.7
229.15883	6.9
231.13785	2.5
233.15398	3.9
234.16127	18.9
241.15974	2.3
247.17094	2.7
253.15919	3.2
269.19000	2.3
286.19250	4.9
287.20029	9.7
299.20099	2.0
300.20895	6.1
319.96619	1.9
329.21164	6.1
353.84860	1.9
373.02975	1.9
391.26526	5.0
409.21783	2.9
409.27383	50.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.9
55.05506	18.8
57.07058	4.4
65.17338	3.1
67.05511	18.5
69.03422	10.7
69.07068	6.7
70.00668	4.9
70.01019	15.2
79.05496	16.8
81.07050	31.2
83.04961	6.5
85.69541	3.5
91.05490	40.4
93.07049	51.5
95.04974	41.9
95.08600	35.7
97.06577	6.4
98.20837	3.8
105.07032	100.0
107.08583	28.6
109.06523	12.2
109.10173	7.4
111.08064	3.8
115.05518	3.3
117.07040	10.4
119.08594	58.7
121.06501	16.6
121.10172	10.4
123.08115	19.1
128.06184	5.4
129.07011	9.2
130.07796	3.3
131.08582	24.0
133.06473	5.5
133.10143	16.9
135.08037	13.4
135.11752	3.2
137.09657	4.2
141.06993	4.9
142.07784	12.4
143.08583	12.4
144.09291	4.5
145.10130	46.4
145.11206	5.4
147.08086	21.5
147.11699	32.7
149.09651	8.8
151.07538	19.2
153.09113	5.8
155.08585	8.2
156.09373	6.6
157.10138	30.7
159.08090	8.5
159.11702	17.9
161.09666	7.4
161.13239	5.2
163.11119	4.3
165.09128	35.9
168.09460	3.9
169.10139	14.6
171.11691	11.8
173.09666	6.6
173.13232	7.1
175.11177	24.3
177.09158	3.4
181.10139	6.7
182.10713	4.1
183.11737	11.7
183.58437	3.4
185.13293	7.5
187.11195	6.2
189.12761	7.6
193.10089	4.8
195.11681	4.5
197.13254	6.6
201.12811	6.1
201.16539	3.8
203.14311	11.6
207.13797	8.8
209.15315	4.5
211.14954	7.1
213.12892	3.8
219.13838	4.5
221.15384	63.4
221.17395	5.9
223.14980	5.3
229.15945	8.2
233.15407	5.1
234.16092	15.1
241.45609	3.3
287.20074	10.1
300.20752	3.5
355.95822	3.3
391.26526	6.4
409.27390	61.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.3
55.05518	19.7
57.07066	5.5
64.58560	2.3
65.76421	1.9
67.05510	15.7
69.03423	7.3
69.07064	7.0
70.08096	7.6
70.08447	3.1
73.03527	1.9
77.03928	2.8
77.58167	1.8
78.27795	1.7
79.05493	21.0
81.07059	24.9
82.37788	1.7
83.04973	4.0
85.06544	4.7
86.46499	2.1
88.88952	2.0
91.05492	31.1
93.06504	2.0
93.07058	35.5
95.04375	3.5
95.04983	51.4
95.08611	22.7
97.06531	6.6
105.07034	100.0
107.08602	24.3
109.06528	11.2
109.10162	7.4
115.05440	2.8
116.06274	2.5
117.07028	12.5
119.08591	66.5
121.06509	14.9
121.10128	12.0
123.08063	17.8
128.06241	5.9
129.07002	7.2
130.07790	4.9
131.08603	21.3
131.98824	1.9
133.06488	4.9
133.10138	16.4
135.08076	11.4
135.11700	4.2
137.05980	3.1
137.09608	8.2
141.06918	2.6
142.07755	10.0
143.08595	13.7
144.09326	3.1
145.06451	3.2
145.10120	32.7
147.08057	19.6
147.11699	43.8
149.09650	14.5
151.07541	18.1
155.08554	7.5
156.09331	5.0
157.10158	16.3
159.08022	4.7
159.11708	11.8
160.08873	2.6
161.09637	5.5
161.13272	2.4
163.11142	3.0
165.09120	31.5
167.08498	2.7
168.09267	3.9
169.10101	9.4
171.11713	9.5
173.09634	5.9
173.13284	6.5
175.11223	29.2
175.14775	2.0
177.09163	3.9
178.09790	2.7
181.10179	4.5
181.12335	1.9
183.11716	10.2
185.13344	3.8
187.11197	4.8
189.12737	4.8
191.14380	2.1
195.11760	3.3
197.13298	4.5
199.11241	2.4
201.12852	10.3
203.14333	14.5
207.11919	2.9
207.13843	9.1
209.13295	3.4
209.15266	2.4
211.14853	4.0
215.14304	2.2
219.13821	6.8
221.15384	62.3
229.15881	5.3
231.13811	3.4
233.15382	4.9
234.16179	19.7
235.14679	2.0
269.19089	2.5
275.25076	2.3
286.19360	2.9
287.19946	9.6
300.20813	5.3
329.21130	5.5
391.26251	2.5
409.27374	40.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21757	1.5
53.03935	4.7
55.05513	19.6
57.07067	6.4
59.05001	3.0
65.03937	2.1
65.98522	1.5
67.05506	16.6
69.03431	7.5
69.07077	8.1
70.93063	3.1
79.05499	20.6
81.03407	1.6
81.06606	1.6
81.07066	28.4
83.04980	5.1
83.08633	3.0
85.06531	2.1
91.05483	42.2
93.06494	2.4
93.07050	40.8
95.04978	46.6
95.08614	25.1
97.06514	5.0
103.05470	3.2
105.07035	100.0
107.08598	21.0
109.06536	8.3
109.10153	6.2
115.05453	2.2
117.07035	12.8
119.04961	2.1
119.08591	62.3
120.09319	2.6
121.06503	15.5
121.10136	13.9
123.08086	15.8
123.11682	1.8
128.06210	4.7
129.06985	6.2
130.07779	3.2
131.08571	23.7
133.06468	4.7
133.10161	14.8
135.08087	10.1
135.11661	2.9
137.05865	1.8
137.09641	7.5
141.06964	2.1
142.07809	12.6
143.08588	12.5
145.06528	2.0
145.10129	33.2
146.10904	2.8
147.08058	19.0
147.11700	40.9
149.09634	14.5
151.07526	18.0
153.06902	2.0
153.09120	2.5
155.08575	7.1
156.09335	4.7
157.10129	14.6
158.10799	1.6
159.08051	5.1
159.11716	10.7
161.09576	8.4
161.13249	4.3
163.11172	5.2
165.09106	28.9
167.08595	3.0
169.10109	12.0
170.10890	2.7
171.11728	7.9
173.09648	4.1
173.13251	6.9
174.10481	1.7
175.11185	28.8
175.14761	1.8
177.09108	5.3
178.10033	1.7
179.08516	2.1
181.10126	3.3
181.12227	2.2
183.11659	10.2
185.13309	4.3
187.11169	3.0
187.14853	3.6
189.12750	5.6
193.10133	3.5
195.11624	2.7
197.13249	3.4
199.11252	2.6
199.14810	3.2
201.12755	9.8
203.14313	16.1
206.10867	1.9
207.11945	1.8
207.13695	7.3
209.13301	2.1
209.15280	2.4
211.11293	1.8
211.14761	4.5
216.15106	1.8
219.13770	4.7
221.15373	62.9
223.14842	2.7
225.12799	1.6
225.16460	1.9
227.14288	1.7
229.15860	5.4
231.13844	2.7
233.13232	2.3
233.15416	3.2
234.16185	14.5
255.13914	1.9
283.24600	1.7
286.19284	1.9
287.20111	7.0
300.20663	4.6
329.21045	5.5
391.26172	4.3
409.27371	36.1
410.27081	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.2
55.01874	2.5
55.05518	17.0
57.07065	6.4
59.04999	4.6
65.03935	2.9
67.05506	23.0
69.03426	10.5
69.07062	7.4
78.39423	1.7
79.05496	21.9
81.03407	2.3
81.07055	31.9
83.05000	5.5
83.08635	3.4
85.06549	3.9
91.05484	40.1
93.07046	49.7
95.04976	53.3
95.08611	24.0
97.06526	7.1
98.20702	4.1
103.05478	3.6
105.04565	1.6
105.07034	100.0
105.32761	2.4
107.04932	3.0
107.08610	27.0
109.06525	10.5
109.10145	9.8
111.08114	3.4
115.05457	4.1
117.07040	16.0
119.04921	2.4
119.08584	66.2
121.06523	22.7
121.10152	13.7
123.08077	15.5
128.06252	5.2
129.06996	9.5
130.07768	5.3
131.08580	23.5
133.06499	5.7
133.10158	17.1
135.08046	15.5
135.11688	5.1
137.09650	9.9
139.40018	1.8
141.07028	6.1
142.07750	13.8
143.08559	18.2
144.09389	2.7
145.06407	3.6
145.10126	29.5
146.10921	2.1
147.08058	21.1
147.11696	34.8
149.04028	1.9
149.09633	12.0
150.10448	1.9
151.07553	21.5
153.07021	4.0
153.09081	2.9
155.08557	6.7
156.09325	3.6
157.10126	23.6
159.08055	5.0
159.11687	15.3
161.09622	7.8
161.13307	6.2
163.11240	2.5
165.06998	2.7
165.09123	31.0
168.09378	6.1
169.10120	9.2
170.10855	3.7
171.11710	10.0
173.09633	6.2
173.13290	6.2
174.10480	2.0
175.11174	20.9
177.09114	2.8
179.08707	2.8
181.10120	5.0
182.11024	2.5
183.11690	11.2
185.13272	7.0
187.11215	4.5
187.14786	3.7
189.12750	7.0
193.10213	2.5
195.11720	3.6
196.12593	2.4
197.13283	3.8
199.11189	5.3
199.14833	3.3
201.12761	7.9
201.16505	2.8
203.14270	15.8
207.12015	2.9
207.13869	7.9
209.13329	4.1
210.52565	2.3
211.14821	6.2
213.12709	3.4
215.14297	2.6
219.13870	4.3
221.13365	3.4
221.15358	58.3
227.14368	2.7
227.32487	1.9
229.15828	6.1
231.13881	3.9
233.15483	3.3
234.16138	15.4
253.15887	2.9
286.19437	4.4
287.20038	6.3
300.20804	6.0
329.21082	6.2
377.51730	2.0
391.26379	2.9
409.27347	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	409.1493
Annotation	Praeroside IV
Peak:m/z	Relative Intensity
50.45333	0.9
50.48967	1.0
53.03959	1.1
55.05505	1.0
66.16767	1.0
69.03435	1.6
69.78947	1.7
69.79340	3.8
70.06592	2.0
81.03405	1.7
82.37923	0.9
84.08128	1.1
85.02903	5.3
86.09679	1.8
91.05458	2.2
93.07060	1.1
94.19314	1.1
97.02895	2.1
97.27959	1.0
105.06977	1.2
109.02935	1.3
115.05477	2.9
123.11837	0.9
127.03905	2.2
131.04010	0.9
131.04897	5.3
143.04912	2.9
145.10159	1.9
147.04436	2.5
159.04413	8.3
163.03891	1.7
173.09590	1.1
175.03911	15.4
176.04697	3.8
176.71487	1.0
187.03902	31.6
187.07603	2.2
201.09093	1.7
211.07536	2.3
213.05510	3.1
214.06168	2.1
229.08620	38.6
230.09077	1.0
247.09665	100.0
248.10185	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1495
Annotation	Phellodenol G
Peak:m/z	Relative Intensity
61.99020	1.8
67.05498	3.2
67.91232	1.8
69.93149	9.6
70.06570	4.3
73.55389	1.8
81.03390	3.3
81.07047	2.1
85.02897	5.4
85.06536	2.6
91.05460	2.6
93.66273	1.8
105.07029	4.3
109.98673	2.0
115.05413	2.7
117.06991	2.3
119.08553	2.5
120.08110	2.0
121.10098	2.0
121.13307	2.1
131.04955	4.8
143.08510	2.4
145.06458	2.3
145.10161	3.7
147.04442	4.0
155.08508	3.9
159.04456	3.1
161.09659	2.8
173.05870	3.2
175.03894	5.0
186.06735	2.6
187.03912	9.0
187.07483	2.5
197.05927	2.0
201.05508	5.2
201.09137	4.3
211.07578	4.4
213.05479	10.9
214.06241	11.1
229.04958	5.6
229.08609	100.0
230.08798	2.5
245.04607	3.2
247.09639	40.4
257.04483	34.1
298.84171	2.1
338.42447	2.0
362.00574	2.2
409.09299	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	409.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	10.3
55.05510	1.2
56.05025	1.6
57.03432	1.0
58.06594	1.5
60.04509	1.2
65.03938	2.7
67.05489	1.7
68.99789	2.6
69.03413	3.2
69.07048	1.1
70.06597	6.8
71.10938	1.3
71.11288	1.4
72.08150	6.2
73.02891	1.0
79.05479	3.6
81.03408	4.4
81.07040	1.2
82.82857	0.9
83.01347	1.5
83.04962	1.0
84.04499	5.2
84.08125	3.8
85.02881	3.8
86.09695	5.3
91.05493	5.2
93.03422	2.1
93.07037	2.3
95.01342	7.2
95.04964	2.2
97.02889	1.9
97.06520	1.0
98.06053	1.1
100.11257	6.5
103.05453	2.9
105.07049	5.6
107.01363	1.2
107.04948	7.6
109.02847	2.9
109.10216	1.3
111.00778	1.5
111.04424	1.6
113.02393	1.3
115.05457	14.2
119.04951	8.8
119.08612	1.2
120.08101	3.5
121.02873	39.5
121.06522	3.1
125.02335	1.9
125.09637	4.0
126.05470	1.1
128.06140	1.0
129.10248	2.1
130.06543	13.6
131.04932	23.8
132.04459	10.1
133.02826	1.2
133.06516	5.9
135.04413	5.4
137.05968	2.2
143.04918	11.5
143.08562	1.1
145.02867	6.5
145.03821	1.2
145.10233	1.0
146.05980	5.3
147.00557	2.4
147.04407	5.0
149.05971	1.9
151.03859	1.2
155.06029	1.4
157.06387	1.1
157.07620	22.8
158.05988	7.7
159.04396	12.0
159.05562	2.6
160.07550	1.2
161.02370	2.7
161.05984	6.7
161.09552	1.2
163.03911	21.0
165.01717	1.7
169.04982	0.9
169.07634	2.9
170.06111	1.0
171.04388	2.6
173.05872	1.1
173.07155	2.0
174.05418	1.6
175.03920	3.7
175.08698	4.3
176.01028	2.0
177.01825	5.3
178.04967	1.0
179.03421	4.9
179.10556	1.2
185.07140	15.5
187.03912	52.7
188.04361	1.9
189.01842	7.5
189.05431	3.9
189.08939	1.6
190.02679	1.3
191.03372	3.1
195.02884	4.8
197.07205	1.2
199.03897	3.1
200.18275	1.0
201.06721	1.9
201.09192	1.7
202.02577	1.7
202.07445	2.5
203.03404	10.5
203.08174	10.4
203.10687	2.6
205.05002	12.0
205.06839	1.5
205.07582	1.1
207.02913	6.5
211.08899	1.0
211.17033	1.3
213.05275	1.3
214.06248	1.6
215.04532	2.8
215.08231	1.1
217.04929	9.0
219.02928	1.9
221.04454	2.8
223.08670	5.8
225.06796	1.1
227.03392	2.8
229.06358	1.6
229.08519	12.1
231.02856	2.5
231.07982	1.6
231.10150	2.9
233.04419	1.0
234.59370	0.9
235.05975	1.6
241.06107	8.2
241.09677	1.1
243.07858	1.2
245.04332	4.9
247.07379	1.6
247.09641	4.8
251.08200	2.7
253.05963	3.7
255.02899	2.1
257.09311	1.3
259.07217	5.1
267.06781	3.3
268.07278	5.2
271.07156	9.5
273.03879	2.6
273.08646	1.3
277.08655	1.4
279.06839	2.8
280.07227	1.7
281.08185	1.5
283.06085	3.8
285.05072	1.1
285.08615	3.9
287.06668	15.9
289.08414	2.1
291.06534	1.9
292.07272	3.9
293.08179	3.6
294.05234	7.7
295.06015	34.0
296.06708	7.0
297.07568	7.3
299.06671	4.3
303.06509	2.2
303.09750	6.6
305.08109	4.4
306.08710	2.7
307.06094	23.7
307.09595	3.7
308.06659	3.8
309.07477	9.0
313.07764	3.5
317.07846	3.5
318.08792	1.4
319.06018	5.2
320.06818	10.7
321.07571	20.8
323.06079	3.2
325.07068	63.2
326.07434	4.1
329.08087	2.9
331.05859	1.8
331.09262	20.3
333.07483	8.5
334.08389	7.5
335.05191	2.1
335.09140	29.2
336.06293	1.2
336.09885	1.4
337.07040	19.1
339.08710	6.8
341.07678	2.1
345.07458	10.6
346.07590	1.0
347.09073	1.6
347.23050	4.7
348.06158	1.5
349.07010	18.5
349.10355	1.2
350.07336	1.8
351.08679	3.6
353.10410	1.2
359.08737	24.9
362.08008	1.3
363.08609	42.7
364.08929	2.5
365.24197	1.6
367.08148	2.7
373.07028	9.6
377.09808	32.2
379.08005	4.4
381.09579	1.0
391.08118	100.0
392.08453	3.7
409.09192	96.2
409.18073	3.4
409.23260	3.5
410.09476	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	409.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	4.5
55.05501	5.1
61.46185	4.1
61.73740	4.0
67.05486	11.4
69.07035	5.4
69.59968	30.0
70.06593	10.0
72.08155	4.8
79.05482	9.5
81.07043	18.5
84.08128	10.1
86.09697	8.6
91.05473	11.2
93.07047	14.4
95.04974	4.9
95.08606	11.3
96.79689	4.3
98.21494	9.5
105.07006	13.3
107.08591	12.0
108.27562	4.4
109.10101	5.5
115.05439	6.3
119.08585	6.3
119.79571	4.9
120.08100	4.8
121.10181	5.4
125.09618	8.0
131.04898	26.8
131.08548	5.4
133.02887	5.0
133.10107	6.2
135.04457	4.6
135.11732	4.4
142.29770	4.0
147.04402	13.9
151.03940	5.0
155.04892	5.9
159.04425	18.0
161.02312	13.8
163.03970	8.8
171.04402	7.3
187.03918	17.4
191.03455	7.5
195.04562	5.7
202.07843	8.7
211.03929	16.2
213.67207	4.6
215.03419	6.2
215.08646	8.7
229.04942	12.1
243.07965	8.2
245.09682	5.4
247.07472	7.1
247.09677	11.4
255.07999	8.1
257.04407	26.2
263.07053	6.4
271.07397	13.9
275.78519	5.0
287.05533	7.5
289.08246	4.8
293.07993	17.9
299.07001	7.7
301.05045	7.2
301.08307	5.1
302.05612	5.2
317.08203	11.4
327.06549	19.9
345.07596	100.0
373.06973	11.7
391.07776	5.7
409.09235	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	409.092
Annotation	Unknow
Peak:m/z	Relative Intensity
69.21973	1.1
69.22381	5.7
71.50230	0.8
72.08168	0.7
74.62550	0.6
77.03928	0.7
91.05482	0.7
98.21590	1.1
103.05469	2.1
105.07046	5.1
107.04952	11.8
115.05465	26.6
131.04933	37.7
133.04045	0.6
133.06494	7.3
135.04407	7.0
143.04936	18.7
143.05966	0.8
143.42038	0.8
145.04039	1.1
147.04425	3.7
159.04424	23.2
159.74756	0.6
161.05975	6.8
163.03917	36.6
183.81570	0.7
185.05936	0.8
187.03917	100.0
188.04259	2.5
189.01695	1.0
199.03815	0.7
205.04980	23.0
215.03384	1.3
216.53964	0.9
219.87587	0.7
222.76772	0.7
226.11139	0.7
271.07361	0.8
275.07047	1.0
294.05292	0.9
295.05777	0.8
307.05997	2.0
321.07532	1.0
325.07059	2.9
331.05942	2.2
345.07651	0.9
367.08194	1.1
373.07089	1.7
391.08167	8.0
409.09189	7.8
409.18079	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06588	1.5
70.44507	1.5
72.08143	2.3
73.04264	0.5
79.05483	1.4
84.04559	0.6
84.08144	0.8
86.09693	1.8
89.03953	0.5
91.05501	1.1
95.04960	1.5
98.97595	0.8
103.05459	1.9
105.03417	1.1
105.07037	4.6
107.04964	11.0
110.10629	0.5
115.05463	26.2
120.08104	1.5
124.03896	0.6
131.04938	39.9
133.06502	6.4
135.04425	7.0
136.07584	0.6
143.04935	19.4
145.03989	1.5
147.04430	3.9
159.04431	24.6
161.05981	6.4
163.03918	39.0
171.04414	0.6
175.03918	0.9
187.03912	100.0
188.04257	1.9
201.16455	0.5
205.04973	25.7
215.03383	1.4
215.08249	1.5
229.06314	0.8
233.04454	0.6
239.07976	0.5
243.07759	1.4
247.07588	0.8
257.04398	1.3
257.09186	0.9
261.08847	1.0
267.07770	0.8
271.07187	1.6
273.08679	0.7
285.08655	3.3
289.08197	3.2
295.06607	0.7
297.08838	0.6
303.06525	0.9
303.09869	1.6
307.09171	0.8
313.08173	5.3
315.09824	2.0
321.00424	0.5
325.07187	0.8
327.06461	0.6
331.05881	1.4
331.09311	7.1
333.10815	1.5
345.07428	1.0
349.06754	0.9
349.10339	6.5
359.08749	1.3
367.07791	0.7
367.11835	1.0
373.07016	2.5
377.09833	2.4
391.07712	6.7
391.12607	0.7
409.09189	4.0
409.18106	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	7.2
59.61171	1.5
61.66225	1.8
62.08662	2.0
65.49442	1.7
69.03416	3.7
70.06577	5.4
70.98129	2.9
70.99847	3.7
71.47488	2.5
72.12858	1.7
77.00907	3.4
82.99861	8.0
84.04499	2.0
84.08143	9.3
85.02903	5.3
89.03922	8.2
91.05500	2.0
96.22842	2.0
97.02881	2.9
98.97574	11.3
101.00891	43.5
101.06136	1.7
107.04954	4.2
110.97550	2.5
112.92124	1.6
113.00890	16.2
115.02423	22.7
116.98559	2.1
117.03387	7.2
119.01931	41.2
120.08014	1.8
125.00918	2.7
127.02412	9.7
128.98605	3.1
129.03998	3.3
131.01913	27.0
133.03490	29.1
135.04410	10.1
136.07570	3.0
139.02385	6.0
143.00214	2.6
143.01918	51.5
145.01796	2.3
145.03638	17.9
147.01443	3.8
147.05191	2.0
149.02849	2.4
151.04526	3.2
155.01912	25.9
157.03473	17.9
158.99741	1.9
159.01320	3.9
161.02960	41.9
163.02562	3.5
163.03914	63.4
164.04251	4.2
167.01872	3.3
168.99843	17.8
169.03343	4.1
171.01393	18.0
172.97627	2.7
173.02974	31.6
175.00925	2.7
175.04457	4.4
180.99754	3.3
183.01372	6.0
185.01422	3.0
185.02963	20.1
185.06560	2.2
187.00919	14.5
187.04128	5.9
189.02431	14.5
190.98619	2.6
191.02176	1.8
191.03877	4.4
192.99939	2.8
195.01430	5.0
196.99167	2.8
197.00858	2.9
197.02962	13.3
199.00879	26.5
199.04527	2.6
200.51050	1.9
201.02441	15.5
203.02237	3.1
203.04016	16.0
203.07637	2.8
205.00206	2.1
209.03001	5.3
211.00800	2.8
212.52795	1.9
213.02460	8.4
215.00429	11.3
215.03946	5.3
217.01958	29.4
219.01669	3.7
219.03558	9.9
220.91600	1.8
221.02965	26.2
221.05107	27.1
223.02956	2.0
229.02005	12.6
231.03497	10.0
232.98253	2.5
237.02647	3.6
239.04007	6.9
239.06142	17.7
241.01892	6.2
243.03302	3.1
245.05034	4.9
246.01257	2.1
247.02873	13.2
249.04517	2.0
253.01894	4.4
255.01755	2.4
256.98315	3.2
257.05109	5.7
259.03021	7.9
259.06659	2.3
263.03708	2.9
263.06311	15.1
268.07150	2.0
271.03073	4.6
275.02444	14.2
275.05661	1.8
277.03766	2.3
279.03918	3.5
281.05246	8.7
289.04056	100.0
290.04425	5.6
293.04611	2.3
293.07697	2.0
293.10800	5.9
301.04062	31.7
307.05127	76.0
311.06082	5.7
316.02533	2.1
317.03680	2.5
319.05240	19.9
330.06613	2.5
333.06573	4.4
337.03894	2.3
349.06430	5.8
355.05032	2.4
361.06015	10.0
377.05649	17.0
378.05484	2.8
409.08356	4.1
427.07147	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	408.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	15.1
55.01867	16.0
55.05503	27.0
66.61639	10.9
67.05492	36.6
69.03413	29.1
69.07062	12.0
69.30727	33.5
69.31158	45.3
70.06592	11.4
70.47026	9.6
78.04692	19.9
79.05479	35.7
80.06851	9.1
81.07048	49.3
82.04184	18.6
83.04956	30.3
83.08601	16.5
91.05496	86.3
93.07047	89.6
93.80372	9.9
95.04964	96.9
95.08601	39.0
96.00683	9.9
97.06499	23.2
103.05448	13.6
105.07025	100.0
106.07851	14.8
107.08593	78.0
109.06504	36.7
109.10151	32.2
115.05452	15.3
117.07017	65.0
119.08575	58.7
121.06491	37.5
121.10177	59.3
125.09622	29.4
126.26078	10.0
128.06212	17.4
129.07001	38.5
130.07822	10.9
131.08540	79.6
133.06447	22.2
133.10120	37.8
135.08058	24.7
141.06949	18.9
142.07802	24.4
143.08597	47.1
144.09277	10.1
145.06467	28.1
145.10138	72.8
147.08043	32.8
147.11682	19.4
149.09589	28.1
155.08540	29.4
156.09328	21.2
157.10123	60.3
159.08092	87.6
159.11670	37.7
160.08839	11.2
161.09627	26.7
162.10327	12.0
163.03894	23.6
167.10677	80.6
169.10106	31.8
171.07939	13.7
171.11658	31.3
172.08817	27.8
173.09607	24.5
173.13298	17.7
175.11176	24.5
179.08441	11.3
183.11711	27.2
185.09586	18.2
185.13280	18.5
186.10301	12.8
187.11205	23.8
189.12636	11.8
193.10036	18.9
194.10899	12.0
195.11716	24.4
195.15082	9.7
197.09492	14.1
197.13229	18.9
199.11246	11.4
207.06519	28.9
209.13214	11.3
211.11220	17.4
213.12598	23.6
220.14571	19.1
221.13255	13.2
225.12662	17.4
227.14345	13.7
228.23250	24.9
233.13263	12.8
233.15338	51.6
235.17113	11.7
237.12776	10.3
246.16338	12.6
273.56491	9.8
285.18546	76.1
286.19168	19.7
297.18497	16.0
299.20026	20.5
328.20300	27.9
335.20038	19.4
408.26920	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	408.223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80392	1.8
55.01860	4.3
55.05510	4.9
57.03425	2.0
61.02925	3.5
67.05515	11.3
69.03428	4.5
69.07087	7.1
70.06590	1.9
70.39896	6.1
73.02927	2.5
79.05484	6.8
81.07063	47.0
83.04991	2.8
83.08633	3.5
85.02908	13.0
85.06532	5.4
91.05487	13.7
93.07056	8.5
95.08610	8.9
97.02881	6.2
97.06506	4.5
99.08094	3.1
101.06023	2.0
105.07039	22.6
107.08617	10.7
109.02862	2.7
109.06507	3.5
109.10175	2.0
119.08593	18.4
121.10158	18.3
122.10423	1.6
123.08051	2.5
123.11723	25.3
127.03886	2.2
127.07542	3.3
130.08777	1.5
131.20526	1.5
133.10153	2.5
137.13298	2.8
141.09019	1.7
145.04947	1.8
147.11699	66.3
153.06418	1.6
165.12766	53.2
180.08685	3.2
183.13826	16.6
193.12259	5.5
211.13377	10.3
223.85625	1.5
229.14363	100.0
230.14702	1.8
280.73462	1.4
308.38684	1.5
310.04791	1.6
408.27341	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	408.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05046	5.9
57.07072	4.2
66.27984	4.3
67.05518	8.5
69.69632	7.0
69.70039	15.6
70.06609	6.2
73.29263	3.7
79.05482	6.5
81.07064	9.7
84.04465	4.5
84.08111	4.7
84.89645	3.7
91.05481	22.2
93.07061	12.2
95.08594	11.4
103.05462	4.1
105.07030	38.0
107.08579	7.9
109.10115	5.2
110.02389	5.0
110.06036	7.0
111.04429	5.7
115.05466	9.5
117.07012	27.8
119.08565	15.7
120.08096	9.8
128.03433	17.3
130.06522	7.5
131.04880	7.0
131.07336	10.8
131.08585	13.8
132.08096	24.4
133.06514	4.2
133.10136	7.1
134.09607	6.4
135.10437	8.8
136.07564	13.2
138.05501	100.0
140.61871	4.1
142.68393	4.4
144.08092	13.0
145.08891	20.4
145.10123	30.6
146.09645	8.1
147.04466	5.8
154.21326	4.4
159.04404	9.6
159.11745	19.2
160.07611	5.5
160.11227	71.3
162.09117	6.9
171.11763	5.0
174.04021	33.0
176.10727	7.6
178.12265	24.2
188.10713	58.0
193.10820	5.1
201.16389	56.4
203.03455	25.8
206.11749	73.8
215.03432	18.1
235.15240	11.8
336.08679	5.8
347.08963	4.9
392.62442	4.5
408.14133	19.3
408.25482	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	408.0474
Annotation	Unknow
Peak:m/z	Relative Intensity
69.90195	3.0
73.65651	0.6
85.73402	0.6
98.97565	1.1
100.40660	0.6
101.00873	2.8
109.19374	0.7
119.01924	7.8
140.98833	0.9
145.54391	0.6
156.97455	1.0
158.99916	2.0
177.00957	13.8
178.01082	1.0
183.00008	0.7
197.00592	1.8
201.00977	2.7
216.29500	0.6
216.99019	1.9
217.04100	2.9
217.99059	1.9
219.02016	22.9
220.02158	1.7
222.97870	0.7
225.00836	3.6
234.99983	4.4
236.00093	4.0
236.99828	1.7
240.98991	1.6
241.98997	2.2
242.98514	0.5
242.99342	0.8
243.02014	13.3
244.02324	1.0
254.01057	0.9
259.00034	7.4
260.00131	7.5
261.03067	100.0
262.03156	5.5
263.03058	1.8
273.98904	0.7
274.98972	1.2
277.01169	3.0
278.01114	3.7
279.00882	1.9
282.99994	10.7
284.00128	13.5
284.04636	2.0
284.99887	4.8
301.01080	12.4
302.01190	13.3
303.00867	4.4
319.02332	0.8
361.28079	0.8
367.02029	2.4
385.03186	20.1
386.03223	1.3
401.01340	0.9
403.04352	16.1
404.04135	1.0
408.00275	1.3
425.00961	2.0
426.01175	7.5
426.06201	1.1
427.01047	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	407.3676
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
53.39493	2.6
55.05515	17.9
57.07074	13.5
60.55486	2.5
67.05510	34.1
69.06729	4.5
69.07069	50.2
70.06586	6.0
70.70161	8.3
71.08630	5.5
79.05502	13.1
81.07060	96.3
83.08609	20.3
89.06030	7.9
91.05488	9.8
91.12967	2.3
93.07052	30.4
95.08612	73.1
97.10169	10.2
105.07026	29.0
107.08602	40.5
109.10160	57.5
111.11739	6.1
113.00033	22.0
117.07075	4.2
119.08591	30.3
121.10148	30.0
123.11705	27.7
131.08586	11.9
133.10126	22.1
135.11697	22.4
137.13283	13.0
139.61415	2.4
141.10223	9.7
142.07787	3.2
143.08588	11.4
144.09418	3.1
145.10123	24.6
147.11722	22.0
149.13281	22.6
151.14873	3.2
157.10094	13.1
158.10823	3.1
159.11707	34.8
160.66536	2.9
161.13266	21.6
163.14853	9.1
169.02602	21.3
169.10138	4.1
171.11629	13.2
173.13252	20.2
175.14807	13.8
177.16385	7.0
183.11717	6.6
185.13310	13.3
187.14819	19.4
189.16446	11.7
191.17950	6.1
195.12135	3.0
197.13228	4.5
199.14873	10.0
201.16379	14.6
203.18004	11.7
211.14917	4.0
213.16431	10.4
215.18019	9.7
217.19464	5.1
227.17941	12.5
228.18889	3.2
229.19513	11.6
241.19591	3.9
243.21014	3.7
245.22562	2.6
253.19635	3.5
255.21101	8.1
257.22580	3.8
269.22665	7.7
271.24524	2.9
281.22736	4.7
283.24203	5.3
295.24445	3.5
297.25763	4.3
325.28912	5.5
337.28864	5.2
351.30637	3.0
365.31891	4.3
377.96274	2.8
379.33908	6.4
396.30887	3.2
407.22336	5.5
407.36826	100.0
408.37097	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	407.3674
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
53.03954	1.5
55.05513	11.8
57.07084	7.8
60.89632	1.0
65.03949	2.2
67.05509	22.5
69.07069	21.5
69.09566	1.0
71.08636	2.4
71.48473	1.3
72.08948	1.1
79.05498	12.4
81.07059	51.7
83.08625	9.6
89.06010	2.1
91.05474	11.4
93.06578	0.8
93.07051	29.7
95.08614	78.8
97.10190	4.1
105.07035	22.0
107.08601	42.0
109.10165	61.7
111.11730	2.4
113.00035	3.8
117.07030	2.5
119.08586	37.1
121.10153	51.8
123.11712	33.5
124.03519	1.0
129.07028	1.6
131.08554	7.6
133.10138	44.2
135.11702	25.3
137.13266	15.0
143.08536	2.2
145.10132	14.8
147.11687	19.2
149.13261	20.2
151.14842	4.3
157.10176	4.0
158.11041	1.2
159.11708	14.5
160.12445	1.3
161.13261	18.0
163.14848	15.7
165.16452	1.1
169.02652	2.1
171.11714	4.1
173.13290	10.5
175.14839	16.6
177.16418	13.8
179.17844	1.4
185.13327	4.5
187.14848	15.5
189.16412	16.5
191.17969	18.0
193.19571	1.2
199.14903	4.3
201.16432	7.3
203.17960	9.9
205.19609	1.7
213.16400	3.0
215.17967	10.1
217.19498	11.7
227.17986	3.6
229.19528	7.2
231.21123	4.8
241.19577	4.2
243.21078	8.7
245.22668	5.2
255.21239	6.4
257.22632	7.9
259.24350	1.4
269.22635	10.8
271.24203	5.8
283.24268	7.0
285.25769	2.4
297.25873	3.3
300.28232	1.1
311.27344	3.1
323.27414	1.6
337.28848	2.9
351.30270	2.3
360.36774	1.0
365.32196	3.4
383.24942	1.2
407.36780	100.0
408.37024	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	407.3674
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
55.05510	7.5
57.07063	4.5
67.05195	1.1
67.05515	18.0
68.48649	1.1
69.07072	17.0
69.17686	1.0
71.08599	1.7
71.26023	2.0
79.05499	7.2
79.68681	1.0
81.07063	32.1
83.08628	6.1
91.05497	6.3
91.05963	1.0
93.07053	17.0
95.08613	53.9
97.10172	4.1
103.20937	1.2
105.07038	18.9
107.08614	24.8
107.23396	1.2
109.10168	40.5
111.11723	4.9
113.00063	1.8
117.07036	2.6
119.08598	31.9
119.09467	1.7
121.10153	23.6
123.11729	15.4
131.08583	5.2
133.10143	14.2
135.11694	13.3
137.13246	10.4
143.08582	2.1
143.73955	1.2
145.10139	13.7
147.11699	18.3
149.13293	11.1
151.14900	2.0
157.10133	2.5
159.11708	12.3
161.13277	15.3
163.14856	8.7
169.02576	1.6
169.44861	1.1
171.11703	2.3
173.13272	9.8
175.14848	11.4
177.16403	11.6
182.07718	1.3
185.13301	3.6
187.14828	8.5
189.16402	22.4
191.17940	14.8
199.14873	2.8
201.16383	10.8
203.17981	18.4
205.19518	6.0
213.16431	2.3
215.17975	13.5
217.19553	11.9
227.17992	4.0
229.19588	4.2
231.21124	4.3
241.19566	2.4
243.21169	6.6
245.22743	7.6
255.21146	4.3
257.22623	3.5
269.22644	6.9
271.24326	3.2
283.24249	3.2
285.25891	1.5
297.25790	4.4
311.27451	3.8
323.27341	2.7
337.28970	2.6
347.04242	1.2
351.30679	2.2
365.31723	1.6
407.36761	100.0
408.37076	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3674
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
51.33294	1.2
53.03931	2.0
55.05511	7.9
57.07067	5.5
57.18405	1.1
67.05173	1.8
67.05510	19.4
69.07069	19.4
71.08636	1.6
71.28525	1.6
79.05496	9.3
81.07061	44.4
81.07536	2.3
83.08616	7.5
87.07301	1.0
91.05479	7.9
93.06483	2.0
93.07045	24.9
95.04989	1.4
95.08611	68.5
96.08990	1.7
97.10165	3.7
97.22241	1.1
105.07037	19.6
107.08601	38.2
109.10163	53.3
111.11719	2.3
113.00023	1.8
117.07021	2.5
119.08591	32.4
121.10151	48.4
123.11713	31.5
131.08582	6.9
133.10133	43.0
135.11702	21.3
135.12723	1.4
137.13264	17.1
141.05490	3.7
143.08563	2.6
145.10141	12.2
147.11699	17.5
149.13260	18.1
151.14810	5.4
157.10172	3.0
159.11717	12.8
161.13284	15.4
163.14824	15.1
169.02615	1.1
171.11681	3.8
172.73399	1.1
173.13261	10.2
175.14815	16.0
177.16415	11.3
179.40715	1.0
185.13321	3.4
187.14783	9.8
189.16408	13.3
191.17966	13.4
199.14868	3.2
201.16348	7.7
203.17993	8.5
211.73305	1.4
213.16397	2.6
215.17931	7.9
217.19524	11.0
219.21162	1.5
227.17989	2.2
229.19496	9.3
231.21103	4.9
241.19466	2.9
243.21075	6.1
245.22658	5.9
255.21118	5.4
257.22644	8.6
269.22607	9.3
270.23218	1.2
271.24329	5.2
283.24228	7.4
285.25851	1.4
297.25803	2.5
311.27396	3.4
315.16739	1.0
323.27386	1.8
327.03217	1.1
337.28842	1.7
351.30542	2.4
359.31204	1.1
365.32001	1.8
407.36743	100.0
408.36798	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	407.3521
Annotation	Tenuifolide B
Peak:m/z	Relative Intensity
53.03933	2.5
55.01869	1.6
55.05509	15.3
56.59658	1.3
57.07076	21.3
58.38445	1.5
67.05510	20.2
69.03097	1.4
69.03440	19.2
69.07074	23.7
70.77525	1.3
71.08633	18.8
71.48405	2.4
79.05489	11.3
80.37207	1.5
80.43407	1.6
81.06604	1.8
81.07066	35.9
83.08621	15.1
85.10155	7.4
87.35037	1.9
89.06022	5.6
91.05478	5.6
93.07058	14.3
95.04955	4.6
95.08616	31.7
96.91219	1.4
97.06542	3.4
97.10175	8.9
105.07047	11.2
107.08607	16.1
108.08900	1.6
109.06523	6.0
109.10172	20.5
111.11711	4.0
113.00036	12.2
119.08582	14.3
121.10159	14.3
123.04435	26.6
123.08067	5.6
123.11726	10.1
125.05997	12.7
131.08545	2.8
133.08614	1.9
133.10132	12.1
135.08040	2.6
135.11671	7.1
137.05977	8.8
137.09607	7.0
137.13249	6.2
139.07556	7.4
141.05450	5.3
143.07060	1.6
143.08606	1.7
145.10127	6.2
147.11705	10.0
149.09621	1.6
149.13235	6.2
151.07561	9.5
151.11174	6.0
153.09056	2.2
155.07021	3.0
157.10081	2.0
159.11659	4.4
161.09557	2.1
161.13240	7.6
162.13452	1.5
163.14766	3.1
165.09099	4.9
165.12714	3.4
167.10701	4.7
169.02605	10.6
173.13393	1.9
175.11185	2.1
175.14845	5.0
179.10744	6.9
179.14362	2.5
181.12202	3.1
187.14865	3.4
189.16338	5.8
191.17929	4.6
193.12311	4.5
195.12231	2.0
195.13800	3.3
201.16400	3.4
203.17940	4.3
207.13860	3.5
209.15472	1.5
210.53748	1.7
215.17978	3.1
217.19533	3.5
227.17839	2.0
229.19679	1.7
231.20900	1.8
255.21124	2.0
257.22562	1.9
307.26282	2.2
322.38748	1.7
343.33551	3.8
361.34705	6.8
371.33026	3.5
389.34186	49.1
407.35287	100.0
408.35654	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	407.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37963	2.3
53.03946	2.3
55.05510	16.3
57.06820	4.1
57.07077	25.5
67.05167	3.5
67.05505	26.6
69.03439	17.4
69.07071	26.9
71.08643	18.1
71.48962	3.9
79.05495	10.8
81.07062	48.9
83.08181	2.8
83.08611	18.9
85.10181	8.5
88.22693	2.1
89.06042	6.5
91.05501	10.0
93.07054	20.3
95.05003	4.5
95.08618	41.6
97.06535	4.3
97.10186	8.5
105.07020	15.3
107.08603	19.9
109.06538	8.1
109.10162	30.5
111.11740	5.6
113.00053	14.2
117.07016	3.0
119.08580	17.6
121.06529	2.1
121.10144	23.1
123.04431	23.2
123.08103	6.4
123.11696	12.8
125.06016	9.3
125.13261	2.6
126.00288	2.1
131.08600	4.5
133.10165	21.5
135.11745	12.7
137.05963	12.0
137.09656	5.8
137.13290	6.2
139.07561	5.6
141.05510	5.4
143.08586	3.7
145.10123	7.8
147.08070	2.8
147.11700	12.8
149.09749	2.3
149.13298	9.9
151.07590	7.5
151.11206	8.9
153.09137	3.5
157.10176	2.7
159.11719	8.9
161.09666	3.7
161.13289	10.2
163.14854	4.9
165.09073	6.0
165.12799	4.7
167.10783	3.8
169.02592	11.7
171.11754	3.9
173.13307	6.9
175.14857	8.0
177.16528	2.3
179.10701	6.3
181.12282	3.8
187.14870	3.5
189.16435	7.0
191.18044	5.0
193.12245	7.1
195.12262	2.8
201.12747	11.3
201.16454	3.8
203.18062	7.0
207.13803	6.0
215.18050	3.9
217.19559	5.5
227.18019	3.9
251.20195	2.1
257.22690	3.0
269.22610	3.6
277.21930	2.4
343.33929	2.6
361.34668	7.1
371.33340	5.0
389.34232	53.7
407.35449	100.0
408.35928	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	407.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.4
55.86681	0.4
57.03439	5.5
57.07080	7.1
67.05506	3.3
69.07060	1.1
70.65848	0.9
71.08640	4.7
79.05458	0.6
81.07068	3.7
83.08633	1.8
85.10192	2.0
89.06033	0.9
91.05572	0.5
93.07054	0.9
95.08615	4.8
97.10167	0.6
109.10165	1.6
111.08073	0.4
111.48190	0.5
113.00024	100.0
123.11720	0.8
131.08585	0.5
137.13312	0.5
139.01590	1.1
169.02621	94.3
170.02965	0.7
171.03091	0.4
201.16478	0.4
239.23689	0.8
350.27100	0.4
407.37534	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	0.9
57.03438	5.4
57.07070	5.5
67.05498	1.9
67.33578	0.5
69.07069	1.5
69.88068	0.5
70.54749	1.8
71.08625	4.8
74.83868	0.5
79.74622	0.5
81.07076	3.1
83.08624	1.3
85.10181	2.4
94.98977	0.5
95.08612	3.2
97.10193	0.9
102.20033	0.6
106.73455	0.6
109.10174	1.3
113.00021	100.0
123.11694	0.6
139.01575	1.0
139.47322	0.5
156.15388	0.5
169.02615	91.6
170.02858	0.8
184.33565	0.5
195.97234	0.5
231.89807	0.6
243.59094	0.6
254.18512	0.5
265.41641	0.6
341.05142	0.5
390.16028	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1855
Annotation	Lespedezol E1
Peak:m/z	Relative Intensity
50.13131	0.3
55.05522	1.7
57.07057	0.7
60.34366	0.3
62.60656	0.3
67.01855	0.5
67.05476	1.1
68.99772	1.3
69.07070	2.1
71.21990	0.6
79.05453	1.0
81.06674	0.4
81.07059	4.6
83.08610	0.5
91.05452	0.8
93.07014	0.7
95.04940	0.9
95.08615	4.5
103.05495	1.7
104.56745	0.3
105.06992	0.8
107.08611	0.8
109.10136	0.4
113.09576	0.4
115.05412	0.4
115.70369	0.3
117.06987	0.4
119.08562	1.1
121.02890	0.6
121.10099	0.9
123.11700	3.0
129.06978	0.7
131.04945	3.5
131.08566	1.1
133.10103	0.7
135.11749	0.4
137.13255	0.8
143.08562	0.5
145.06476	0.6
145.10139	0.6
147.04427	0.7
147.11682	0.4
149.02328	1.0
153.01836	10.2
153.06987	1.3
157.02820	0.7
157.06491	1.0
157.10150	0.9
159.08063	0.8
159.11736	0.6
165.06982	0.5
169.10162	0.3
171.04388	0.8
171.08022	1.0
175.14851	0.6
177.16374	0.8
181.06459	0.6
183.08070	0.4
185.05956	1.1
187.07538	0.8
187.14755	0.7
199.07567	5.0
201.16309	0.4
205.15872	1.1
209.05898	0.6
211.71391	0.4
212.25768	0.3
213.05524	0.9
227.07016	3.8
237.05412	0.5
255.06544	19.6
256.06921	0.7
266.05862	0.5
268.03845	0.7
271.06110	1.8
283.06024	100.0
284.06287	1.9
297.07620	4.2
309.07489	0.7
311.09085	3.2
319.09830	0.4
323.09021	0.7
325.10669	4.5
337.10641	1.8
351.12219	1.5
407.18564	15.4
407.33023	0.8
408.18930	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1856
Annotation	Erythrivarone B
Peak:m/z	Relative Intensity
53.03948	0.6
55.01867	1.0
55.05500	1.2
62.34485	0.4
64.87349	0.5
67.05508	2.8
69.03410	0.5
69.07070	6.3
70.31043	1.1
70.31405	1.0
74.75157	0.5
79.05497	1.6
81.07060	2.5
91.05472	1.9
93.07044	3.3
94.07436	0.6
95.04983	1.0
95.08607	1.9
103.05470	3.7
105.07005	1.3
105.84765	0.5
107.08590	0.6
109.10204	0.8
111.08070	1.1
117.07016	0.7
119.08606	1.4
121.02856	1.2
121.10167	0.7
131.04941	19.9
131.08603	1.0
139.07608	0.5
140.07883	0.6
141.01826	1.2
145.10115	0.6
159.11655	0.7
164.18652	0.5
165.01836	6.5
169.34723	0.5
183.02907	1.1
185.13210	0.6
225.05434	0.5
233.82294	0.6
239.07086	1.1
267.06573	2.8
268.07291	0.7
283.06039	30.1
295.06030	50.4
296.06723	2.1
309.07529	0.8
351.12289	100.0
352.12671	2.8
371.26007	0.8
406.37610	2.6
407.18521	12.3
407.27225	0.6
407.37744	2.2
419.52307	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62772	0.7
53.03942	1.0
55.01862	2.9
55.05510	2.2
56.05036	7.5
57.03443	6.0
58.99586	12.9
68.05015	2.2
69.07062	1.7
69.58001	2.9
69.58435	1.8
70.02996	0.9
70.06580	1.2
73.01126	1.8
74.00668	1.3
76.02233	21.4
76.03999	1.7
79.05490	3.5
80.05006	1.5
81.07056	18.1
84.04507	27.2
84.08135	3.3
85.01105	2.8
85.71592	0.8
86.00649	6.4
86.09691	3.2
86.99049	5.8
87.02685	5.6
88.02206	2.8
89.95410	0.7
90.06172	0.7
93.07007	0.9
94.06570	1.1
95.08608	3.9
96.08141	1.3
97.01101	1.3
97.06531	1.8
98.09695	12.4
99.08098	4.9
102.05562	4.6
105.07048	1.8
109.51817	0.8
110.09648	2.0
112.03954	3.7
113.04218	6.6
114.03738	0.9
115.05785	1.2
116.01678	23.5
122.09647	1.4
123.08069	1.1
127.05793	1.0
129.06595	3.2
130.05003	8.7
130.06859	4.6
130.08644	1.5
135.52760	0.7
139.05737	1.8
141.04872	0.9
142.03215	2.4
143.02734	1.0
144.01129	9.9
145.06035	1.6
156.08420	21.3
156.10204	12.0
157.06841	8.6
162.02217	22.8
165.49637	0.7
174.09483	13.0
179.04878	7.7
187.05455	1.3
189.03314	1.1
197.16486	1.3
210.11252	2.2
215.04752	0.8
216.06897	6.2
233.05841	2.4
242.08316	0.8
259.11127	100.0
260.09247	1.1
260.11572	1.3
285.12469	1.2
313.12173	3.6
331.13144	5.4
343.13385	1.0
388.15250	1.2
406.16418	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	406.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.3
57.03430	1.2
58.60486	1.3
60.65480	1.2
67.05516	1.7
68.72829	1.0
68.99794	1.3
69.03423	3.8
70.06584	8.5
70.08205	2.0
70.08608	3.5
72.08146	4.4
74.06073	2.2
76.02222	2.3
77.03857	0.9
79.05484	1.8
81.03436	1.5
81.07057	1.6
84.04505	2.7
84.08183	2.1
85.02898	2.7
86.06075	5.1
86.09699	2.7
87.04474	14.6
91.05479	2.0
95.04955	3.9
97.02863	1.4
99.08050	1.1
103.27525	1.2
104.07107	29.1
107.79375	1.0
109.02853	2.5
109.63740	1.2
116.01670	1.2
119.04983	6.5
121.06473	1.3
123.04430	36.8
127.03924	3.3
129.10236	1.3
132.08069	1.5
135.04440	3.5
136.07637	1.6
137.06004	1.5
137.75491	1.2
139.03911	12.0
147.04408	19.3
151.03905	92.0
152.04251	1.4
153.05452	2.7
156.08438	1.3
159.09247	1.4
161.06000	3.4
162.02188	1.2
163.03920	6.2
165.05504	5.6
173.06023	3.6
175.03912	1.8
177.05464	1.3
181.04959	7.2
187.03943	2.0
193.04942	4.5
193.06552	1.2
207.06508	3.6
215.83504	1.3
217.08461	1.7
222.99829	1.1
243.06432	1.4
259.11163	5.6
285.07547	2.9
303.08640	100.0
304.08902	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.3728
Annotation	5alpha-Cholestan-5alpha,6beta-diol
Peak:m/z	Relative Intensity
55.01868	1.0
55.05522	6.2
57.03423	1.8
57.07082	12.2
67.05507	9.9
69.03390	0.9
69.07067	8.1
71.08637	9.8
78.01199	0.7
79.05489	1.2
81.07054	2.8
83.01344	4.6
83.04971	1.4
83.08611	4.7
83.91750	1.0
85.10181	4.4
87.97221	0.8
91.05473	5.8
93.07049	30.3
95.04996	1.7
95.07993	0.9
95.08609	18.4
97.06534	3.5
97.10159	2.6
105.07044	1.2
107.08607	6.9
109.06557	1.0
109.10142	2.8
111.08087	15.7
113.00032	1.8
118.36402	0.8
118.80952	0.8
119.08572	1.0
121.06510	3.0
121.10149	3.8
123.08073	1.9
125.05989	2.9
125.09628	3.5
127.07562	3.0
133.10167	1.0
135.08086	1.4
135.11670	2.2
137.09660	1.4
137.13312	1.0
139.07544	27.6
139.11174	1.9
149.09644	0.9
151.11212	2.8
153.09106	9.4
153.12759	2.0
153.31140	1.1
167.10672	9.3
169.02670	1.4
177.12854	1.3
181.12234	9.5
191.14299	1.3
195.13817	7.2
209.15436	4.4
223.16998	2.4
237.18498	2.2
247.95013	1.0
250.64093	0.8
251.20117	2.0
261.46729	0.9
265.21683	3.2
279.23151	2.3
293.24716	2.2
349.31046	0.9
387.36459	1.3
405.37289	100.0
406.37677	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.3517
Annotation	4,4'-Diapo-zeta-carotene
Peak:m/z	Relative Intensity
50.90565	2.0
53.03940	2.9
55.05509	7.1
57.07076	4.3
63.97688	2.1
65.72076	1.8
67.05511	11.8
69.07072	13.5
69.14665	21.3
71.32198	2.3
75.88892	2.0
79.05502	12.2
81.07062	36.8
83.08630	7.6
91.05508	8.3
93.07050	22.6
95.08609	47.1
105.07016	24.8
107.08594	37.4
109.10161	26.1
117.07038	5.4
119.08594	31.8
121.10170	27.2
123.11694	13.5
131.08569	13.5
133.10155	18.4
135.11679	18.4
137.13272	3.9
139.07567	2.6
143.08624	3.7
145.10132	25.0
147.11694	15.8
149.13261	12.4
157.10172	8.9
159.11688	26.9
161.13258	11.0
163.14819	10.1
169.10118	2.4
171.11768	6.0
173.13261	13.7
175.14825	14.1
177.16463	6.3
183.11732	2.4
185.13344	4.4
187.14880	7.9
189.16379	17.8
191.17966	27.7
191.58305	2.2
199.14912	10.5
201.16391	37.9
203.18073	5.6
205.19583	2.6
213.16415	12.6
215.18002	16.6
217.19629	5.9
227.18063	5.8
229.19594	3.5
241.19554	4.6
255.21146	5.0
257.22714	3.1
267.21127	4.1
281.22839	4.3
335.27438	3.8
339.83597	2.5
374.15268	5.3
375.15869	11.5
389.17914	11.2
390.18201	16.8
391.19388	2.6
395.24393	2.4
403.19366	2.7
404.19717	4.6
405.20801	100.0
405.35052	71.0
406.21194	5.9
406.35449	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	405.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.5
55.01880	3.5
55.05315	1.9
55.05519	23.6
59.07364	2.1
67.05514	29.7
69.07090	16.6
70.06578	3.5
70.68890	5.2
75.21487	3.0
79.05511	29.1
80.78326	2.2
81.03408	2.5
81.07057	32.0
83.03128	2.1
83.04952	4.2
83.08627	19.3
85.06534	2.5
87.92439	2.2
91.05491	41.2
93.07050	31.7
95.04934	3.7
95.08616	24.7
96.48067	2.3
97.06526	4.3
97.10167	4.1
103.05472	2.5
105.07031	32.6
107.04974	4.7
107.08636	11.1
109.06477	2.4
109.10174	7.6
111.08089	5.6
115.05479	21.7
117.07022	27.1
119.08597	14.7
121.06526	3.8
121.10147	11.6
128.06210	6.8
129.07024	28.8
131.04951	18.1
131.08586	40.4
133.10135	12.8
135.08101	3.0
135.11705	4.4
139.07552	2.2
139.11127	3.6
141.06981	9.9
142.07748	4.5
143.04955	12.1
143.08600	21.6
145.06532	5.5
145.10132	16.3
147.08060	6.7
147.11708	3.5
149.09674	3.2
150.41185	2.5
153.07060	2.8
155.08578	19.7
157.10104	9.3
159.04494	3.2
159.08119	2.4
159.10442	2.2
159.11665	11.3
161.09668	3.8
163.11180	2.2
167.08589	6.1
169.10126	10.0
171.08089	2.9
171.11711	7.1
173.09624	2.9
173.13223	3.6
175.11270	2.4
181.10167	6.1
183.08061	2.6
183.11723	6.2
185.13234	2.6
187.03918	100.0
188.04243	3.0
193.10074	2.7
195.11697	6.3
195.13487	2.1
197.13252	3.9
199.14828	4.0
207.11742	3.6
209.13237	3.3
211.14877	3.6
221.13350	3.2
223.14795	9.6
233.15326	7.8
235.14836	3.0
239.14220	4.6
247.16980	2.5
253.15794	2.2
256.26581	2.8
257.15472	5.8
259.16895	3.1
271.17035	3.3
300.29089	3.2
303.06628	2.5
323.23422	3.2
331.05878	5.0
333.22107	4.3
341.24680	5.0
351.23245	17.4
362.92935	2.4
369.24197	17.9
373.06836	3.3
387.25406	14.6
405.09723	33.4
405.26407	4.3
405.37189	3.7
406.35193	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	405.2639
Annotation	Stolonoxide E
Peak:m/z	Relative Intensity
51.99850	4.2
53.03937	10.4
55.01876	18.9
55.05523	38.0
57.03445	11.9
57.07074	4.5
65.03962	5.4
67.05506	84.0
69.03434	39.5
69.07075	40.6
70.20422	14.9
70.20809	8.1
71.04993	14.0
71.08612	4.9
71.86790	4.1
73.02907	6.8
79.05494	85.8
81.03413	46.5
81.07055	95.4
83.04987	20.0
83.08627	20.0
85.02898	18.7
85.06540	12.2
91.05492	75.4
93.07053	81.9
95.04969	21.8
95.08617	71.5
97.02902	14.4
97.06522	14.9
97.10193	7.3
99.04432	9.1
103.05453	6.1
105.07035	82.6
107.04962	11.5
107.08599	51.4
109.02882	7.3
109.06538	10.9
109.10164	31.4
111.04460	13.5
111.08066	8.6
113.02426	5.9
115.03954	6.6
117.07027	42.2
119.08588	65.3
121.06532	11.1
121.10150	38.0
121.36037	4.2
123.08075	17.4
123.11736	12.6
125.06010	5.5
125.09611	8.1
128.06206	10.6
129.05508	10.1
129.06987	26.8
130.07809	5.4
131.08569	62.1
133.06473	9.9
133.10136	46.6
135.08063	11.9
135.11687	27.0
137.05888	5.1
139.11211	5.1
141.06961	8.1
142.07791	7.5
143.08565	31.8
145.06482	8.2
145.10101	50.1
145.11008	4.9
147.08066	8.0
147.11673	27.0
149.09618	12.3
149.13255	11.3
152.65480	4.8
155.08499	11.8
157.10136	20.9
159.08054	8.5
159.11693	38.6
161.09642	9.8
161.13280	7.0
163.11211	7.9
165.12764	4.9
169.10129	14.0
171.08029	8.0
171.11644	24.3
173.09575	5.5
173.13283	19.0
175.11201	11.3
175.14857	15.8
179.14398	5.4
181.10129	6.7
183.11717	13.4
185.09737	7.0
185.13251	15.0
187.11206	6.6
187.14841	14.3
191.14362	6.4
195.11722	8.8
197.13229	8.4
199.14719	13.1
201.12833	9.1
203.10707	5.0
203.14278	7.5
209.13324	7.5
211.14778	4.6
215.14444	5.5
225.12737	6.5
259.20654	6.9
271.20636	6.6
273.22101	11.1
277.21542	5.9
285.22052	8.8
289.21521	10.9
297.21747	5.5
299.23596	5.9
301.21594	7.3
303.23398	6.9
313.21832	5.7
315.23349	10.1
319.22516	5.3
327.23279	12.2
331.26352	17.1
336.90015	5.2
341.24747	17.0
345.24432	13.3
351.23083	20.5
369.24231	57.9
377.26740	4.9
387.25272	55.7
405.26013	100.0
405.30331	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	405.2638
Annotation	7alpha,12alpha-Dihydroxy-3-oxochol-4-enoate
Peak:m/z	Relative Intensity
53.03925	13.3
55.01859	16.5
55.05502	30.8
57.03425	9.1
67.05508	83.2
69.03439	61.6
69.07059	39.8
71.04979	10.2
71.49173	10.6
77.91410	7.2
79.05498	55.6
81.03401	24.3
81.07062	100.0
83.05001	11.4
83.08639	19.3
85.02905	12.5
88.74465	7.4
91.05481	74.5
93.07063	77.9
94.17625	7.0
95.04984	16.5
95.08620	95.6
97.02888	12.0
97.06533	11.0
99.04421	8.4
105.07047	71.3
107.04948	9.6
107.08598	57.5
109.02872	9.8
109.06549	20.2
109.10164	36.9
111.04452	11.6
111.08044	9.9
117.07024	31.6
119.04884	10.0
119.08593	71.1
121.10135	38.4
121.20560	7.6
123.11722	18.2
129.07007	24.6
131.08554	52.4
133.06516	12.5
133.10118	43.2
135.08072	11.5
135.11678	32.1
141.06969	13.7
142.07864	7.9
143.08560	34.4
145.10130	40.1
147.08054	9.3
147.11697	46.2
149.13254	18.6
155.08560	14.2
157.10118	28.0
159.08118	11.6
159.11728	42.0
161.09554	14.3
161.13297	15.7
169.10127	16.8
171.11707	15.1
173.09561	11.6
173.13261	29.7
173.52209	7.6
175.11191	8.8
177.52965	9.7
183.11662	12.0
185.13306	15.0
187.14803	13.4
199.14752	12.1
225.12813	9.6
225.16557	9.9
273.22177	8.0
285.22101	9.4
315.23392	14.1
327.23141	12.0
341.24817	11.9
349.10614	10.4
351.23108	15.2
369.24277	37.8
387.25479	47.0
405.16547	16.0
405.26581	92.9
405.36710	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	405.264
Annotation	7alpha,12alpha-Dihydroxy-3-oxochol-4-enoate
Peak:m/z	Relative Intensity
53.03945	17.4
55.01869	14.0
55.05517	48.1
55.61571	7.0
57.03438	9.1
57.07078	10.0
64.92893	7.2
65.03934	7.4
67.05508	95.9
69.03445	42.8
69.07072	36.4
69.40049	13.8
69.40456	42.7
71.01372	6.2
71.05000	12.1
78.07561	7.5
79.05501	86.6
79.97662	7.0
81.03432	30.3
81.07064	98.1
83.04994	16.8
83.08625	22.8
85.02924	15.0
91.05480	100.0
93.07056	90.1
95.04967	24.1
95.08617	68.1
97.02914	17.1
97.06512	14.2
97.10162	12.2
105.07047	95.2
107.04971	15.7
107.08597	62.0
109.02856	10.5
109.06535	14.3
109.10161	37.5
111.04465	11.7
111.08109	7.5
115.05457	6.9
117.07027	43.0
119.08578	65.2
121.06584	9.5
121.10157	35.4
123.08062	16.1
123.11710	13.8
128.06236	14.8
129.07016	25.7
131.08588	69.1
133.06439	11.0
133.10121	44.6
135.08054	10.0
135.11687	26.3
137.09653	8.9
141.06984	12.5
142.07813	8.5
143.08549	29.5
145.06467	13.3
145.10130	52.2
147.08057	12.5
147.11676	32.4
149.09642	13.8
149.13235	17.9
153.09129	7.2
155.08600	18.3
157.10120	30.6
159.07985	8.1
159.11711	42.2
160.28358	6.3
161.09630	15.8
161.13260	25.6
163.11272	7.5
169.10173	20.6
171.11685	25.8
173.09676	11.1
173.13298	23.5
175.07579	8.0
175.11182	9.8
183.11693	12.3
185.09692	7.2
185.13206	11.5
187.11176	9.1
187.14835	14.5
195.11699	8.5
197.09624	7.8
199.14857	18.6
201.12744	12.1
211.14719	7.7
220.17859	6.8
225.16527	7.8
260.21133	6.3
273.22278	10.6
277.21552	7.4
291.23318	10.3
297.22217	7.4
301.21722	9.6
315.23221	14.9
319.22714	8.0
327.23361	16.1
341.24774	14.1
345.23975	13.5
349.10608	7.4
351.23175	16.0
369.24307	59.2
387.25397	57.5
405.16537	15.0
405.26315	79.7
405.31061	12.0
405.35928	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	405.2638
Annotation	Stolonoxide E
Peak:m/z	Relative Intensity
51.02372	3.4
53.03933	7.7
55.01875	15.2
55.05278	2.3
55.05515	29.8
57.03419	6.0
57.07057	6.2
65.03930	5.3
67.05506	73.2
69.03429	28.9
69.07068	30.3
69.31880	4.5
69.32285	14.8
71.01337	2.6
71.04981	8.6
73.02920	2.6
79.05495	64.8
81.03426	24.7
81.06598	4.1
81.07059	78.4
83.04985	16.0
83.08626	12.2
85.02903	12.5
85.06539	4.2
91.05484	72.7
93.07044	65.2
95.04965	11.9
95.08608	59.2
97.02909	11.6
97.06501	8.7
97.10163	7.2
98.21562	3.9
99.04430	7.6
99.08086	3.4
103.02466	2.2
103.05468	4.9
105.07032	77.0
107.04952	13.5
107.08596	42.4
109.02889	3.7
109.06530	9.6
109.10165	21.8
111.04460	11.5
111.08059	5.4
113.05956	2.2
115.05449	6.5
117.07011	42.0
119.04956	2.5
119.08585	58.9
121.06503	7.6
121.10143	29.2
123.04401	6.3
123.08041	5.6
123.11692	8.3
125.09654	2.4
127.03932	4.6
128.06155	9.7
129.05470	5.1
129.07013	30.0
130.07764	3.3
131.08568	51.6
133.06491	9.5
133.10133	37.5
135.08052	7.6
135.11682	19.4
137.05920	1.9
137.09605	7.5
141.07011	9.3
142.07787	6.7
143.08560	21.1
144.09398	3.0
145.06442	7.2
145.10126	42.9
147.08092	9.7
147.11691	29.1
149.05968	2.6
149.09602	7.5
149.13206	11.1
151.07532	4.2
151.11139	2.9
153.06947	3.4
153.09097	2.6
154.07693	2.0
155.08530	10.8
157.06520	3.6
157.10147	21.2
159.08066	6.9
159.11691	31.7
161.06058	2.4
161.09616	7.6
161.13283	17.1
163.07556	2.9
163.11172	6.5
163.14864	4.0
165.07086	3.1
165.09067	2.5
167.08569	5.3
167.61853	1.9
169.10144	11.7
171.08011	6.4
171.11691	17.5
173.09636	6.7
173.13266	26.6
175.11154	10.8
175.14862	7.1
177.12737	5.1
179.08556	2.5
181.10164	4.3
183.08104	4.9
183.11671	11.0
185.09648	7.2
185.13264	12.3
187.11186	7.3
187.14786	11.5
189.12744	3.6
189.16484	2.1
191.14366	4.3
193.12184	2.6
195.11626	4.3
196.71309	1.9
197.09662	2.3
197.13275	9.0
199.11179	5.9
199.14819	8.2
201.12703	3.4
201.16415	3.5
203.10745	4.1
203.14331	3.7
209.13310	4.5
211.11227	3.2
211.14915	2.8
213.12822	5.0
213.16315	3.7
215.14326	3.3
223.14807	3.3
225.12775	3.6
225.16444	2.5
227.14235	2.7
229.12202	2.4
229.15944	2.1
231.13731	2.8
241.15833	2.6
241.19510	3.1
245.15329	2.4
259.20538	8.6
261.18866	1.9
261.22101	2.6
271.20538	6.3
273.22122	8.2
275.20236	2.7
277.21616	10.0
283.20572	3.7
285.22137	5.8
287.20258	3.5
289.21677	11.6
290.22128	2.3
291.23227	7.6
297.22247	4.3
299.20004	2.0
299.23657	3.4
301.21616	14.4
303.23117	9.6
313.21683	4.7
313.25171	2.1
315.23221	15.4
317.24695	2.6
319.22510	9.8
323.23611	6.1
327.23318	8.5
331.22672	6.6
333.22208	2.8
339.23215	2.6
341.24756	9.8
345.24304	10.2
351.23337	12.7
359.25772	4.2
362.48489	1.9
369.24246	55.1
387.25372	43.3
388.26068	3.0
405.26355	100.0
406.26871	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99168	0.6
53.03937	1.0
54.09872	0.5
55.01666	0.6
55.01875	6.7
55.05276	0.8
55.05517	11.9
56.24244	0.6
57.03444	5.6
57.07086	5.8
58.71768	0.6
61.41584	0.6
67.05508	7.8
69.07069	13.0
69.44430	4.6
71.08646	3.6
79.05502	4.1
81.07061	7.0
83.08627	9.3
85.10179	2.3
86.02926	0.6
91.05467	3.1
93.07049	17.1
95.08613	10.0
97.06528	2.1
97.10176	7.0
98.20769	1.3
105.07085	0.7
107.08637	3.6
109.10152	1.5
111.08083	6.6
111.11718	1.2
113.00025	100.0
119.08617	0.8
121.06477	1.0
121.10151	4.4
123.11710	1.2
125.09602	0.9
127.07546	1.4
135.11668	3.8
137.13210	1.3
139.01631	0.9
139.07558	7.0
149.13304	1.4
153.09122	3.3
167.10690	2.5
169.02621	93.2
177.16382	0.6
181.12267	2.3
195.13898	0.8
209.15372	1.5
216.06894	0.6
219.21129	1.6
237.22131	6.6
257.02570	0.7
279.23111	0.7
324.07657	0.7
338.33078	0.7
405.37296	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2637
Annotation	Stolonoxide E
Peak:m/z	Relative Intensity
53.03946	10.4
55.01877	22.5
55.05268	4.1
55.05515	50.4
57.03435	16.4
57.07071	7.8
65.03941	5.9
67.05508	84.2
67.27470	3.2
69.03433	42.4
69.07072	45.7
69.60054	6.1
69.60463	14.8
71.04986	11.0
71.87540	2.9
74.37307	2.7
79.05498	73.1
81.03430	33.8
81.06597	4.8
81.07066	82.7
83.04980	13.3
83.08620	20.6
83.22527	3.1
85.02898	12.0
85.06523	3.4
89.78474	3.3
91.05491	76.8
93.07046	76.6
95.03997	3.4
95.04969	15.5
95.08612	63.6
97.02911	18.7
97.06521	11.4
97.10184	12.5
99.04443	5.0
101.06006	3.7
103.05446	3.8
105.07038	74.4
107.04940	10.3
107.08607	53.6
109.02880	8.0
109.06501	10.5
109.10153	32.0
111.04446	14.1
111.08080	6.4
113.00018	92.2
113.05969	3.7
115.05479	4.2
117.07016	39.3
119.08579	52.2
121.06490	12.4
121.10152	36.7
123.04413	8.3
123.08060	11.8
123.11736	7.8
125.09566	3.4
127.03911	5.0
128.06227	9.9
129.05495	9.3
129.06999	29.4
131.08591	51.6
133.06494	13.5
133.10135	34.0
135.08127	5.3
135.11719	23.9
141.07014	9.2
143.08592	23.8
145.06487	9.2
145.10135	44.0
147.08070	10.7
147.11714	26.3
149.09676	8.4
149.13264	13.8
151.07620	5.0
155.08568	9.4
157.06496	6.6
157.10161	22.7
159.08055	9.5
159.11688	35.5
161.09618	10.4
161.13307	18.5
163.07538	3.9
167.08598	8.0
169.02623	100.0
169.10144	12.7
170.10995	3.8
171.08075	5.0
171.11685	20.7
173.09665	6.9
173.13229	25.0
175.07620	4.2
175.11208	7.5
175.14874	7.2
179.08414	3.6
181.10103	7.4
183.11702	11.8
185.09624	3.7
185.13245	14.2
187.11252	8.2
187.14767	9.3
189.12762	3.9
195.11620	5.2
197.13272	8.9
199.11313	3.9
199.14821	10.7
201.12749	7.0
203.14236	3.8
207.11772	4.5
209.13344	7.2
211.14828	6.7
213.12778	5.1
213.16379	4.9
217.15912	5.1
219.13832	3.6
221.13232	4.0
223.14883	3.0
225.12880	4.5
237.22118	6.0
250.22359	3.2
255.21425	3.6
259.20535	6.7
267.21237	3.8
271.20557	5.8
273.22134	11.1
275.20142	3.8
277.21869	5.1
283.20590	3.7
285.22086	6.4
289.21689	8.6
291.23282	4.7
301.21585	10.0
303.23163	8.3
315.23227	13.9
319.22681	4.6
327.23120	10.5
341.25024	15.8
345.24261	6.1
351.23068	13.5
356.99255	4.3
359.26126	5.2
365.10507	3.4
369.24207	51.2
387.25281	54.3
388.25235	4.3
405.26395	94.0
406.26373	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	405.17
Annotation	Lespedezol A3
Peak:m/z	Relative Intensity
55.05503	4.2
57.07064	2.1
59.46086	1.4
64.72283	1.3
67.01894	1.4
67.05499	6.1
68.99780	2.2
69.07058	2.6
70.14052	1.2
72.34058	1.3
79.05489	3.5
79.06789	1.4
81.07076	9.9
83.08612	2.5
91.05482	5.2
93.07063	10.8
95.08591	3.0
97.10131	2.2
100.54839	1.4
105.07043	2.9
107.08620	7.7
109.10187	7.1
121.02776	1.6
121.10119	5.7
123.11726	12.9
129.07007	2.5
131.04935	3.3
131.08556	2.2
133.02879	1.8
135.11676	5.4
141.07001	1.8
144.83951	1.5
145.06544	1.4
147.04419	1.4
149.02315	4.4
153.00577	2.3
153.01837	47.2
157.02884	1.9
157.06503	2.7
161.02348	39.0
161.03607	2.9
163.03926	2.1
165.01846	1.6
171.04405	2.5
181.06494	3.4
185.06073	1.7
199.07578	7.0
213.05392	2.1
227.07060	2.5
255.06534	34.0
267.06625	2.0
283.06018	100.0
284.06326	4.3
293.08084	2.7
295.05942	6.0
297.07565	5.8
298.51981	1.6
303.06372	1.7
305.08182	1.5
307.06061	4.0
307.09561	2.9
309.07578	6.1
321.07635	6.6
323.09146	9.8
325.10806	2.6
331.05945	5.3
335.09125	20.6
337.10654	11.5
339.40631	1.6
345.07535	4.8
349.10840	13.4
363.12195	5.3
373.06903	2.9
377.09219	1.9
405.17029	33.9
405.22287	1.6
405.31982	2.4
405.37402	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	405.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91511	4.9
53.03940	11.4
53.28475	4.3
55.01865	4.6
55.05507	6.5
56.05026	6.0
56.96564	5.2
57.03409	6.4
61.02915	5.7
67.05489	14.9
69.03428	31.4
69.07064	11.8
69.81963	9.7
69.82367	22.5
70.06593	43.7
71.04999	12.2
72.08150	11.8
73.02905	7.3
79.05452	7.1
81.03416	43.0
81.07026	19.2
83.04964	10.4
84.04498	9.7
84.08156	23.8
85.02907	100.0
86.09705	25.7
87.00819	22.2
91.05484	9.5
93.07019	12.5
95.04984	9.5
95.08619	8.1
97.02897	86.0
97.06525	8.5
98.20721	5.2
98.97594	6.4
99.04451	17.1
105.01852	14.3
107.04935	6.1
109.02888	28.5
110.07159	10.8
110.97598	6.4
120.08128	8.7
121.10095	6.5
126.05545	6.0
127.03934	50.3
129.10229	7.8
131.04947	5.7
135.08061	8.2
136.07555	23.8
137.05989	6.5
138.09111	11.2
139.09514	8.1
139.11189	24.2
139.32350	4.7
140.07043	20.4
145.04967	24.3
146.06015	5.4
150.94632	5.7
152.07066	35.9
154.08653	4.9
157.08696	6.9
157.12221	19.6
159.02863	12.3
159.09152	5.4
164.07069	21.1
169.04916	5.8
171.02818	9.5
182.08131	67.5
189.03949	57.1
192.10100	6.8
206.08018	7.4
213.04036	6.0
218.08157	16.1
220.09735	9.4
231.04936	13.4
236.09192	24.2
248.09189	68.2
266.10461	6.8
405.05798	9.2
405.12329	10.4
405.17175	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	405.1372
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	1.0
67.03755	0.8
69.03416	3.3
70.06602	4.6
70.36962	0.9
70.56823	2.6
72.08141	4.1
78.60133	0.9
81.03426	1.9
84.04509	1.2
84.08152	1.1
84.10955	0.8
85.02914	7.7
86.03241	2.0
86.09691	3.7
87.00825	2.2
97.02884	2.6
98.97507	0.9
99.04477	1.3
105.01863	2.7
106.02209	0.9
108.06653	1.0
109.02869	1.2
111.61627	0.8
119.04959	0.9
121.06511	1.3
127.03905	4.3
128.04269	1.6
141.05418	1.5
145.04985	1.8
157.08374	8.5
157.12305	0.8
159.03011	0.8
159.11339	1.2
169.04950	3.5
173.12953	1.0
177.35370	1.1
185.07909	5.2
187.08821	0.9
189.03906	0.9
201.12466	1.0
225.78584	0.9
249.39934	0.8
282.38974	1.0
301.12543	1.5
319.13663	20.5
319.17346	1.6
361.14691	76.0
362.14926	1.6
405.13663	100.0
406.14059	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22772	16.9
55.33756	18.1
61.39972	14.9
62.11300	15.6
66.26682	18.6
67.05511	19.3
69.07040	28.3
70.06585	25.6
75.71673	19.9
91.05491	26.1
93.07049	22.4
95.08611	34.2
105.07050	20.9
107.08625	18.0
113.02370	32.1
119.10767	19.0
147.04362	26.6
147.11667	23.5
155.04988	19.1
161.02324	23.3
182.46251	16.9
186.03070	27.8
201.05396	85.1
243.10243	45.3
251.14040	21.6
320.04034	19.3
327.06555	29.6
341.38675	19.0
345.07706	100.0
373.06943	27.1
387.08728	22.8
405.16727	43.1
405.21921	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	405.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36275	0.3
62.00548	0.3
67.05476	0.3
69.07058	0.4
69.54918	2.1
70.06565	0.4
81.07047	0.6
86.09679	0.4
91.05459	0.4
93.07046	0.4
100.74531	0.3
103.05511	0.4
105.06961	0.5
107.08563	0.4
115.05463	16.0
119.08549	0.3
131.04938	17.9
131.08586	0.3
132.05241	0.4
133.10182	0.4
143.04939	10.8
159.04449	4.0
177.05508	1.1
187.03914	100.0
188.04259	1.7
213.16443	0.3
219.06529	1.2
280.31699	0.3
331.06174	0.3
373.07043	0.9
375.10007	1.6
405.09735	19.2
405.14551	2.4
405.26706	0.5
406.10321	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26393	0.2
55.05485	0.2
65.86234	0.2
67.05473	0.2
69.07108	0.2
69.91454	0.6
70.06568	0.3
77.03937	0.3
78.52402	0.2
79.05490	0.2
81.07071	0.4
84.08124	0.2
91.05488	0.4
92.80385	0.2
94.92419	0.2
95.08610	0.4
98.80879	0.2
103.05455	0.4
107.08591	0.4
109.10095	0.2
115.05459	15.5
116.05776	0.4
121.10079	0.2
123.11734	0.3
131.04936	19.1
132.05254	0.3
143.04930	11.3
151.64505	0.2
159.04425	5.4
177.05476	0.7
187.03909	100.0
188.04263	2.0
219.06532	0.4
227.07198	0.2
283.06021	0.9
331.05884	0.5
373.07059	3.0
374.07190	0.2
405.09714	17.5
405.31586	0.2
406.10080	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40359	0.8
56.05027	2.1
56.96562	3.4
60.04522	1.2
62.06091	1.7
69.03426	1.6
69.04564	1.3
69.07048	1.2
70.02966	0.9
70.06602	5.2
71.04982	1.2
71.48312	0.9
72.08150	3.5
74.02443	2.2
74.06087	7.9
76.02232	2.6
81.03415	1.3
83.06097	1.3
84.04506	3.8
84.08144	6.3
85.02901	5.8
86.06071	5.7
86.09710	100.0
87.05597	4.2
87.10038	1.0
89.03915	2.3
95.04986	0.8
96.04506	2.2
97.02912	1.9
97.06534	2.1
98.97572	4.4
99.04414	0.8
101.07148	1.7
102.05531	0.8
109.02886	0.9
110.06046	2.0
110.07163	2.5
110.97564	1.5
113.07140	5.8
116.01627	0.9
116.03498	0.7
116.98612	1.2
117.03338	1.9
120.08109	1.9
121.06518	4.4
127.03909	1.5
127.05016	1.1
128.98604	1.0
129.10249	3.6
130.05042	2.5
131.08168	3.9
133.06087	16.3
135.04410	3.4
136.07535	0.8
138.05505	15.9
140.07146	0.8
141.06592	9.0
141.10280	1.2
143.00177	0.8
143.11769	0.9
145.02826	1.5
145.05016	1.2
147.07655	1.3
151.03946	1.5
156.06543	7.3
158.09290	1.2
159.07669	3.6
163.03914	13.1
165.10245	2.0
173.12823	1.6
179.04828	2.1
187.14459	2.3
200.13937	2.5
201.12387	1.1
202.14279	0.8
219.01704	1.6
226.15498	2.3
228.13579	1.1
229.11917	3.9
237.02855	2.7
246.14502	13.7
254.15018	15.2
272.16211	1.1
325.15057	0.9
386.20215	1.8
404.24188	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.8
55.05514	2.8
56.28822	2.3
61.86913	2.2
67.05512	22.2
67.54923	2.8
69.03439	6.4
69.25439	19.0
69.25837	4.5
70.06579	4.0
71.05015	2.7
77.63625	2.3
79.05505	4.2
81.07054	17.9
83.04993	2.7
84.08147	5.2
85.02902	6.1
86.09697	4.9
89.37704	2.6
91.05492	3.9
93.07047	6.5
95.01322	13.7
95.04950	3.6
95.08614	10.6
97.02917	16.0
99.04462	3.2
103.71761	2.7
105.07008	3.2
107.08641	3.4
109.10160	66.0
109.67507	2.7
113.02348	10.6
119.08598	3.7
123.00787	22.4
125.02308	4.5
125.05997	7.7
127.30373	2.9
133.10075	4.9
137.09625	100.0
141.01830	9.7
143.03398	6.2
147.08098	2.8
147.11635	2.6
155.10689	43.8
161.09610	3.7
165.09129	74.8
169.01326	12.1
173.24527	2.8
183.10181	45.4
184.10629	3.2
201.11230	99.9
219.12215	3.8
225.11288	4.0
333.13309	3.2
351.14572	3.1
404.16415	3.8
428.30463	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	403.9838
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96336	0.8
56.96570	8.4
71.47152	1.0
71.95269	3.2
97.02877	1.1
98.03181	0.7
98.97587	36.9
101.00892	3.1
102.01009	0.6
105.11063	0.6
116.98625	22.7
119.01924	10.9
120.01958	0.9
121.01696	0.7
122.28162	0.6
134.99673	8.6
137.02951	2.3
153.00716	0.8
158.99887	0.8
177.00983	9.5
178.01051	1.6
179.00786	1.2
207.44647	0.8
216.98997	2.5
219.02020	8.1
220.02197	1.4
225.01082	0.9
234.99945	3.9
238.95706	2.7
240.98898	8.7
241.01125	0.7
243.02086	2.5
245.01797	0.7
248.82971	0.6
254.93456	1.8
256.96646	10.0
257.96893	1.3
258.97073	1.5
259.00012	27.8
259.99997	4.0
261.00174	1.3
261.03070	17.1
262.03256	3.8
263.02881	3.1
264.03116	0.7
264.99222	2.3
272.94604	5.0
274.94183	1.1
274.97751	2.1
276.97925	1.4
277.01025	14.5
278.01294	2.3
279.01038	1.0
280.01028	0.7
283.00009	87.1
284.00092	7.8
284.99890	1.1
290.95578	1.3
296.94955	0.8
301.01059	82.5
302.01151	6.3
303.01208	1.0
310.44614	0.8
314.95718	1.4
318.95309	0.7
318.98785	1.4
319.02246	3.0
324.02655	0.9
334.89264	1.7
336.92633	2.0
337.92386	1.2
342.39932	0.7
344.94568	4.3
349.92557	1.5
351.40485	0.7
352.90204	4.3
354.93762	1.4
355.93771	1.6
356.96884	3.0
357.91022	0.9
357.96964	1.0
358.43121	1.0
358.93063	1.9
359.43454	0.9
359.96176	0.7
362.95853	1.5
369.93146	6.5
370.43359	1.2
370.91119	3.6
375.91830	3.4
376.90533	3.3
377.40656	1.1
377.91718	7.4
378.42172	6.6
378.93414	11.1
379.42331	2.1
379.94019	2.0
380.96777	42.0
381.43701	1.4
381.96927	3.6
386.88681	0.6
386.92599	7.2
387.42535	7.9
387.92346	9.9
388.41379	3.2
388.93637	1.1
389.41217	1.4
390.44104	1.2
392.95285	1.2
393.88574	1.0
393.93552	0.9
394.91464	3.0
396.94873	1.1
397.95044	1.0
398.40732	2.7
398.91571	3.2
398.97885	100.0
399.41354	1.2
399.90918	1.4
399.98026	7.9
401.45663	1.7
401.95468	2.4
402.45340	0.8
403.98242	1.0
416.88690	0.7
416.95441	2.4
421.95087	1.6
421.99557	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.3572
Annotation	4beta-Hydroxycholesterol
Peak:m/z	Relative Intensity
53.03938	1.7
55.01869	3.0
55.05275	1.0
55.05516	11.3
57.03443	1.0
57.07083	6.9
65.73085	1.0
67.05511	17.3
69.03439	1.5
69.07072	28.0
69.49761	7.3
71.08627	3.6
71.77890	0.9
79.05486	2.7
81.07069	4.9
83.08633	13.4
85.10188	2.1
91.05484	9.8
93.07050	52.2
95.04967	3.1
95.08617	29.1
97.06532	1.5
97.10191	6.4
105.07024	2.2
107.08611	6.5
109.10148	3.7
111.08089	25.9
111.11761	1.4
119.08623	1.4
121.06535	5.0
121.10147	2.4
123.08067	2.2
123.11732	1.5
125.09630	1.9
125.13271	1.3
125.38412	1.0
127.07563	3.0
129.01865	3.8
130.73935	1.0
133.10150	2.0
134.07336	1.0
135.11737	1.0
137.09587	1.3
139.07555	25.2
147.11671	1.4
149.13226	0.9
151.11148	2.4
153.09109	14.3
157.08638	3.5
159.11731	1.4
165.12737	1.1
167.10695	11.6
173.13379	1.2
175.14871	1.5
179.10774	1.9
181.12276	8.3
185.08078	2.1
193.12297	1.7
195.13832	9.1
207.13806	6.4
209.15419	3.7
217.03442	1.0
221.15379	1.4
223.16978	3.2
226.26901	1.0
237.18576	1.9
243.36435	1.0
249.18567	1.2
251.20134	2.8
263.95038	1.0
265.21713	5.6
270.21088	0.9
277.21472	2.3
279.23230	1.5
293.24805	2.0
305.24899	1.0
321.27930	2.5
333.28027	1.8
341.35995	1.2
347.29507	2.3
351.37915	0.9
401.24136	1.0
403.35760	100.0
404.35904	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.3
55.05514	4.8
56.05038	2.2
57.03441	3.2
60.04517	3.3
67.05499	8.1
69.03435	14.2
69.07069	8.9
70.06598	53.3
71.04946	3.0
71.06929	6.2
71.48326	2.3
72.08165	16.7
74.06087	4.6
79.05501	4.3
81.03413	5.3
81.07067	5.7
83.04987	4.7
84.04506	3.3
84.08138	11.5
85.02910	22.9
85.68609	1.9
86.09709	100.0
87.00820	4.2
87.04449	2.1
87.10066	3.5
88.03943	1.8
89.05970	1.7
91.05482	8.7
93.07043	4.0
95.04978	4.9
95.08609	4.9
97.02895	6.4
97.06532	3.4
98.06043	2.0
99.04442	3.1
105.01864	2.5
105.07033	3.8
107.04976	3.1
107.08601	5.7
108.08096	1.9
109.02885	4.1
109.06523	3.7
109.10169	25.4
110.06065	2.5
110.07169	2.4
111.04484	2.8
111.08094	14.1
116.07103	3.2
119.08544	4.8
120.08124	6.5
121.06496	4.1
121.10171	5.6
122.07280	2.7
123.04450	6.6
123.08097	3.8
125.09617	13.7
127.03918	9.3
129.10245	3.5
135.08080	4.7
137.06003	2.9
137.09631	35.1
138.09169	3.0
139.11208	2.6
142.69295	1.9
145.04987	4.9
145.10034	2.7
147.04411	2.3
149.09625	3.2
149.13254	2.9
150.28706	1.9
153.05434	2.1
153.09146	7.9
155.10670	3.0
156.10234	8.6
157.13387	18.8
161.05936	2.2
161.09599	2.3
163.11253	2.4
165.09158	2.9
167.10663	19.8
171.04448	2.5
173.12825	1.8
175.03906	2.1
179.10661	5.4
183.14990	3.2
185.12903	11.0
187.14464	3.9
204.14059	1.9
205.12202	4.2
207.06572	6.1
219.13441	11.8
229.15495	8.1
230.15968	2.3
241.14423	8.3
250.08502	2.2
270.56198	2.1
272.16263	2.4
372.01099	2.1
403.01276	2.7
403.14993	5.9
403.19443	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	403.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	4.2
57.03436	2.2
60.75166	2.1
67.05506	9.7
69.03442	10.5
69.07053	11.1
70.06607	82.6
70.06969	3.7
71.06908	6.2
72.08150	9.2
74.06066	2.6
79.05479	5.1
81.03420	3.7
81.07072	5.3
83.04973	6.2
84.04498	4.2
84.08130	8.4
85.02907	19.0
86.09710	100.0
87.10031	7.7
91.05468	6.1
93.07020	4.4
95.04983	3.1
95.08594	3.1
97.02882	6.5
97.06493	3.0
99.00855	2.1
105.07041	2.8
107.08590	4.4
109.02847	2.4
109.06494	4.8
109.10151	29.3
110.07170	2.5
111.04430	2.6
111.08110	14.8
115.08603	2.6
119.04884	2.7
120.08099	2.0
121.06512	3.3
121.10124	7.1
122.02773	3.2
122.07314	3.8
123.04406	3.8
123.08075	2.9
125.09644	15.4
127.03915	6.5
129.10194	3.5
135.08029	4.1
137.05930	2.2
137.09612	39.4
138.09161	3.5
139.07501	2.5
139.11183	4.7
139.14513	2.5
141.06482	2.0
142.46519	2.4
145.05037	4.9
149.09604	3.5
152.27788	2.1
153.09131	12.2
155.10635	3.2
156.10197	3.2
157.13359	11.3
161.09674	1.9
167.10667	27.5
177.12614	2.9
177.46136	1.8
179.10681	6.1
183.14914	2.4
185.12846	8.7
187.14471	4.5
205.12193	2.6
207.06419	3.5
219.13400	11.3
223.07539	4.3
223.13290	3.0
229.15466	16.3
230.15787	3.8
236.07100	2.8
241.14336	8.7
251.08876	3.4
295.10944	2.3
298.21271	2.6
300.64185	2.2
341.11295	4.2
342.11844	4.1
403.15128	4.8
403.19559	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	403.1
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28247	5.4
69.30527	52.7
70.06597	13.5
72.08158	13.5
75.97307	5.9
86.09718	9.7
115.78414	5.8
120.96711	7.2
141.89809	7.4
163.03894	10.0
359.10934	12.6
403.09286	100.0
403.13834	54.9
403.22739	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1027
Annotation	Cerarvensin
Peak:m/z	Relative Intensity
55.01878	1.8
65.03933	1.3
67.05501	1.3
67.96008	0.8
68.99799	1.6
69.03416	2.3
70.06579	1.4
70.82449	1.3
70.82791	1.9
79.01845	1.7
79.05483	1.7
81.03421	1.2
81.07054	2.0
82.68596	0.9
83.04984	0.9
84.08147	3.2
84.61445	0.9
85.02908	1.3
86.09694	1.7
91.05457	1.4
93.07073	0.9
95.04960	1.6
97.02897	1.8
105.07051	1.0
107.04980	1.1
107.08595	1.0
109.02927	1.0
109.10159	2.5
111.08156	1.1
117.30562	0.8
117.31499	0.8
119.04952	3.4
120.05711	1.2
121.02876	20.2
121.10167	0.9
125.09620	2.0
131.04927	1.2
133.10112	0.8
134.03645	0.8
137.09633	3.2
138.03082	0.8
139.99341	0.8
141.01781	0.9
145.02866	2.9
151.03914	0.9
153.01830	0.8
155.10649	1.4
163.03920	2.9
165.01851	4.2
165.09151	3.4
167.07071	1.5
175.03937	1.7
177.01828	1.5
179.03336	2.1
180.48492	0.8
181.04958	1.1
183.02937	1.1
183.10196	1.6
187.03955	2.2
191.03510	1.6
195.02943	0.8
201.11266	2.6
203.03343	1.3
205.04990	2.9
211.07527	1.2
213.05556	5.0
227.07033	2.0
229.04970	2.5
231.02919	4.9
241.04933	1.5
243.06404	1.2
247.06084	2.0
249.03983	2.7
255.06599	5.5
256.07309	9.8
267.06436	1.9
270.05035	0.9
271.06079	2.8
279.06564	3.1
281.08130	2.7
283.06036	66.9
284.06796	39.4
285.07361	2.4
295.06067	17.3
297.07602	32.6
297.10953	1.8
298.07932	0.9
305.08167	2.3
307.06241	1.4
308.06891	2.7
309.07605	13.4
311.05496	2.7
311.09201	8.6
313.07074	75.3
314.07401	2.4
315.06619	2.8
319.20755	0.9
321.07565	12.6
325.07068	10.3
337.07089	40.3
338.07364	1.4
339.08655	8.8
343.08273	11.1
349.07025	12.2
367.08154	90.5
368.08438	3.0
375.08453	1.8
385.09207	41.0
386.09601	1.7
403.10278	100.0
403.22415	4.2
404.10571	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	403.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43269	0.5
67.05482	0.7
69.07042	0.5
70.06570	0.7
71.23902	1.0
79.05434	0.6
81.07048	0.9
91.05457	0.6
93.07022	1.0
93.34226	0.6
95.08607	1.1
105.07016	0.7
115.05453	17.7
116.26423	0.6
119.08630	0.6
131.04927	20.4
132.05168	0.6
133.10156	0.7
143.04916	11.9
159.04395	2.2
168.85561	0.6
174.03171	1.2
187.03900	100.0
188.04269	1.6
202.02605	6.2
217.04967	14.8
271.17502	0.7
283.05966	0.6
285.62921	0.5
372.21164	0.5
380.17484	2.0
403.08154	16.9
403.13663	0.9
408.37811	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77605	1.4
53.57895	1.2
55.01876	3.2
59.36972	1.2
69.07059	1.4
71.48013	2.3
79.05474	2.4
81.07053	1.9
83.34101	1.4
91.05476	2.9
93.07045	1.8
95.08593	1.4
115.05457	3.4
117.07027	1.4
121.10181	1.7
128.06224	2.2
131.04935	7.4
133.10097	1.2
134.03641	10.1
143.04922	2.1
143.08578	1.4
145.06432	2.1
147.04422	9.6
155.04884	4.1
159.04436	4.6
161.02333	3.4
161.05928	1.8
164.04677	6.5
171.04391	10.1
174.03131	1.7
175.14793	1.6
175.99719	1.3
176.00978	7.5
177.05385	3.4
183.04448	4.9
185.05931	2.9
187.03941	8.3
191.03413	23.7
194.02161	1.7
197.05972	2.8
197.07741	1.3
198.03152	3.7
199.03874	2.7
201.05487	3.4
202.02606	3.0
202.07755	3.9
203.03400	3.8
203.08531	3.3
211.03860	8.2
214.02570	2.1
214.07761	2.4
215.03296	2.6
215.08574	33.8
217.04915	5.8
222.80220	1.3
226.02669	3.1
226.07890	1.5
229.04900	2.9
230.07419	1.8
231.08092	12.5
239.03400	4.5
241.04997	7.3
242.07246	4.5
243.08041	12.1
245.05925	3.9
247.07524	1.6
254.02112	2.3
258.06873	7.7
259.07501	9.9
260.08133	2.1
269.04236	2.0
271.07547	30.5
273.05502	2.6
273.09048	1.6
275.07028	2.1
277.04837	1.5
286.06262	5.1
287.07031	32.2
288.07733	4.5
289.04889	2.1
290.05618	1.8
297.05545	1.4
298.06125	6.8
299.07031	7.7
301.04999	1.7
301.08478	2.8
303.06473	3.6
304.07214	4.0
305.04514	3.2
313.04819	2.0
314.05621	8.7
315.06512	61.6
316.03687	4.8
316.07141	6.3
317.04474	6.0
318.05350	3.6
319.09631	2.4
320.06763	3.2
326.05731	3.5
327.06467	2.9
329.04526	1.6
329.07886	3.0
330.05176	1.9
331.05942	11.4
332.06845	8.2
341.04431	2.0
342.05200	19.5
343.06018	45.5
344.06512	6.6
345.03754	2.9
345.07501	2.0
347.09204	12.8
357.07623	12.6
359.05365	10.7
360.06381	11.2
370.04791	2.3
371.05453	1.7
373.09143	7.0
375.08630	100.0
376.09024	2.3
385.06842	4.7
388.05777	2.6
403.08051	28.4
403.13782	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82513	3.7
51.26958	4.9
54.30275	3.6
55.05495	14.3
65.44638	4.0
67.05505	19.1
69.07058	16.1
70.08511	16.1
71.04984	11.4
74.97216	4.0
77.56419	3.7
79.05494	28.9
81.07072	32.7
83.08616	8.8
91.05480	47.9
93.07053	53.1
95.04983	7.6
95.08621	20.2
105.07030	86.0
107.08586	38.4
109.06528	59.2
109.10159	11.2
111.08088	7.5
115.05455	9.5
116.06274	4.6
117.07025	26.9
119.08583	82.0
121.10135	19.8
123.08054	7.3
128.06204	15.3
129.06998	14.8
130.07779	11.5
131.08571	57.6
133.10126	82.3
135.08043	10.3
135.11700	16.8
137.09637	6.0
141.06973	10.5
142.07756	29.1
143.08571	46.4
144.09346	9.8
145.10130	100.0
147.08000	6.1
147.11696	19.4
149.09511	4.9
153.06943	7.1
154.07739	4.9
155.08528	25.7
156.09322	19.8
157.10141	56.4
158.10902	16.5
159.11743	35.2
161.09618	5.4
165.07031	7.5
167.08546	11.2
168.09395	6.6
169.10066	23.7
170.10944	9.2
171.11699	35.5
172.12425	4.6
173.13289	33.3
175.14827	16.0
179.08585	11.7
180.09303	6.2
181.10156	15.6
182.10863	6.7
183.11667	23.0
185.13286	14.6
186.37163	4.6
187.14856	39.5
192.09306	4.8
193.10181	14.5
194.10899	9.1
195.11755	20.0
197.13254	18.0
199.14812	21.1
201.12724	8.6
205.10110	4.6
206.10892	8.8
207.11716	12.9
209.13268	19.6
211.14827	12.6
221.13261	16.5
222.14148	4.4
223.14815	12.3
231.11539	4.9
233.13303	7.2
235.14859	7.6
237.16454	11.4
246.14116	5.4
249.16414	6.2
251.17842	5.2
252.59270	4.1
260.87317	4.1
261.16418	5.3
263.18045	6.1
265.19382	7.4
275.17981	8.3
287.17966	5.5
339.34525	5.1
383.27426	4.4
386.15533	4.7
401.13669	19.1
401.18323	36.3
401.28265	42.7
401.38120	11.2
402.14078	5.6
402.18756	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	401.2396
Annotation	Bisucaberin
Peak:m/z	Relative Intensity
55.01899	0.8
55.05521	5.7
56.05039	1.1
57.05818	1.1
63.51144	0.7
69.03435	2.4
69.07049	0.9
69.83736	4.3
70.06592	6.0
72.08160	71.2
79.05476	1.6
81.03420	0.9
81.07087	1.1
84.04493	0.9
84.08148	3.1
85.02901	2.5
86.06075	2.4
86.09710	100.0
87.10017	1.0
91.05493	2.2
93.07038	2.2
95.04984	1.1
95.56861	0.9
99.04536	0.9
107.04944	1.0
107.08590	2.0
109.06557	0.8
110.07131	0.9
111.08126	1.1
114.05546	2.3
119.08604	0.9
120.08116	1.4
121.06474	1.4
121.10123	1.3
127.03886	0.7
129.10245	1.2
133.10158	0.9
136.07631	1.2
137.09549	0.8
143.11812	2.3
149.06015	1.0
149.09595	1.3
154.08644	1.0
157.13397	1.0
171.11325	2.3
175.10764	9.1
185.16487	7.4
189.12350	3.7
191.07045	1.0
194.86676	0.8
199.14404	1.6
213.15962	5.8
227.13908	24.9
231.16975	1.9
280.81940	0.8
298.21219	2.5
326.20807	1.7
401.17197	1.7
401.21780	1.1
401.28735	1.0
402.38037	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33968	0.3
52.62918	0.3
53.03942	1.0
55.01875	0.9
55.02985	0.4
55.05520	1.9
56.05027	0.7
57.03428	0.5
61.02924	1.1
67.05507	0.7
69.03437	3.1
69.07075	2.0
70.06601	4.6
70.83259	0.6
70.83603	0.6
71.04965	0.7
72.08160	10.3
73.02929	0.6
74.06068	0.4
79.05509	0.4
81.03421	2.6
81.07061	0.7
83.04976	0.7
84.04492	0.5
84.08156	2.8
85.02912	9.0
85.06565	0.5
86.09713	26.7
87.00816	0.6
87.04482	0.5
90.03458	2.0
91.05460	1.1
95.08625	0.4
97.02906	3.5
99.00024	1.3
99.04427	0.8
105.01852	0.6
107.08575	0.5
109.02901	0.9
110.07210	0.8
119.22842	0.3
120.08144	0.7
126.01080	100.0
127.01350	0.6
127.03928	2.1
129.10246	1.4
136.07669	0.7
137.05951	0.4
143.11841	1.2
144.02142	0.7
145.04956	2.2
145.10207	0.3
146.06073	0.6
147.04419	0.7
155.03717	2.1
157.13371	0.8
167.03731	4.3
168.03215	0.8
171.11308	1.5
175.10664	0.4
185.12889	0.7
185.16489	3.4
189.12309	2.2
199.17950	0.6
209.05911	10.3
213.15981	2.6
221.05896	14.6
227.17598	0.7
231.17030	1.9
239.06958	18.7
284.19678	0.5
315.14017	0.4
357.15021	0.9
392.30643	0.4
401.09894	0.9
401.13492	1.8
401.28943	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46010	0.4
55.05272	0.7
55.05515	10.4
56.05027	0.6
56.40764	0.4
57.07074	1.6
58.06601	2.2
67.05490	1.3
69.06733	0.7
69.07076	8.5
69.49578	1.4
69.49994	1.9
70.06598	17.3
71.08629	1.1
72.08137	1.2
74.06078	1.0
81.07043	1.2
83.08624	4.5
84.08124	0.7
86.09700	1.4
87.04473	0.7
88.07638	31.2
94.21424	0.5
95.08591	0.5
97.10162	2.0
98.20868	1.0
102.09188	12.9
102.73666	0.5
104.21246	0.4
107.43546	0.5
109.10159	0.6
132.10179	1.0
146.11795	1.4
150.11217	0.8
186.15018	0.5
252.52409	0.5
294.31622	0.6
338.34183	29.3
339.34473	0.9
355.13760	0.4
382.36816	1.9
400.37888	100.0
401.38162	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.0098
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65856	1.6
56.96344	1.2
56.96574	9.9
65.48155	1.3
71.47074	2.4
71.95272	1.4
85.60967	1.5
94.15613	1.5
98.97590	100.0
100.97186	2.2
116.98637	49.4
134.99672	13.5
160.03941	1.5
172.94348	2.2
177.01045	2.6
219.01974	3.8
220.02090	1.9
230.41869	1.4
234.99898	2.9
240.98839	4.8
253.30231	1.6
256.96536	5.2
258.99802	71.7
260.00070	3.0
261.00104	2.0
261.03122	5.3
262.03320	1.7
263.02991	3.8
263.59091	1.5
274.97519	28.6
275.97968	3.0
276.97540	5.5
277.00836	63.6
278.01083	3.1
279.00696	1.6
283.00043	16.9
284.00055	3.2
284.99890	5.7
292.98566	11.6
294.98428	1.6
301.01059	16.1
302.00809	1.6
303.01169	3.4
316.99142	2.0
339.15161	1.7
359.03268	1.9
383.00107	6.0
401.01147	24.3
402.01163	1.7
418.97824	4.7
419.02533	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	400.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.4
55.05527	5.3
55.05734	1.0
56.05032	2.6
56.96562	1.9
58.06598	3.0
64.40219	1.1
67.05511	1.6
69.03458	1.5
69.44472	8.8
70.06597	27.6
72.08159	100.0
81.07056	5.8
83.08617	2.1
84.07698	1.9
84.08150	20.7
85.02894	3.2
85.07668	8.7
86.09706	1.9
89.03933	1.2
96.08167	1.9
97.02883	2.6
97.06518	1.5
98.09704	15.3
98.97607	2.0
101.10773	1.1
107.04923	1.2
108.08120	1.7
109.06530	4.0
110.08913	2.5
110.09682	42.5
112.07580	1.7
112.11254	15.4
115.12335	7.6
121.06503	2.5
122.09787	1.2
124.07532	2.0
126.09103	1.1
127.12337	7.3
129.10281	1.5
129.13905	3.8
132.39890	1.0
135.04414	1.2
136.06166	3.0
136.07510	1.8
138.09132	1.9
140.14330	5.2
152.07132	1.4
152.14352	29.9
155.11755	2.5
156.14970	4.1
157.17004	22.7
163.03940	5.4
166.08617	2.2
167.07072	1.4
175.19408	1.1
178.08655	1.7
178.12209	2.5
180.06487	1.2
184.08234	1.3
184.09627	5.4
193.34055	1.0
194.11763	10.9
195.12578	2.3
206.11803	3.7
222.11255	8.8
224.12807	4.1
226.22792	81.9
227.23024	1.7
236.12823	1.5
245.05241	1.4
254.13820	3.6
259.14636	1.4
260.12927	1.7
265.19135	2.9
277.15506	2.4
278.13898	4.3
282.21820	1.6
293.14883	2.7
294.13120	2.6
295.16495	2.7
296.14819	5.3
310.21249	1.5
311.15988	5.2
313.17490	3.0
314.15854	1.8
322.21143	3.5
340.22382	1.2
346.21387	7.2
364.22357	8.2
382.23407	18.5
383.21872	4.3
400.24457	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	400.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22007	7.7
51.33967	7.8
51.80452	5.8
52.28883	7.3
53.22358	7.2
60.04504	9.3
63.88397	7.1
69.60148	44.7
70.06573	11.5
70.43432	7.4
72.08140	12.7
84.08171	8.7
91.05492	8.4
93.07063	8.8
98.20783	15.4
107.08569	10.2
118.37888	7.6
145.09311	7.6
147.04355	19.1
166.91934	7.5
203.03377	100.0
266.62015	7.4
381.09399	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	400.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18201	1.2
54.85403	1.4
55.05510	4.5
56.05037	2.7
56.96561	6.4
58.06615	1.9
69.07076	1.7
70.06600	21.0
70.51236	3.3
70.51594	2.4
72.08160	100.0
81.07057	7.4
81.78001	1.4
82.48849	1.3
83.08625	2.6
84.08154	21.1
85.02879	2.3
85.07675	7.6
86.09709	20.8
87.04507	1.5
93.07058	1.7
97.02888	3.4
98.09690	12.9
98.97595	12.5
101.00893	1.9
108.08185	1.4
109.06529	4.7
110.09684	32.6
110.97580	2.0
112.11247	12.3
113.07131	2.4
115.12370	6.9
116.98634	3.2
119.01929	2.8
119.04923	1.5
121.06473	2.1
122.09647	1.4
126.09151	2.9
127.12356	4.5
127.75085	1.2
129.13889	2.3
130.93370	1.6
132.10199	11.1
136.06233	3.0
136.07565	2.0
136.70396	1.4
138.09151	3.1
140.14351	5.0
145.02846	1.5
152.07080	1.4
152.14348	22.0
155.11818	2.2
155.15424	1.5
156.15018	9.2
157.17015	21.6
163.03918	6.7
166.08659	5.0
172.94333	4.0
178.12315	2.4
180.34485	1.3
184.09724	3.2
190.95419	2.2
193.11043	2.2
194.11761	14.1
195.12531	1.7
203.05858	1.6
206.11848	3.2
209.20137	2.3
211.14473	1.7
219.01860	1.4
222.11266	19.1
224.12863	2.8
226.22789	56.7
227.23425	1.8
237.02937	1.8
254.13838	3.1
256.04977	1.9
256.96686	1.7
260.12762	2.8
264.18201	2.4
265.19104	3.2
274.97519	6.3
278.13663	2.2
281.20944	3.2
282.21732	5.2
288.54544	1.4
291.16928	2.0
292.98773	3.7
293.15015	3.1
293.18451	2.4
294.13339	1.9
295.16531	3.2
296.14902	4.7
300.07709	2.2
304.04077	2.5
305.04034	1.6
310.21368	2.7
311.16049	7.6
313.17535	4.6
314.15906	2.1
322.21359	1.8
346.21301	3.4
364.22327	8.8
365.20718	1.7
382.23367	23.5
383.21805	5.6
400.09357	3.8
400.24408	24.5
418.12851	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	400.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.1
55.05513	0.5
56.05035	0.4
56.96554	0.9
57.03446	1.7
58.06600	0.4
58.18605	0.3
61.02926	0.3
68.05005	0.2
69.03432	2.9
70.06597	4.3
71.01347	0.3
72.08160	9.1
73.02904	1.1
79.05513	0.4
80.92475	0.2
81.03419	0.5
81.07057	0.7
83.08628	0.4
84.08157	2.4
85.02899	1.9
85.07660	0.6
86.09695	0.7
89.03922	0.6
94.04055	0.6
95.04935	0.3
97.02907	1.9
98.09682	1.1
98.21482	0.4
98.97598	0.8
99.04481	0.3
101.07077	0.3
102.05570	0.5
107.04910	0.4
109.02902	0.3
109.06544	0.3
110.07187	0.4
110.09691	3.0
110.97573	0.3
112.11269	1.3
113.07007	0.4
115.03941	1.1
115.12314	0.5
116.98605	0.3
119.03569	1.6
127.03903	0.5
127.12270	0.4
129.10239	0.5
133.02867	0.4
133.04968	0.9
134.09662	0.4
135.04427	1.8
136.06195	100.0
137.04596	0.6
137.06659	0.6
140.14336	0.4
144.98096	0.2
145.02823	0.6
152.10681	0.5
152.14340	2.0
155.11864	0.3
156.15034	0.5
157.17039	2.0
163.03894	2.5
166.08662	0.4
178.07280	0.3
184.09712	0.3
194.11685	1.2
201.68195	0.2
202.33260	0.2
208.99648	0.2
219.01819	0.3
222.11276	0.7
224.12839	0.3
226.22783	5.2
237.00653	0.3
237.02812	0.3
240.00011	0.4
255.01926	0.3
260.12906	0.3
268.10437	7.8
269.10672	0.3
282.21814	0.3
286.82257	0.2
293.14996	0.3
310.54971	0.2
311.16168	0.6
313.17523	0.3
314.15967	0.3
346.21341	0.4
364.22345	0.7
382.23520	1.5
383.22147	0.3
400.14841	3.4
400.24338	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	400.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86143	0.4
55.01888	0.6
55.05529	0.7
69.03438	1.6
69.32392	3.0
70.06586	2.5
72.08161	2.4
73.02937	0.5
77.03943	0.5
79.05511	2.0
80.90692	0.4
81.03436	1.6
81.07076	1.2
83.04997	0.5
84.04545	1.1
84.08169	0.8
85.02906	3.4
86.09715	1.3
87.00840	1.4
91.05489	3.6
93.07074	0.7
97.02918	1.3
98.20673	0.8
102.05562	0.9
105.03419	0.6
105.07045	0.9
106.06561	5.7
109.02899	1.3
109.06575	0.9
110.09714	0.9
116.04988	4.2
120.08128	0.5
121.06498	0.6
127.03920	1.8
130.05003	1.2
134.06024	100.0
135.06352	1.5
135.08064	0.5
145.05000	0.5
146.06047	0.6
147.11766	0.5
148.06044	0.9
148.07590	1.6
152.07072	65.6
153.07430	0.8
167.07094	0.6
176.07098	0.5
226.22697	0.6
260.09158	0.5
268.10919	0.4
283.36789	0.5
304.37378	0.5
364.10208	1.1
401.21365	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
53.91292	0.7
55.01877	1.3
57.03440	6.1
61.02930	2.0
69.03429	8.2
70.06599	11.6
71.04983	1.6
71.30450	1.6
72.08144	3.9
73.02917	3.2
73.77398	0.9
75.04491	1.3
81.03416	4.1
85.02908	26.9
86.09698	2.2
87.04455	1.5
88.55331	0.8
95.05006	1.0
97.02897	10.3
99.04472	2.8
100.67599	0.9
103.03972	2.9
103.05472	48.9
105.07033	1.0
109.02869	4.4
115.03945	1.6
117.05499	1.7
127.03942	5.4
129.10239	1.1
130.04128	1.4
131.04933	100.0
132.05296	0.9
133.06491	1.0
139.61414	0.8
145.04945	4.7
145.06534	1.0
147.04523	1.0
148.05199	13.6
160.05171	0.9
161.06027	4.2
162.06709	1.1
163.07545	47.6
169.13380	2.3
183.14899	2.0
197.12936	1.6
201.09158	2.1
211.14473	1.6
224.56313	0.9
237.11026	1.2
300.19162	1.7
399.16183	1.1
399.26147	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1269
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	1.0
56.96567	3.1
58.06600	0.7
60.95856	0.7
69.03431	1.1
70.06588	4.5
71.47659	0.9
72.08155	3.8
82.02885	0.5
84.04505	0.9
84.08145	1.4
85.02910	1.5
95.04956	0.6
97.02905	4.3
98.09662	0.6
98.97598	2.5
100.11260	6.2
102.05549	1.6
102.10807	0.6
103.05487	0.6
107.04942	0.6
110.07166	1.2
110.09702	0.7
110.97626	0.9
115.02094	0.5
116.98606	1.1
117.05710	0.7
123.04485	0.7
124.71528	0.6
128.98607	1.3
130.08932	0.6
132.08170	0.6
135.04384	1.0
136.06194	8.1
137.02365	1.2
141.66348	0.6
143.00177	0.9
147.04405	1.0
163.03949	2.6
163.08650	0.5
164.07079	0.7
175.00702	0.6
179.03423	1.1
179.64871	0.5
193.01788	0.6
193.75443	0.5
194.97432	0.6
201.09459	0.6
207.97502	0.6
211.07202	0.9
218.99779	0.8
219.01808	1.7
234.99065	1.0
237.00734	1.5
237.02808	1.5
237.07556	0.6
237.11537	1.6
241.00064	0.7
243.01961	0.8
250.09302	4.0
255.01709	3.2
259.01123	1.6
271.75397	0.6
273.02768	3.1
280.59662	0.6
293.14932	0.8
295.16498	1.7
297.02927	1.8
321.14508	1.7
328.11340	0.6
339.15698	0.8
355.18753	2.5
381.16406	3.6
384.35696	0.6
399.12659	100.0
400.12714	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68929	0.7
52.99670	0.8
53.03938	2.1
55.05504	2.3
57.07080	1.3
60.04533	4.4
62.66534	0.6
63.36747	0.7
67.05508	8.2
69.07058	2.0
71.48895	1.1
79.05481	4.2
81.07063	10.1
83.08607	1.4
86.06046	0.7
91.05470	5.9
93.07047	11.3
95.04970	1.6
95.08605	7.0
97.06528	0.7
103.05492	4.7
105.07027	1.0
106.37278	0.7
107.08592	2.6
109.10146	3.5
119.08591	1.6
121.06511	100.0
121.10152	2.0
122.06770	1.0
123.11694	1.3
133.10124	1.4
135.11655	0.9
136.07578	2.8
138.09143	26.0
142.12302	1.0
142.60927	0.7
145.10179	1.0
147.11758	0.8
149.13235	1.3
153.06480	0.7
161.13272	0.8
163.14772	0.6
173.13284	1.3
179.07628	0.7
217.49985	0.7
243.21065	1.1
261.22144	1.4
262.18140	0.8
290.21164	1.1
300.28958	1.4
398.30655	9.6
398.36349	2.0
399.30869	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80254	2.3
55.01866	6.9
55.05505	3.5
56.05031	2.9
57.03442	17.3
58.53746	2.1
59.05019	2.3
60.04533	2.5
61.02929	12.2
69.03432	31.0
69.07072	32.2
69.19781	14.4
69.20209	7.1
70.06597	27.5
71.01364	4.9
71.04980	5.2
72.08169	11.9
73.02516	3.9
73.02926	73.7
76.12618	2.7
81.03429	7.8
81.07048	3.7
84.04500	4.0
84.08154	14.2
85.02913	100.0
86.09711	14.8
87.04488	3.6
91.03971	2.3
95.08604	2.5
97.02298	3.8
97.02901	54.8
98.20801	4.4
99.04474	4.3
99.08115	2.3
103.03937	3.5
107.04987	2.5
109.02885	9.9
110.07179	10.7
111.08119	5.4
115.03948	30.2
119.04940	4.5
120.08110	4.3
121.06474	2.9
123.08083	3.7
124.07656	2.9
127.03916	33.1
129.06721	2.2
129.10210	5.2
131.04874	2.1
132.08083	3.3
133.04973	45.0
145.04961	54.6
147.04419	12.0
150.07677	3.1
156.07744	3.7
163.03912	3.1
163.06053	27.7
187.04015	3.3
199.05962	2.4
217.07155	2.7
223.06075	7.9
236.12837	4.2
241.07181	11.0
259.08130	17.7
277.09183	4.1
295.10303	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	398.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.8
55.01865	6.3
55.05510	3.9
55.84072	2.2
57.03444	17.8
60.04514	4.2
61.02930	13.5
64.44630	2.0
69.03436	35.0
69.07068	33.0
70.06600	34.7
71.01355	4.1
71.04996	2.9
71.06911	2.3
72.08157	17.3
73.02921	67.2
73.06542	2.1
79.05502	2.7
81.03416	5.8
84.04502	3.3
84.08163	12.8
85.02911	100.0
85.08433	2.6
86.09708	12.5
87.04458	3.0
91.03958	6.0
91.05455	5.1
93.07040	3.6
95.04967	2.5
95.08601	2.9
97.02896	63.4
97.06561	2.7
99.04436	5.6
106.42054	2.5
107.04984	3.0
109.02902	11.0
110.07161	7.7
111.04467	2.9
111.08118	3.5
115.03943	28.8
119.04972	3.3
119.08500	2.5
120.08097	5.2
122.21916	2.4
123.08082	2.5
124.07578	2.9
127.03922	30.4
129.10248	5.7
132.08075	4.3
133.04971	44.1
133.05978	2.8
136.07605	4.2
145.04956	55.9
147.04434	20.4
150.05582	2.4
163.03964	2.7
163.06059	27.3
167.08467	2.2
186.08807	2.6
193.04991	3.0
194.07965	2.4
201.11166	3.0
223.06029	7.1
236.12846	6.4
241.07083	8.3
259.08093	15.5
295.10202	8.3
373.16226	2.5
398.13385	2.7
399.12628	5.2
400.65369	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	11.1
62.06207	9.0
71.49171	10.4
75.69815	9.7
77.48873	9.8
83.04983	91.1
97.29417	9.8
149.02374	22.0
158.41920	9.4
163.03877	71.9
193.05092	18.0
203.03357	35.6
207.06557	100.0
398.13577	33.5
398.36313	11.8
399.10577	98.9
412.01779	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	397.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	8.4
67.05505	3.4
69.03442	4.9
69.46243	5.9
79.05488	2.8
81.07048	2.3
83.04987	0.9
84.08142	1.4
85.06549	34.9
91.05490	11.7
93.07034	2.9
95.04989	1.3
95.08630	2.7
99.04479	5.3
103.05478	1.1
105.07043	2.3
107.08613	6.4
111.04511	0.9
115.05479	1.0
117.07044	3.1
119.08590	100.0
127.02985	1.2
127.03931	22.5
131.04948	2.3
133.06505	1.7
135.08087	5.5
146.45552	0.9
147.04420	9.0
149.09724	0.9
156.09354	1.3
159.04431	3.5
159.11797	1.1
163.07629	4.7
175.03961	1.8
193.86320	1.2
195.10152	1.1
203.03410	33.1
215.03409	1.8
283.09033	1.0
397.26877	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2083
Annotation	Lys Tyr Ser
Peak:m/z	Relative Intensity
56.05037	3.7
60.59161	0.3
65.03936	0.4
65.79256	0.3
67.05501	0.8
69.53675	0.7
69.54083	1.5
70.06593	2.0
71.29125	0.3
72.08165	1.2
82.06590	0.6
84.04491	0.3
84.08144	100.0
85.02910	0.6
85.06543	0.6
85.08491	0.5
86.06025	0.3
86.09711	2.1
91.05473	2.1
98.06066	0.3
98.20803	0.3
101.10776	3.9
102.09201	0.8
107.04939	0.7
110.07203	0.6
111.09220	1.1
112.07588	0.5
119.04944	1.7
121.06492	2.0
127.08687	1.1
129.10243	48.5
133.50821	0.3
135.06792	0.6
136.07582	14.5
147.04437	1.9
150.09111	0.4
151.08705	0.4
163.03926	0.4
202.12303	1.5
235.05904	0.4
247.14432	3.9
264.17010	0.6
269.11298	2.9
274.15533	1.9
275.13922	2.0
292.16547	5.7
310.17499	0.6
347.19589	0.8
353.24371	0.4
362.16983	0.5
379.19196	0.9
380.18008	1.3
397.15829	0.6
397.20694	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	397.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	7.4
67.05507	11.8
68.99811	5.9
69.03423	19.0
70.06580	20.6
71.04988	6.1
71.48466	6.1
72.85020	5.4
79.05503	12.5
80.07337	5.3
81.03415	11.3
81.07047	17.4
84.08120	24.5
85.02900	16.0
86.09706	14.2
91.05477	19.7
91.77753	5.4
93.07043	24.2
94.58385	5.5
95.04988	9.6
95.08619	14.4
96.22594	5.2
97.02863	11.1
99.04401	7.4
103.03957	7.3
105.07021	22.0
107.04931	8.2
107.08593	10.1
109.10165	9.4
109.68163	5.7
114.96486	6.4
115.05468	11.5
117.07051	6.0
119.04960	10.0
119.08580	14.4
121.06556	10.4
121.10139	22.6
123.23781	6.6
125.06020	7.2
125.09597	6.5
127.03899	9.6
129.10199	9.6
131.04877	16.8
133.06488	19.0
135.08037	7.8
136.07579	6.3
137.06010	60.9
145.10112	10.0
147.11646	8.1
149.05959	5.7
149.09637	8.3
151.03955	6.2
151.07521	12.0
153.01805	10.9
159.08109	6.6
161.05983	11.6
161.09628	7.7
163.07564	7.2
165.05482	11.2
166.09572	6.2
169.10088	7.3
173.06004	14.5
174.03110	9.4
177.05513	17.8
177.43896	5.6
180.72095	6.4
182.07234	8.0
185.09659	7.4
187.07512	6.2
189.05342	8.9
191.07027	12.3
193.05005	11.7
197.09636	6.1
198.06758	7.1
202.02579	22.1
203.07100	9.3
211.07567	6.2
213.09189	7.7
215.07060	9.0
215.10667	6.4
215.14372	6.2
217.04965	100.0
221.74603	5.5
225.05435	12.7
225.09087	11.7
229.05136	7.0
235.06061	17.8
237.25742	6.1
243.10191	10.9
273.11322	29.9
276.07895	6.3
279.06635	6.0
283.06091	23.3
295.05820	6.2
317.11536	6.9
323.09012	12.2
333.07556	6.3
353.14218	7.4
354.14484	10.3
379.07889	11.6
379.15280	8.6
397.09146	21.4
397.16705	54.7
416.21512	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	397.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	3.1
56.05041	2.1
56.24902	1.6
57.02357	2.1
57.80108	1.6
61.00696	1.6
63.85574	1.5
66.90900	1.7
67.05504	2.4
69.03422	4.6
69.07072	2.1
69.37959	1.4
70.06596	9.8
70.28044	7.1
71.10915	1.8
71.85564	1.7
72.08150	2.8
81.03426	2.7
81.07057	4.0
84.04501	2.1
84.08152	15.9
85.02898	6.1
86.09708	8.3
91.05481	6.0
93.07059	2.5
95.04974	2.1
95.08621	2.5
97.02908	2.9
97.06562	1.6
98.21462	2.3
107.08615	2.7
110.07163	2.0
115.05465	9.0
117.07024	3.2
119.04864	1.6
120.08123	6.7
129.10231	7.3
131.04942	9.5
131.08533	2.8
136.07582	4.8
137.05945	2.3
143.04964	2.1
147.04369	2.5
161.05984	3.7
163.03937	2.5
173.06000	6.5
174.03154	7.8
176.04636	2.1
178.02498	2.1
189.05530	6.4
191.06990	3.5
193.04982	9.9
202.02632	32.3
215.03343	1.8
217.04974	100.0
229.04988	6.0
235.06049	17.0
259.06091	4.1
295.06033	3.5
379.07727	2.1
386.98480	2.2
397.16650	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78259	0.6
53.03947	0.8
53.81324	0.6
55.05261	0.5
55.05512	11.5
56.05045	4.3
57.07080	2.8
58.02953	0.6
60.04527	100.0
65.03938	0.7
67.05505	12.7
68.05025	1.3
69.07074	7.4
70.06586	1.4
70.78563	1.6
71.04997	0.7
71.08650	1.3
72.04509	3.8
73.02921	1.0
74.06082	1.9
79.05496	6.5
80.05033	1.3
81.07058	14.6
82.06593	2.6
83.04967	0.8
83.08621	8.5
85.10191	0.8
85.83447	0.6
90.05569	1.2
91.05491	4.8
91.61931	0.7
92.54837	0.6
93.07043	5.6
94.06571	2.0
95.08607	9.3
96.08126	1.4
97.10191	2.5
98.09721	1.3
100.07644	0.9
105.07074	2.2
107.08587	2.8
107.37743	0.6
108.08180	0.7
109.10170	3.2
111.11725	0.6
112.07590	1.5
112.11272	1.6
116.07090	0.9
119.08599	2.0
121.10150	3.0
122.09680	0.9
123.11708	1.7
124.11215	1.3
126.09147	0.9
133.10138	1.2
135.11717	2.1
136.11255	0.7
140.10722	1.6
142.12274	34.1
143.12553	0.6
145.10175	0.7
152.56540	0.6
154.12262	0.7
162.56812	0.6
166.42163	0.6
245.22499	0.9
250.25314	2.2
251.23698	1.7
262.25394	1.7
263.23740	0.8
268.26398	1.5
280.26376	20.8
281.26718	1.0
298.27417	26.5
317.97995	0.7
343.10925	0.7
378.33759	3.1
380.02121	0.7
396.34735	42.2
397.35382	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	12.0
57.07084	25.2
60.65963	3.6
67.05512	27.2
69.07076	28.0
69.29645	3.4
69.73500	3.4
71.08640	22.0
76.76864	3.6
79.05521	18.5
81.07070	68.4
83.08636	9.2
85.10194	12.8
89.06104	3.8
90.67520	3.2
91.05488	26.9
91.26192	4.0
93.07048	18.6
95.08620	45.4
97.10175	12.3
105.07053	37.5
107.08618	17.1
109.10141	26.9
111.11721	11.9
117.07030	15.7
119.08593	10.7
121.10088	8.1
123.11725	8.9
131.08582	23.2
133.10129	31.5
135.11758	7.5
137.13304	6.3
143.08571	9.0
145.10143	62.7
147.11708	26.5
149.13199	5.6
151.14835	4.6
157.10168	9.6
158.62242	4.6
159.11693	46.7
161.13332	11.2
171.11729	7.5
173.13287	13.2
175.14839	9.4
185.13368	5.4
187.14798	6.7
199.14870	12.2
213.16505	5.3
227.17892	4.3
241.19392	4.6
347.04538	4.1
388.15787	4.3
395.28949	6.1
395.36826	100.0
396.37070	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	395.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.6
55.01881	6.7
55.05524	25.1
56.05035	9.3
67.05500	17.9
67.23640	5.7
67.86308	5.3
69.03420	30.3
69.07068	12.9
70.06591	66.6
70.69864	4.7
71.05001	11.7
71.06925	5.4
71.27070	5.4
71.47892	6.7
72.08170	39.1
73.02917	5.5
74.06094	7.0
79.05541	7.4
80.70770	5.3
81.03403	13.3
81.07059	13.4
83.04987	16.1
83.08627	7.6
84.04502	15.1
84.08147	58.5
85.02901	31.6
85.06561	17.1
86.09711	50.8
87.00850	8.8
91.05495	13.4
93.07063	13.4
95.04999	8.1
95.08611	44.6
97.02889	9.9
97.06554	5.4
98.06057	7.8
99.04435	6.8
101.06054	5.3
105.07045	15.4
107.04990	8.8
107.08591	12.2
109.02895	10.1
109.10174	20.3
110.07214	10.1
111.08075	7.2
113.09657	100.0
116.07169	5.4
119.08611	15.1
120.08164	25.9
121.10155	16.6
123.08124	10.1
125.09652	11.9
127.03940	16.2
128.00801	16.4
129.01096	9.5
129.09125	15.8
129.10280	17.0
131.10675	28.2
132.04475	6.4
135.08026	4.9
135.11693	9.0
136.07585	19.9
137.02374	6.4
137.09691	6.2
139.11203	6.1
141.10251	5.4
146.01823	18.4
147.02208	6.5
147.04439	9.4
149.06039	6.7
153.12787	12.0
155.10693	9.8
161.13309	13.0
165.05496	6.8
176.93962	5.1
179.14334	12.1
185.07103	6.0
197.15370	59.6
200.09221	5.4
203.02216	11.8
215.16434	40.6
220.26534	4.8
233.17448	28.5
237.12465	5.9
243.02896	6.0
271.07184	6.5
289.05255	5.8
299.06143	5.8
309.07629	10.0
311.05548	20.8
323.05603	12.9
324.06296	7.7
325.54941	6.7
331.09265	6.6
339.08673	7.8
359.08972	7.7
363.11676	6.7
367.08215	22.3
395.07733	63.6
395.14243	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	395.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.6
55.01881	6.7
55.05524	25.1
56.05035	9.3
67.05500	17.9
67.23640	5.7
67.86308	5.3
69.03420	30.3
69.07068	12.9
70.06591	66.6
70.69864	4.7
71.05001	11.7
71.06925	5.4
71.27070	5.4
71.47892	6.7
72.08170	39.1
73.02917	5.5
74.06094	7.0
79.05541	7.4
80.70770	5.3
81.03403	13.3
81.07059	13.4
83.04987	16.1
83.08627	7.6
84.04502	15.1
84.08147	58.5
85.02901	31.6
85.06561	17.1
86.09711	50.8
87.00850	8.8
91.05495	13.4
93.07063	13.4
95.04999	8.1
95.08611	44.6
97.02889	9.9
97.06554	5.4
98.06057	7.8
99.04435	6.8
101.06054	5.3
105.07045	15.4
107.04990	8.8
107.08591	12.2
109.02895	10.1
109.10174	20.3
110.07214	10.1
111.08075	7.2
113.09657	100.0
116.07169	5.4
119.08611	15.1
120.08164	25.9
121.10155	16.6
123.08124	10.1
125.09652	11.9
127.03940	16.2
128.00801	16.4
129.01096	9.5
129.09125	15.8
129.10280	17.0
131.10675	28.2
132.04475	6.4
135.08026	4.9
135.11693	9.0
136.07585	19.9
137.02374	6.4
137.09691	6.2
139.11203	6.1
141.10251	5.4
146.01823	18.4
147.02208	6.5
147.04439	9.4
149.06039	6.7
153.12787	12.0
155.10693	9.8
161.13309	13.0
165.05496	6.8
176.93962	5.1
179.14334	12.1
185.07103	6.0
197.15370	59.6
200.09221	5.4
203.02216	11.8
215.16434	40.6
220.26534	4.8
233.17448	28.5
237.12465	5.9
243.02896	6.0
271.07184	6.5
289.05255	5.8
299.06143	5.8
309.07629	10.0
311.05548	20.8
323.05603	12.9
324.06296	7.7
325.54941	6.7
331.09265	6.6
339.08673	7.8
359.08972	7.7
363.11676	6.7
367.08215	22.3
395.07733	63.6
395.14243	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	394.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68992	4.1
53.03944	4.2
55.01874	8.0
55.05507	13.6
55.98705	3.6
56.87464	3.7
56.99070	4.0
57.03431	3.8
66.08796	3.9
67.05502	20.0
69.03456	18.2
69.07080	26.2
70.06590	15.4
71.05000	8.0
71.48634	6.1
72.08157	7.7
73.02917	5.2
79.05496	15.2
81.03422	17.0
81.07066	53.8
83.04961	7.9
83.08614	11.3
84.08128	7.2
85.02909	45.6
85.06551	14.8
86.09721	7.3
87.00844	13.8
91.05480	21.2
93.07037	22.6
94.89636	3.8
95.08613	61.8
97.02906	15.2
97.06555	19.9
97.10167	7.9
99.04456	7.0
99.08115	5.9
100.29707	3.7
105.01867	14.2
105.07047	22.3
106.07365	5.3
107.08595	12.3
109.02876	11.6
109.06559	7.0
111.08080	5.7
119.08603	28.1
120.08109	7.0
121.10122	14.1
123.08065	7.0
127.03921	18.9
133.10120	21.3
135.11696	18.1
137.09558	6.5
137.13268	18.1
142.06558	4.5
145.10092	4.5
151.11157	3.7
161.13272	80.9
162.13513	4.1
169.20001	3.9
175.03967	6.1
176.04205	4.9
179.14319	100.0
193.20845	3.5
197.15361	33.3
198.49434	3.3
231.10065	4.4
232.10512	14.0
237.15063	5.0
244.22850	6.6
245.55286	3.5
249.44194	4.2
271.16501	3.7
323.14948	6.2
341.15665	5.1
391.23056	4.1
394.13739	4.6
394.24707	5.2
394.31497	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.1
53.78244	3.5
55.01859	4.1
55.05499	17.8
57.07076	15.9
61.71574	3.8
65.03949	6.2
67.05511	38.9
69.07071	25.3
71.08630	7.6
78.30233	3.5
79.05508	47.6
81.07059	76.0
83.04966	4.3
83.08624	9.7
91.05485	70.6
93.06482	7.7
93.07041	74.6
95.04975	55.5
95.08615	64.2
97.06551	7.2
98.98465	8.4
101.70074	4.3
103.05463	5.9
105.04518	6.2
105.07040	100.0
106.07366	6.2
107.08604	48.9
109.06530	13.0
109.10162	27.2
112.99990	15.0
115.05478	6.9
116.06248	5.5
117.07040	24.5
119.08591	94.4
121.06503	20.7
121.10139	42.4
123.08067	6.9
123.11707	11.8
128.06224	16.1
129.07019	24.3
130.07817	5.9
131.08591	47.1
133.07814	4.3
133.10133	58.2
135.08054	7.3
135.11647	14.6
137.09618	6.5
141.06978	9.6
142.07802	25.6
143.08563	38.0
144.09282	7.6
145.10143	74.7
147.11710	32.4
154.07681	4.6
155.01018	16.1
155.08557	19.5
156.09331	16.0
157.10155	63.0
158.10910	5.6
159.08083	7.5
159.11710	43.6
160.11995	4.0
161.09648	17.7
161.13341	7.1
163.11166	7.1
165.06995	4.5
167.08594	11.1
168.09373	5.6
169.02643	18.8
169.10081	20.2
170.10858	10.7
171.11690	26.7
173.13271	25.3
175.11154	8.1
175.14838	19.6
179.08487	9.7
181.10101	12.6
182.10883	10.7
183.11703	17.4
185.13226	10.9
187.11081	6.8
187.14867	6.5
193.10121	6.5
194.10869	6.2
195.11655	9.1
197.13310	20.2
198.13898	4.7
199.14749	5.9
201.16475	9.4
207.11710	7.0
209.13271	12.9
211.14873	11.1
213.16272	6.9
219.17427	5.3
223.14937	6.0
225.16408	6.5
234.75691	4.7
239.17740	4.1
249.16452	4.2
253.15883	6.4
304.26208	6.4
375.26654	7.6
393.20316	4.7
393.27762	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53054	0.3
53.38589	0.3
55.01861	0.4
55.05513	1.7
56.05027	0.8
57.07075	0.3
58.06356	0.3
58.06602	1.8
59.07379	0.7
60.08168	13.2
67.05525	1.5
68.56735	0.3
69.03436	0.4
69.07065	1.2
69.07388	0.3
69.14974	2.8
70.06588	2.2
71.02491	0.2
71.04984	0.6
72.08151	3.2
73.06555	0.9
74.02450	0.3
74.06058	0.4
77.03896	0.4
81.03419	0.5
81.07075	0.3
84.04449	0.3
84.08148	33.9
85.02895	0.6
85.06561	2.2
86.09707	3.1
86.66989	0.2
91.05482	1.1
93.07060	0.6
95.04960	0.3
96.08148	0.4
97.02911	0.3
97.06544	0.7
98.20811	0.7
98.97595	0.4
99.04429	0.3
100.11265	9.5
102.09182	1.1
103.05485	2.0
103.37489	0.2
105.07025	0.7
109.02877	0.4
114.12833	0.8
115.05449	0.8
116.05820	0.5
117.05775	0.3
117.06951	0.3
117.13979	0.3
118.06553	0.3
120.08111	80.2
121.06547	0.3
121.08455	1.1
127.03951	1.0
127.11202	1.7
129.10260	0.9
130.06592	0.4
130.08644	13.8
131.04932	0.7
131.08743	0.2
132.05267	0.3
132.08061	0.6
133.06476	0.3
133.10086	0.3
138.07899	0.3
143.04926	0.4
143.08594	0.3
144.13826	2.5
145.06509	0.4
145.12291	0.3
146.06117	0.4
147.04370	0.4
147.07951	0.3
149.05934	0.3
151.08760	0.5
152.09489	1.0
161.06012	0.7
161.09642	0.9
163.03937	0.3
171.08150	0.3
173.06012	0.4
174.19304	0.3
175.14441	1.4
177.10278	13.6
181.12186	0.4
187.03912	1.7
188.04259	1.5
189.04541	1.2
189.09157	0.9
189.15982	7.0
191.07074	0.4
191.11801	0.4
203.10725	0.8
205.08368	2.6
214.08600	0.3
215.15509	0.5
217.08566	1.3
230.11852	0.6
231.10175	0.9
233.08188	0.3
233.16521	0.4
242.11766	0.3
243.15038	0.8
255.14709	0.3
258.11380	0.3
272.17712	0.3
277.15494	0.7
348.18161	1.2
365.24637	0.3
375.23935	1.3
393.24802	100.0
394.25085	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1547
Annotation	5,4'-Dihydroxybibenzyl 2-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03906	0.4
55.01852	0.3
58.48321	0.3
67.05510	0.5
68.99781	1.9
69.07057	0.9
69.27121	2.7
70.06584	0.5
79.05499	1.2
81.03431	0.8
81.07068	0.7
84.08125	0.4
85.02914	0.9
91.05486	3.2
92.76577	0.3
93.07042	0.5
95.08623	0.6
97.02871	0.5
97.06527	0.7
99.04475	0.4
103.05468	3.9
105.06996	0.5
107.04968	1.3
107.08614	0.4
109.02859	0.4
109.10097	0.4
119.04934	3.2
120.08107	0.4
125.09605	0.4
127.03908	0.7
131.04892	0.4
133.02818	0.6
133.06514	0.3
135.04405	0.4
135.11757	0.3
145.06505	0.4
147.04410	4.8
175.03918	67.7
176.04701	3.9
187.03961	0.6
189.05463	1.2
213.64334	0.3
227.16656	0.3
231.10175	100.0
232.10526	1.4
274.77332	0.3
393.13812	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.6
54.18074	0.3
55.01868	0.5
55.05506	0.8
59.01468	0.3
61.21886	0.4
64.75208	0.3
65.03966	0.3
67.05510	2.4
67.18348	0.3
68.99799	2.1
69.03443	2.4
69.07072	1.5
69.10156	0.3
70.06586	0.7
71.04985	0.7
71.49068	0.6
71.49426	0.3
79.05512	2.3
81.03423	2.6
81.07053	2.6
81.51843	0.3
83.04982	0.6
84.08143	0.8
84.47772	0.3
85.02911	2.8
86.09698	0.7
87.00796	0.6
91.05481	2.7
93.07038	1.5
95.04974	0.8
95.08605	1.6
97.02901	1.0
97.06535	1.0
99.04463	1.1
103.03994	0.8
103.05480	4.4
105.01900	0.3
105.07025	1.2
107.04948	1.5
107.08578	1.1
109.02893	2.4
109.06542	0.4
109.10130	0.7
111.08081	0.5
117.06974	0.4
119.04947	4.1
119.08575	1.3
120.08129	2.4
121.06541	0.7
121.08433	1.3
121.10130	1.2
123.08011	0.4
123.11730	0.6
125.09599	0.9
127.03901	3.8
129.01836	0.5
131.04918	0.7
131.08563	0.4
133.02882	0.6
133.06516	0.5
133.10129	1.1
135.11690	0.4
143.08592	0.4
145.04996	0.5
145.06500	0.4
147.03127	0.5
147.04425	3.8
147.27078	0.3
148.05214	0.7
149.06068	0.4
149.13240	0.4
157.10121	0.7
161.13269	0.4
163.03860	0.5
169.10078	0.4
175.03914	65.1
176.04721	4.3
180.77347	0.4
187.03897	0.8
187.11226	0.4
189.05492	1.2
211.45667	0.3
231.10170	100.0
232.10492	1.8
257.04520	0.4
374.31689	0.3
393.09302	0.4
393.24780	0.6
393.29883	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	11.0
55.01862	5.2
55.05505	2.4
57.03419	4.1
58.23460	1.2
58.99576	3.4
61.02924	5.5
67.05492	5.8
68.99790	8.3
69.03429	35.3
69.07062	4.0
69.29807	8.7
69.30228	2.5
70.06593	5.3
71.04993	9.5
71.58743	1.3
72.08155	2.6
73.02919	1.3
76.02248	1.9
79.05483	3.7
81.03422	60.3
81.07061	6.5
84.08140	5.1
85.02907	49.5
85.06541	2.7
86.09713	8.0
86.99058	3.8
87.00848	15.7
88.02170	1.3
91.05459	4.0
93.07038	5.7
95.04995	2.6
95.08595	6.6
97.02891	19.3
97.06535	16.4
99.04465	24.4
103.03945	12.4
105.01854	6.8
105.07034	4.4
107.05059	1.5
107.08591	3.3
109.02885	66.2
109.06525	2.2
109.10150	3.4
116.01675	12.2
119.08562	3.8
120.08116	4.7
121.10143	2.2
124.90587	1.2
127.03923	100.0
129.01807	10.1
131.04874	1.2
133.10126	2.7
135.08040	2.0
137.05974	1.5
144.01138	5.0
145.04974	8.5
145.10117	1.7
147.02911	7.4
153.01758	1.6
156.09392	1.5
159.02879	2.0
159.11417	1.2
161.13301	3.2
162.02202	22.5
163.03937	7.4
169.04909	6.7
173.02350	2.0
177.05466	1.8
179.14273	2.5
187.06000	10.4
187.11192	1.4
187.86726	1.5
197.15428	2.2
213.03906	5.2
213.09070	1.9
215.07104	3.3
231.05008	17.4
231.10126	2.7
236.94200	1.5
255.05026	2.4
259.09674	6.2
273.06006	4.0
291.07022	2.7
357.08386	2.3
384.74448	1.6
393.18860	6.9
393.24026	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	393.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94481	2.1
52.19671	2.3
53.03949	12.1
55.01862	8.4
55.05504	8.4
55.79797	2.2
57.03434	4.5
57.07059	2.5
61.02910	7.0
67.05505	13.7
68.99783	9.7
69.03436	33.5
69.07084	15.5
69.30853	19.8
70.06579	7.3
71.04977	7.3
72.08162	5.0
73.02925	3.2
79.05503	12.5
81.03424	65.9
81.07077	15.4
83.04990	4.3
84.04499	3.4
84.08138	5.2
85.02909	54.0
85.06526	5.1
86.09695	8.8
87.00838	15.8
89.06023	4.3
91.05479	10.5
93.07039	9.3
95.04951	5.8
95.08610	14.5
97.02908	29.8
97.06512	13.3
97.10178	2.4
98.21465	4.8
99.04466	34.1
101.02404	3.3
103.03948	15.9
105.01868	8.7
105.07054	11.5
107.08578	9.2
109.02889	72.2
109.10170	5.0
111.08082	4.0
117.03339	3.3
119.08557	7.6
120.08143	13.3
121.06499	3.5
121.10146	7.0
121.45314	2.7
123.04402	4.6
123.08016	4.0
123.11748	3.2
125.09642	5.8
127.02966	5.3
127.03922	100.0
128.06195	3.4
129.01839	9.0
131.08687	2.4
133.06488	8.1
133.10118	6.1
135.04433	5.9
135.08087	3.8
135.11659	4.1
139.03828	2.6
142.07736	2.5
145.04955	5.8
145.10130	8.6
147.02875	9.7
147.04396	2.9
147.07933	3.1
147.11659	5.0
149.13304	3.2
151.03944	3.0
159.08136	2.7
159.11694	3.8
161.09651	2.4
161.53436	2.9
163.03934	18.8
169.01468	2.6
169.04962	7.7
173.09639	3.2
175.03947	13.1
175.11206	3.0
183.08075	2.8
187.04099	2.3
187.06012	10.3
187.07472	3.8
189.09198	3.5
197.09656	6.1
205.07048	2.5
213.03894	5.0
213.09184	15.2
215.10672	6.0
227.07187	2.5
231.05043	18.5
231.10126	25.2
231.12036	4.0
243.10205	17.6
255.04936	3.1
255.10236	15.6
259.09634	7.5
261.11261	7.0
267.10156	6.6
269.11749	3.9
273.06143	4.2
273.11194	5.9
285.11279	3.8
291.06931	7.7
297.11301	9.3
309.11346	3.4
315.12189	6.0
327.12195	4.1
333.07593	6.9
339.12177	6.9
347.09534	2.6
357.13168	6.4
375.14139	5.6
393.13162	6.5
393.24487	7.4
393.30011	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0586
Annotation	Unknow
Peak:m/z	Relative Intensity
63.35238	14.4
69.47826	100.0
73.70374	14.6
98.20832	17.6
98.97568	15.6
105.12924	12.7
163.03923	13.4
175.43697	13.9
247.04482	18.5
274.09299	13.4
279.94797	13.5
385.99115	12.7
393.05603	95.1
393.10593	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	392.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.0
55.01854	3.7
55.05497	10.7
57.07063	8.7
61.70007	2.0
65.03921	3.0
65.10316	2.1
67.05508	17.9
69.03427	3.2
69.07069	11.8
69.18610	23.2
71.08641	2.4
72.12800	2.2
79.05495	27.9
80.06271	4.2
81.03416	4.2
81.07059	41.8
83.04985	4.1
83.08617	5.6
85.06544	5.6
86.53482	2.0
89.12350	2.2
91.05483	51.7
93.07054	55.8
94.23603	2.1
95.04974	28.6
95.08614	23.0
96.05788	2.1
97.06522	5.0
97.34528	2.1
103.05479	4.3
105.07037	100.0
105.24897	2.2
106.07795	9.0
107.08601	37.2
108.05743	6.4
108.09430	2.9
109.06519	5.8
109.10187	13.7
115.05465	6.3
117.07008	28.5
118.07819	3.0
119.08590	78.9
120.09392	14.3
121.06529	14.3
121.07256	3.1
121.10164	22.6
122.07290	2.3
123.08061	4.9
128.06215	12.6
128.49721	2.4
129.06990	21.3
130.07777	8.3
131.08577	50.3
132.09357	9.2
133.06483	4.9
133.10143	33.0
135.08032	7.2
135.11700	9.7
137.09618	2.6
141.06976	9.4
142.07765	18.3
143.08565	48.3
144.09358	13.5
145.06462	6.5
145.10138	79.2
147.08040	4.7
147.11691	18.6
149.02290	4.5
149.09569	3.7
149.13283	3.2
150.02663	5.0
153.06944	4.0
155.06041	2.8
155.08551	15.5
156.09410	15.3
157.10139	45.5
158.07291	2.7
158.10936	12.3
159.08043	4.3
159.11705	42.6
160.08878	2.7
160.12436	4.5
161.09625	7.3
161.13287	8.5
162.10474	3.0
163.11145	2.9
165.06915	3.2
167.08588	8.4
168.09357	4.7
169.10162	24.2
170.10896	6.5
171.08054	5.3
171.11697	30.5
172.08586	2.9
172.12523	6.6
173.09647	7.9
173.13284	31.2
175.14830	14.5
177.12764	5.1
179.08571	7.8
180.09299	3.2
181.10114	10.7
182.10886	9.1
183.11699	20.8
184.12456	6.5
185.09616	7.0
185.13263	18.8
186.13960	2.5
187.14819	12.4
189.12747	10.2
191.08507	2.7
192.15067	3.1
193.10139	9.8
194.10924	4.3
195.11682	13.5
196.12448	3.9
197.13222	21.8
198.13866	3.1
199.11151	6.2
199.14790	7.5
201.12799	4.5
201.16359	12.7
203.14285	3.0
207.11650	7.6
208.12505	4.8
209.13264	10.5
211.11299	2.7
211.14807	13.9
213.16350	4.0
215.14351	3.7
217.15854	5.9
219.11800	3.3
221.13272	6.4
222.14005	3.6
223.14859	11.3
235.14793	5.3
237.16348	7.2
239.14371	3.6
239.17917	5.4
257.18936	6.3
263.17926	4.2
269.19064	3.8
277.19632	2.7
295.20749	3.7
359.23712	4.0
369.19388	5.3
377.24716	5.2
392.26941	8.7
393.25870	5.2
418.76907	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	392.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78639	3.1
53.03941	6.1
55.05507	10.6
55.33851	3.0
57.07076	64.1
65.03936	5.3
67.05507	15.3
69.03439	4.3
69.07076	10.0
70.78710	7.9
71.08601	3.7
77.91080	3.1
79.05504	29.8
80.06284	5.6
81.03420	5.3
81.07057	43.6
83.04955	4.9
83.08600	6.7
85.06554	5.9
86.18774	3.0
91.05488	63.0
93.07044	51.2
95.04971	36.2
95.08600	26.0
96.73988	3.6
97.06492	4.3
105.07037	100.0
106.07822	10.9
107.08595	45.1
108.05759	6.6
109.06532	5.2
109.10168	16.7
115.05422	6.9
117.07036	30.5
119.08586	91.7
120.09360	14.2
121.06514	14.3
121.10146	24.0
125.09612	4.5
128.06221	13.1
129.07014	29.3
130.07806	12.9
131.08568	59.0
132.09367	5.5
133.06384	3.9
133.10144	40.9
135.08070	7.6
135.11697	13.8
141.06993	13.1
142.07787	22.3
143.07536	4.9
143.08583	53.1
144.09354	12.1
145.06512	3.9
145.10129	92.7
147.08066	13.1
147.11682	23.4
149.02350	11.3
149.09561	3.3
150.02704	4.8
155.08578	18.3
156.09366	16.5
157.10126	54.5
158.10919	11.1
159.08102	9.7
159.11723	51.1
160.08875	3.4
161.09598	8.2
161.13202	12.3
163.11165	7.1
165.07082	5.6
167.08542	9.1
168.09335	3.8
169.10136	31.2
170.10924	11.5
171.08154	3.3
171.11708	41.3
172.12479	7.5
173.09637	7.2
173.13297	31.0
175.14842	16.4
177.12769	5.6
179.08574	8.9
180.09314	4.6
181.10129	15.2
182.10887	7.8
183.11699	23.0
184.12613	5.5
185.09648	4.1
185.13258	19.1
186.10402	5.7
186.13977	3.2
187.11226	4.3
187.14799	9.7
189.12801	7.4
193.10210	9.1
194.10901	7.5
195.11665	17.8
196.12462	9.0
197.13304	19.0
198.14000	4.8
199.11180	5.4
199.14799	10.3
201.12697	5.0
201.16388	12.1
203.14310	3.4
205.10167	4.6
206.10855	5.1
207.11505	18.0
209.13223	17.5
211.11229	4.0
211.14844	12.2
213.16391	7.2
213.96516	3.9
215.14328	3.9
217.15964	4.8
221.13278	6.0
222.13947	5.1
223.14838	8.3
224.13844	6.9
225.16432	7.5
235.14793	5.3
237.16383	4.3
239.18027	8.6
251.17935	4.0
255.17397	4.3
263.17746	3.9
267.17340	5.0
308.19659	35.3
313.21750	4.2
359.29773	3.7
374.24402	22.0
377.24948	7.7
392.26242	18.4
392.36255	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	392.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28314	2.7
53.03940	6.8
55.01873	4.3
55.05507	12.8
57.07069	8.2
57.54485	2.6
67.05506	15.4
69.07064	12.1
70.08211	9.3
70.08601	5.3
79.05489	27.0
80.06268	4.7
81.03417	4.9
81.07063	43.6
83.05002	4.6
83.08614	5.2
85.06537	5.9
88.18977	2.6
89.94258	2.3
91.05488	58.7
92.69403	2.6
93.07052	52.9
95.04969	31.7
95.08617	21.2
97.06566	2.9
98.20819	3.1
103.05486	4.0
105.07040	100.0
106.07813	10.8
107.04932	4.1
107.08595	43.0
108.05744	7.7
109.06518	8.6
109.10165	11.5
115.05497	6.8
116.06207	3.4
117.07021	25.6
119.08591	81.3
120.09381	16.8
121.06505	12.8
121.10157	26.5
123.08098	5.6
128.06177	12.2
129.06998	23.4
130.07797	11.6
131.08585	53.0
132.09386	4.3
133.06541	4.2
133.10138	42.5
135.08002	6.5
135.11705	18.4
137.09576	3.6
141.07001	11.2
142.07811	19.5
143.08578	44.7
144.09369	13.3
145.06500	4.3
145.10138	85.9
147.08063	7.0
147.11676	23.2
149.02315	6.9
150.02660	4.0
153.07050	5.6
155.08548	17.5
156.09383	16.3
157.10135	54.4
158.10927	13.8
159.08090	6.0
159.11702	49.8
160.08800	3.6
161.09657	8.8
161.13268	3.9
165.07008	9.3
166.07727	5.8
167.08615	10.1
168.09380	7.2
169.10162	18.9
170.10933	11.5
171.08043	4.2
171.11688	32.4
172.12515	3.4
173.09691	6.6
173.13271	30.6
174.10486	3.9
174.13731	2.5
175.14865	17.0
177.12793	6.3
179.08582	10.4
180.09293	3.2
181.10110	13.5
182.10892	9.9
183.11694	19.1
184.12405	6.6
185.09691	4.1
185.13329	12.7
186.10291	4.6
187.11227	5.0
187.14828	8.0
189.12727	7.2
191.14340	5.1
192.09384	3.5
193.10141	9.8
194.10916	4.3
195.11696	17.7
196.12453	7.5
197.13261	21.8
198.14108	3.4
199.11192	7.0
199.14882	6.3
201.12863	4.6
201.16423	10.9
205.10211	3.2
206.10895	4.4
207.11710	12.1
208.12383	4.8
209.13255	15.1
210.13921	4.4
211.14828	8.7
213.12747	4.3
213.16344	4.9
217.15790	4.2
218.16446	3.0
219.11653	4.3
220.12289	3.0
221.13249	6.1
222.13887	5.9
223.14816	11.6
225.16455	3.6
227.14288	3.5
231.11670	2.9
233.13298	5.3
237.16434	4.4
239.14346	5.0
239.18030	5.1
245.13194	3.7
247.14914	4.1
249.16418	10.1
249.30923	3.0
257.19052	4.3
258.19684	3.1
263.17987	4.3
267.17297	2.9
271.20624	3.7
283.20459	3.5
285.18442	3.8
295.20667	4.1
296.20767	3.1
349.25320	2.7
359.23727	4.3
363.26950	5.1
374.25781	4.2
377.24814	6.4
392.24783	24.1
392.36133	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	392.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33390	2.8
53.03945	8.7
55.05506	12.5
57.07078	7.8
67.05510	17.9
69.03427	3.9
69.07060	11.4
70.09879	10.0
74.70827	3.0
75.90954	2.8
77.03928	3.6
79.05496	34.0
80.06288	4.3
81.03412	5.8
81.07059	39.4
83.08608	6.3
85.06541	3.7
89.06100	3.3
91.05485	51.0
93.07048	53.2
95.04969	29.7
95.08599	29.4
97.06528	3.8
105.07031	100.0
106.07825	10.2
107.08600	48.6
108.05782	4.5
109.06525	9.6
109.10150	14.7
115.05469	7.4
117.07038	31.3
119.04967	4.0
119.08589	82.0
120.09357	13.2
120.60555	3.0
121.06541	11.9
121.10156	20.5
128.06245	13.1
129.07034	20.8
130.07794	13.0
131.08592	52.5
133.06471	6.1
133.10132	38.9
135.08060	8.0
135.11693	11.8
141.06978	12.7
142.07773	22.0
143.08572	57.0
144.09348	17.9
145.06531	7.2
145.10121	82.7
146.10873	3.3
147.08060	7.8
147.11705	15.8
149.02322	4.2
149.09656	4.4
153.07132	3.8
154.07748	5.4
155.08604	20.8
156.09349	20.3
157.10129	52.0
158.10898	9.6
159.08057	8.2
159.11696	42.8
161.09642	7.6
161.13249	6.9
163.11139	3.9
165.07042	4.3
167.08551	9.4
168.09438	4.3
169.10161	21.8
170.10893	9.7
171.11691	32.3
172.12451	7.9
173.09624	10.3
173.13297	32.8
175.11229	5.2
175.14832	12.2
177.12776	6.0
179.08556	5.4
181.10136	15.6
182.10910	8.5
183.11671	26.1
184.12442	5.5
185.09642	3.4
185.13271	14.8
187.06049	3.4
187.11215	6.3
187.14891	8.7
189.12737	10.9
191.14224	4.3
193.10181	6.0
194.10800	6.1
195.11674	15.3
196.12418	8.8
197.13271	21.4
198.13913	5.2
199.11137	4.6
199.14818	7.2
201.12924	3.0
201.16368	10.9
206.10858	4.8
207.11646	7.9
209.13243	13.6
210.14056	4.9
211.14781	15.0
213.12833	5.0
215.14278	4.9
217.15840	5.7
219.17549	3.9
221.13213	8.7
223.14760	5.4
225.16382	6.0
235.14932	4.1
237.16397	6.3
239.17909	5.4
249.16455	3.7
255.17549	4.0
257.18500	3.2
313.21356	4.9
359.23624	7.0
374.25955	5.5
377.24872	5.3
392.26633	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	392.0743
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43083	0.5
53.03942	1.5
55.01872	1.3
55.05521	0.9
56.05037	1.1
57.03429	1.2
61.02923	1.1
63.02367	0.6
68.99785	0.9
69.03428	8.8
69.39767	1.1
69.40157	3.3
70.06594	16.0
71.04979	1.1
72.08157	2.9
72.98481	1.3
73.02930	1.2
74.06085	1.4
78.03440	0.6
79.05510	0.6
80.05025	0.5
80.46619	0.5
81.02985	0.7
81.03421	6.9
83.04973	0.8
84.04499	2.0
84.08141	6.9
85.02909	14.2
86.09715	4.7
87.00832	4.1
90.03442	6.8
91.04242	0.5
91.05482	1.6
95.04967	0.7
97.02878	3.8
99.00005	3.4
99.04465	2.8
102.05511	0.5
103.03956	1.3
103.05463	0.5
105.01871	3.1
105.03370	0.9
105.07056	0.7
107.04972	2.1
109.02882	6.4
110.07104	0.6
115.05460	6.7
116.05801	3.6
118.06573	0.9
119.04975	0.5
120.08118	4.4
121.06514	1.0
125.09621	0.6
126.01074	100.0
126.05515	2.9
127.01941	2.5
127.03927	11.6
128.02660	1.0
128.04266	0.7
129.01790	0.8
129.10262	2.3
130.04996	0.5
130.06544	0.5
130.08636	0.5
131.04932	7.5
132.05247	3.8
134.06104	0.5
136.07590	1.5
143.04936	3.9
144.02119	98.8
145.04950	3.7
147.02917	0.8
148.06061	0.7
149.02315	1.3
159.02904	3.4
159.04433	1.3
160.04790	1.2
166.08652	1.5
167.07028	0.8
181.09723	0.8
186.03168	1.3
187.03920	23.8
187.05807	1.0
188.04243	24.5
189.04134	0.8
202.12285	0.5
209.09219	0.7
212.01201	0.6
213.03870	0.7
230.02177	0.6
231.04959	2.6
236.10741	1.4
245.11328	1.6
270.05219	1.0
279.13452	1.0
288.06348	0.8
306.07410	5.7
313.36121	0.5
346.07819	0.6
364.20148	0.9
374.06900	1.6
392.07913	15.0
392.19662	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	392.0743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.4
55.01883	1.2
55.05502	1.0
56.05038	1.0
57.03444	1.2
57.99247	0.5
60.74152	0.5
61.02938	1.4
63.02372	0.6
65.03941	0.5
67.05497	0.5
68.99792	1.0
69.03434	9.0
69.03774	0.3
69.07066	0.8
69.41067	1.4
69.41498	2.0
70.06593	16.8
71.05000	1.3
72.08155	2.0
72.98470	0.6
73.02924	1.1
73.06458	0.5
74.06077	0.7
81.03414	8.0
81.07048	0.5
83.04968	0.8
84.04502	2.1
84.08142	7.3
85.02909	15.2
85.06583	0.4
86.09713	4.0
87.00830	3.7
90.03452	7.4
91.04221	0.6
91.05486	1.6
95.04969	0.5
97.02895	4.6
99.00008	3.3
99.04457	2.7
102.05526	0.5
105.01891	2.9
105.07001	0.8
107.04976	1.2
108.04487	0.7
109.02884	7.5
110.07172	1.2
115.05469	7.0
116.05795	5.1
118.06548	0.8
119.04929	0.7
120.08108	4.2
121.06494	1.0
125.09622	0.7
125.79346	0.4
126.01077	100.0
126.05527	3.1
127.01931	2.9
127.03929	12.6
128.02684	0.6
129.01848	1.2
129.10226	2.2
130.05003	0.5
130.06567	0.7
131.04932	6.9
132.05263	4.6
136.07594	1.3
137.06012	0.5
143.04951	3.8
144.02119	96.8
144.05185	3.4
145.02481	0.9
145.05005	2.8
145.06030	0.6
146.05977	0.5
147.04364	0.6
149.02318	0.8
150.02660	0.6
159.02870	2.7
159.04323	1.3
160.04735	1.0
166.08635	1.5
172.11241	0.5
181.09770	0.7
186.03210	0.8
187.03909	26.2
188.04243	24.9
189.04114	1.0
202.12294	0.7
209.09265	0.9
213.03981	0.7
213.11128	1.0
230.02196	0.6
231.04962	1.9
236.10774	0.7
245.11317	1.4
270.05304	0.7
279.13284	1.3
288.06378	1.1
306.07425	5.6
374.06613	1.5
375.17139	0.8
392.07977	15.7
392.19598	5.6
408.90976	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07071	19.4
57.40501	2.0
67.05488	5.5
67.44264	2.2
68.03456	2.2
68.53529	1.9
69.07078	4.2
71.04385	4.5
71.08632	14.4
79.05497	26.5
79.97364	1.9
81.07063	15.8
83.08618	3.9
85.10184	5.8
89.06043	5.4
93.07050	5.2
95.04995	3.1
95.08603	4.5
97.06547	14.9
113.06009	4.8
123.69389	2.4
125.06002	64.5
139.07544	20.3
143.07031	13.7
149.02351	34.8
153.09109	14.4
157.25262	2.3
167.03313	3.5
167.10704	8.7
181.12199	10.1
195.13838	5.7
209.15417	2.9
237.18568	2.9
265.21735	3.9
345.85095	2.7
391.35733	100.0
392.36179	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	391.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	29.5
57.07072	16.7
67.05501	42.0
69.03429	23.5
69.07066	28.5
69.54988	8.0
70.06590	41.2
70.35783	9.9
70.36137	27.5
71.05000	13.8
71.08632	15.3
72.08155	10.2
79.05489	35.9
81.03419	16.4
81.07056	90.3
81.84879	7.4
83.08665	9.8
84.08123	16.0
85.02905	14.2
85.06540	13.5
86.09711	12.4
91.05482	34.5
93.07049	50.3
95.04983	9.5
95.08620	46.1
97.06530	33.9
97.10148	10.2
98.44740	9.4
100.11256	31.1
105.07023	43.0
107.08591	53.4
109.02885	9.6
109.06530	11.5
109.10168	51.9
110.07168	12.0
111.08091	16.6
115.05430	11.2
117.07027	10.0
119.08589	45.6
120.08120	22.9
121.06503	16.7
121.10140	48.4
123.04410	12.4
123.08102	14.4
123.11731	37.5
125.09621	39.7
129.06995	8.9
131.08546	17.6
133.10117	31.2
133.81429	8.1
135.08081	15.7
135.11685	19.4
137.05988	15.5
143.10629	18.7
145.10127	26.6
147.04413	9.4
147.07973	11.0
147.11653	28.9
149.02344	100.0
149.09671	13.3
149.13326	14.0
151.03885	10.6
151.11195	9.0
151.91782	8.7
157.10197	13.7
159.11687	22.8
161.09648	19.6
163.11166	19.8
165.09004	9.3
165.12787	17.0
167.03395	10.9
169.12257	8.9
173.13312	9.7
175.11156	17.9
175.14877	10.6
181.12244	19.0
187.03928	26.8
187.11182	10.2
187.13306	10.6
199.14824	8.5
204.14648	8.3
216.08864	8.0
229.08673	11.0
273.22311	14.2
291.23169	56.4
301.21667	36.8
319.22641	25.8
330.48669	8.5
391.07950	11.7
391.17709	17.3
391.28424	13.5
408.68503	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	391.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.7
55.05513	14.2
56.96574	5.2
57.07067	13.3
59.05011	4.7
62.60480	3.9
65.03956	4.2
67.05510	25.0
69.03424	5.6
69.07078	12.1
70.66930	11.8
70.67300	4.3
71.08640	11.6
79.05505	27.8
81.07056	43.6
83.04973	9.5
83.08630	5.3
84.08149	6.0
85.06536	6.4
86.09672	4.0
91.05503	47.1
93.07056	40.2
95.04971	42.8
95.08627	29.2
97.06558	7.9
103.05453	7.0
104.53833	4.3
105.07039	74.6
107.08592	34.8
109.06511	12.2
109.10174	18.5
115.05473	9.9
117.07021	13.8
119.08598	54.4
121.02854	5.2
121.06487	20.2
121.10143	32.9
123.08061	4.7
128.06268	8.7
129.07013	19.1
130.07803	12.7
131.08595	28.1
133.10127	30.0
135.08070	8.8
135.11685	6.6
141.07034	7.2
142.07808	22.6
143.08562	31.2
145.10121	44.4
147.11769	8.3
149.02350	86.4
153.06912	6.9
155.08571	19.1
156.09363	17.3
157.10115	44.3
159.08083	5.9
159.11707	22.1
161.09660	14.9
165.06987	7.9
167.03429	8.5
167.08615	10.2
167.10735	7.5
168.09358	7.6
169.10118	24.4
170.10951	4.5
171.11749	24.2
173.09590	5.2
173.13304	16.2
175.11153	5.6
179.08606	13.5
180.09492	6.5
181.10138	15.9
182.10899	7.6
183.11748	26.9
184.12415	8.5
185.13287	11.8
192.09500	5.1
193.10167	19.8
194.10912	15.4
195.11731	24.9
197.13304	19.0
199.14824	7.3
201.12697	6.6
203.14252	5.5
206.10925	9.5
207.11711	22.6
208.12434	7.9
209.13242	29.5
211.14862	12.6
215.14247	5.3
218.10843	7.2
218.78056	5.1
219.11743	12.8
220.12492	11.5
221.13274	16.1
223.14873	11.8
225.12723	5.8
231.11742	11.2
233.13228	12.8
235.14871	12.6
237.16412	7.5
245.13159	9.6
247.14780	6.4
248.15544	7.5
249.16379	9.8
261.16299	7.4
263.17999	6.8
267.17438	6.2
269.18936	5.7
275.17807	5.7
307.20474	4.9
317.19098	6.0
335.20099	4.3
373.25290	23.0
391.19232	4.6
391.26309	100.0
391.36264	13.2
392.26807	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	391.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	14.3
56.75523	4.1
57.07063	13.0
65.03941	4.1
67.05502	22.0
69.07060	12.9
69.33791	7.4
69.34193	34.5
70.06580	5.2
71.08636	9.8
79.05511	32.9
81.07065	43.0
83.04990	5.7
83.95858	4.3
87.01666	4.7
88.07631	4.9
91.05491	39.1
93.07056	45.3
95.04985	42.7
95.08594	25.1
97.06532	10.3
104.17023	4.7
105.07032	73.0
107.08577	30.0
109.06531	8.6
109.10168	18.2
115.05389	6.9
117.07028	17.2
119.08594	64.7
121.02872	5.3
121.06512	14.0
121.10139	17.8
123.08002	4.4
123.11694	5.3
128.06287	13.0
129.06976	13.1
130.07841	11.0
131.08603	24.0
133.10136	22.8
137.13289	4.8
141.06961	15.3
142.07790	26.9
142.65208	4.0
143.08569	37.9
144.09381	9.6
145.10112	51.4
147.08052	8.0
147.11682	12.1
148.07198	4.5
149.02353	79.2
149.09644	5.9
153.06979	5.3
155.08597	10.9
156.09383	16.1
157.10138	38.6
159.08102	10.0
159.11671	16.2
160.15392	4.6
161.09581	14.0
165.07036	6.8
167.03365	6.5
167.08521	6.7
168.09349	5.8
169.10107	30.6
170.10941	5.4
171.11644	29.5
173.09694	7.5
173.13263	10.2
175.11127	6.0
175.14836	4.8
175.89326	4.2
179.08594	12.8
180.09358	7.2
181.10118	16.9
182.10980	7.9
183.11676	17.9
185.13257	13.4
187.11113	5.1
187.14929	6.2
189.12737	5.6
192.09459	4.3
193.08588	4.4
193.10158	15.3
194.10904	9.6
195.11700	17.3
196.12288	4.3
197.13251	19.7
198.69350	4.2
199.11153	8.2
199.14783	7.5
206.10936	5.7
207.11754	23.1
208.12529	7.1
208.46385	5.3
209.09688	4.6
209.13258	23.3
210.13924	4.5
211.14812	9.9
213.12773	6.8
215.14238	6.2
217.15904	4.4
218.10780	5.9
219.11693	8.8
220.12491	8.1
221.13202	17.9
223.14774	13.4
225.12798	5.6
233.13269	9.0
233.15393	6.8
235.14792	17.0
243.11554	4.6
247.14821	10.9
249.16348	9.6
251.18079	4.6
259.14856	4.8
265.19351	7.4
267.17368	5.1
273.12912	4.5
273.16159	10.1
279.17615	6.8
281.19205	5.2
282.19809	5.6
297.18298	7.1
317.18921	7.1
318.03674	4.3
345.24948	5.0
348.19144	4.8
373.25656	20.3
373.29395	5.1
391.20218	6.4
391.26364	100.0
391.36389	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	391.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.5
55.05511	6.6
57.07084	3.2
65.72504	2.0
66.46368	1.7
67.05507	12.5
69.03461	1.9
69.07074	7.1
69.31898	16.3
70.77632	1.6
71.08635	1.9
76.04095	1.6
79.05500	13.3
81.07058	23.2
82.35603	1.8
83.04993	3.1
83.08623	2.1
85.06548	3.0
87.27978	1.8
91.05495	20.8
93.07036	20.2
93.07585	2.3
95.04967	28.9
95.05492	2.5
95.08619	11.9
97.06567	2.9
103.05506	2.2
105.07034	37.3
105.07687	2.7
107.08597	17.2
109.06543	5.1
109.10194	7.8
115.05440	2.6
117.07053	6.3
119.08585	28.0
121.06563	6.7
121.10152	15.7
123.08086	3.4
123.11797	2.6
128.06256	6.9
129.07031	9.7
130.07774	2.9
130.72581	2.0
131.08609	14.7
133.06500	2.0
133.10141	11.4
135.08101	4.9
135.11755	2.5
141.07030	4.1
142.07800	9.2
143.08563	18.7
144.09375	3.4
145.06490	2.6
145.10135	29.2
147.08151	2.3
147.11749	6.1
149.02417	8.3
149.09636	3.7
153.06987	2.9
154.07878	1.7
155.08554	11.1
155.53644	1.7
156.09311	9.8
157.10141	29.7
158.11011	2.2
159.08115	7.6
159.11743	11.3
161.09595	9.2
165.07108	5.2
167.08636	4.6
167.10789	2.3
168.09386	3.8
169.10133	14.3
171.08092	2.4
171.11705	15.0
173.09680	7.8
173.13318	6.9
175.11258	3.4
175.14838	2.2
177.09200	1.8
177.95551	1.7
179.08629	7.4
180.09435	3.9
181.10083	8.7
182.10912	5.1
183.11740	12.3
185.09729	3.3
185.13327	7.9
187.11343	2.6
191.08682	2.0
192.09453	5.9
193.10109	8.6
194.10991	5.8
195.11739	13.3
196.40015	1.9
197.09573	3.7
197.13232	8.5
199.11241	3.8
199.14886	3.7
201.12704	3.5
204.09430	1.9
205.10204	2.9
206.10973	4.1
207.11687	10.4
208.12535	4.0
209.13264	14.6
211.11261	4.3
211.14859	6.0
213.12839	4.5
217.10262	4.0
218.11067	3.5
219.11757	5.4
220.12578	3.7
221.13322	9.2
223.14836	9.1
225.12791	3.1
225.16420	3.3
227.14378	1.9
229.10172	2.3
231.11812	4.2
232.12483	3.0
233.13368	8.3
233.15483	2.8
234.13988	3.1
235.14903	6.3
237.12968	3.4
237.16508	5.2
244.12675	2.0
244.51645	1.8
245.13437	4.3
246.14088	3.0
247.14912	7.1
249.16495	5.9
250.17244	2.4
251.14449	3.8
251.18091	2.8
259.14969	2.7
261.16510	4.4
263.18079	5.0
264.15546	2.1
273.16476	4.6
275.18011	3.8
277.16364	2.2
277.19687	3.6
282.19992	3.9
289.19647	3.2
291.17624	3.9
293.19119	4.4
297.18741	6.2
299.17737	2.5
307.20633	3.5
317.19260	2.3
335.20157	6.9
355.24500	3.0
363.26974	1.8
373.25204	18.1
385.31485	2.0
391.25937	100.0
392.26151	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	391.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42151	2.1
51.92634	1.8
53.03940	5.0
55.01874	3.6
55.05517	15.1
57.07066	8.0
65.03941	4.3
67.05508	18.7
68.18531	2.0
69.03432	7.7
69.07065	10.2
69.65010	5.4
69.65420	8.4
71.75287	2.1
77.03922	3.2
78.59821	2.2
79.05496	27.2
81.07063	38.8
81.41654	2.1
83.04968	4.2
83.08636	5.0
85.03921	2.1
85.06541	5.5
91.05480	41.3
93.07050	44.5
93.76256	2.2
95.04964	46.4
95.08615	21.9
97.06531	7.2
98.20779	2.7
103.05458	6.3
105.04575	2.3
105.07036	75.1
107.04933	2.5
107.08599	27.7
109.06517	8.1
109.10175	10.3
115.05485	6.1
116.06154	3.7
117.07011	19.4
119.04943	3.6
119.08578	60.7
121.06484	10.4
121.10159	25.8
123.08064	4.2
123.11670	2.9
128.06229	11.4
129.07025	16.2
130.07764	10.6
131.08572	31.0
133.10149	23.2
135.08075	6.8
135.11714	4.4
141.06995	8.3
142.07803	20.3
143.08572	34.3
144.09369	4.2
145.06429	3.3
145.10124	48.2
146.07254	2.8
147.08047	8.4
147.11678	13.3
149.02359	12.1
149.09618	3.0
149.69531	2.4
153.07004	5.4
154.07770	3.9
155.08565	20.0
156.09343	14.2
157.10132	36.9
158.10916	5.3
159.08092	7.5
159.11681	16.4
160.87982	2.4
161.09659	7.9
165.07048	9.0
166.07703	3.9
167.08566	12.3
168.09386	8.1
169.10141	26.7
170.10916	6.6
171.08015	4.3
171.11697	23.8
172.08832	3.2
173.09669	6.7
173.13272	16.0
175.11224	3.0
178.07738	2.8
179.08554	16.3
180.09323	6.2
181.10130	19.3
182.10904	8.4
183.11699	27.8
184.12471	5.6
185.09660	4.1
185.13278	9.8
185.18796	2.1
187.11203	5.4
187.14818	5.4
189.12700	2.5
191.14317	6.1
192.09315	7.7
193.10136	22.6
194.10869	7.6
195.11688	22.9
196.12480	5.1
197.09563	4.9
197.13254	16.9
199.11212	6.4
199.14932	5.9
201.12709	2.3
203.08600	2.3
205.10138	8.2
206.10963	7.9
207.11697	21.5
208.12469	9.2
209.09709	3.2
209.13234	19.4
211.11177	4.1
211.14746	12.2
213.12767	5.4
213.16464	3.4
215.14317	3.7
217.10097	5.8
217.15878	3.2
218.11020	2.7
219.11732	5.8
220.12512	7.8
221.13235	13.9
222.13971	4.9
223.11168	4.7
223.14784	12.0
225.12711	4.9
225.16328	3.9
227.14273	4.3
230.10884	2.9
231.11748	8.0
232.12605	2.5
233.13258	11.5
233.15445	5.5
234.14005	6.3
235.14839	14.8
236.15646	2.8
237.12756	2.7
237.16376	7.3
239.18175	2.4
243.11839	2.7
244.12386	3.6
245.13336	5.2
246.14151	6.0
247.14870	6.4
248.15495	4.5
249.16385	13.1
251.14368	5.9
251.18031	6.5
253.15939	3.2
255.17473	2.7
258.14032	3.4
259.14786	6.4
261.16428	7.6
263.18033	10.0
264.18741	3.8
267.17441	5.3
269.18988	6.0
271.14917	2.9
273.16391	4.9
275.17932	7.3
277.19461	4.3
279.17374	4.0
282.19772	6.0
283.20682	2.8
287.17841	3.4
289.19504	3.9
291.17441	7.5
293.19034	5.2
295.20544	3.1
297.18567	4.5
299.17886	3.4
303.17557	2.9
307.20547	4.3
317.18857	5.3
335.20007	6.4
373.25247	22.1
374.25601	2.3
391.26315	100.0
391.36121	5.4
392.26596	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	391.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15707	0.6
55.05495	1.0
57.07096	3.0
57.07307	0.7
66.23823	0.6
67.05480	1.7
69.07066	1.7
69.24891	6.3
70.06609	4.5
71.06903	1.2
71.08620	2.4
77.56245	0.6
78.63857	0.7
79.05482	1.6
81.07036	2.8
84.08121	0.8
88.07640	1.0
91.05460	1.9
93.07029	3.0
95.04961	2.9
95.08597	2.0
102.09184	0.7
103.68481	0.6
105.07033	4.9
107.08575	2.7
109.06529	0.8
117.06975	1.4
119.08611	3.8
121.06500	1.4
121.10122	1.3
129.07022	1.7
131.08527	1.8
132.10207	1.5
132.76695	0.6
133.10176	1.0
141.06992	0.8
142.07803	1.9
143.08519	2.3
145.10133	4.0
146.11789	1.8
147.11722	0.8
149.02348	9.1
156.09320	0.7
157.10110	2.9
159.11629	1.2
167.03291	0.8
169.10136	1.4
171.11693	0.7
173.13185	1.3
179.03517	0.8
179.08525	0.9
181.10162	1.3
183.11707	1.9
185.13300	1.2
193.10094	1.0
194.10863	0.9
195.11754	1.6
196.12666	0.8
197.13208	1.2
205.10104	0.9
206.10815	0.9
207.11722	1.6
209.13354	1.1
219.11546	0.7
221.13100	1.3
223.14883	0.8
233.13313	0.9
235.14819	1.2
247.14714	1.2
249.16351	0.8
261.16245	0.8
284.29584	1.0
285.29730	2.3
321.16699	1.1
328.32135	2.0
329.32382	8.4
369.42007	0.7
373.25165	1.4
390.35645	1.1
391.24539	100.0
391.35986	25.3
392.24829	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1391
Annotation	Resveratroloside
Peak:m/z	Relative Intensity
50.55129	0.8
51.20276	0.8
55.01879	1.4
55.05494	2.4
57.07061	1.4
63.50674	0.8
67.05495	3.3
67.61243	0.8
68.49815	0.8
68.99815	1.2
69.03423	2.9
69.07056	3.1
70.06593	2.2
71.08614	0.9
71.48381	1.3
72.08147	0.9
79.05489	2.5
81.03416	1.9
81.07068	4.1
83.04959	1.1
84.08112	1.3
85.02901	2.0
85.06561	1.7
86.09706	1.5
91.05486	3.8
92.59248	0.8
93.07039	3.8
95.04960	2.1
95.08631	4.6
97.02927	1.3
97.06542	5.4
99.04467	1.5
100.11219	1.8
103.05479	1.1
105.07033	4.6
107.04931	0.9
107.08640	5.0
108.08198	0.9
109.02904	1.0
109.06519	1.5
109.10133	1.5
111.08089	1.4
115.05457	5.4
117.07056	1.1
119.08590	2.5
120.08091	1.5
121.02858	1.1
121.06494	1.9
121.10158	2.6
123.08022	1.2
123.11698	0.9
125.09630	2.8
128.06186	1.4
129.07024	1.7
131.04944	7.7
131.08540	2.0
133.10127	2.0
135.04395	0.9
135.08075	1.8
135.11644	1.3
137.06001	2.7
142.07777	1.8
142.85870	0.9
143.04926	3.0
143.08548	2.0
145.04860	0.8
145.06499	1.8
145.10107	2.6
147.04413	1.6
147.11604	1.5
149.02350	16.6
149.13275	1.1
152.06200	0.9
155.08513	4.1
155.36880	0.9
157.10193	2.0
158.07310	1.9
159.08072	1.6
159.11711	1.6
161.05925	1.1
161.09602	1.2
163.03848	1.6
165.07037	1.0
167.03444	1.1
167.07109	1.6
167.08505	1.2
169.06500	1.4
170.07257	1.2
171.11708	0.9
173.09621	2.7
175.03848	1.2
177.60258	0.8
183.08041	1.9
185.05974	2.6
186.06769	2.0
187.03923	28.9
197.05937	1.9
200.04643	1.2
201.05540	1.9
201.09082	2.6
211.07515	6.1
213.05486	12.9
213.09091	1.1
214.06241	10.4
227.06969	1.3
229.08611	100.0
230.09004	2.7
348.91968	1.0
391.08099	7.0
391.12637	1.4
391.21484	1.6
391.28156	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	391.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.3
55.01859	8.3
55.05495	10.7
56.05030	6.8
57.03443	3.3
57.07080	5.5
58.99592	2.8
65.03910	2.7
67.05512	16.6
69.03413	10.5
69.07051	10.6
70.06596	24.4
71.04990	5.4
71.08620	7.1
71.48344	4.9
72.08159	6.8
76.02216	11.1
78.57479	2.5
79.05505	16.3
81.03409	9.9
81.07061	27.5
83.04989	5.2
83.08618	3.3
84.04519	4.5
84.08141	9.9
85.02904	6.7
85.06535	7.7
86.00687	3.5
86.09706	13.2
86.99057	4.8
88.02219	3.7
91.05493	23.2
93.07047	23.6
95.04968	8.1
95.08615	19.1
97.01097	6.5
97.02878	4.4
97.06522	11.7
99.04459	4.2
100.11243	9.4
102.05529	3.9
105.03370	3.8
105.07035	15.7
107.04971	5.9
107.08588	15.3
109.02873	7.0
109.06537	5.4
109.10166	11.4
110.07148	5.0
111.04424	5.3
111.08086	6.2
115.05461	24.0
116.01669	10.3
117.06998	4.7
119.08557	11.0
120.08083	7.2
121.02882	4.0
121.06506	4.6
121.10133	12.4
123.04428	7.4
123.08061	5.4
123.11724	3.3
125.05970	2.9
125.09654	13.1
126.09080	3.1
127.03910	10.8
129.06978	5.8
129.10223	2.8
130.06561	2.9
131.04951	39.4
131.08542	5.6
133.02882	3.9
133.10138	9.9
135.08115	4.5
135.11703	8.7
136.07643	3.1
137.05962	9.8
143.04933	10.9
143.08470	4.1
144.01166	3.5
145.06558	2.6
145.10123	9.2
147.04463	22.7
147.11697	3.3
149.02353	41.3
149.09601	4.6
149.13261	6.4
151.03909	3.9
151.11206	4.4
159.04460	14.0
159.11678	8.7
161.02354	57.9
161.05988	4.5
161.09608	3.2
162.02216	10.2
163.03909	3.7
163.11211	3.9
167.03441	5.4
167.07065	3.4
169.10124	3.5
171.04395	20.6
173.13344	5.4
173.88269	3.0
175.03867	4.0
177.05444	3.9
179.04868	7.5
183.04462	3.9
183.06561	5.4
187.03918	100.0
188.04327	3.1
195.13814	3.6
202.07721	4.1
210.15022	2.7
211.03848	13.7
215.08560	8.1
218.07123	4.2
219.07994	3.3
227.08434	3.4
229.04742	4.7
229.08633	7.2
231.04982	3.9
231.07982	4.7
239.03421	5.4
243.07977	4.9
243.11037	3.1
245.09567	6.1
247.07579	5.5
252.14085	2.9
253.05832	3.0
255.08148	6.6
257.04605	6.5
258.06674	5.5
259.09619	3.2
261.09122	4.6
268.55475	2.8
269.09277	2.9
270.17255	3.8
271.07434	16.4
273.09061	4.0
274.06287	4.1
288.07736	3.9
289.08517	11.4
289.11597	3.2
291.06372	3.2
299.06989	9.7
301.04749	3.7
302.05847	4.5
303.06436	6.1
312.12646	3.3
313.11469	3.1
315.06314	4.9
317.08255	16.0
318.26627	3.9
327.06573	24.7
331.12000	5.3
343.06183	4.0
345.07581	89.0
346.07983	3.7
355.05786	3.8
359.12109	7.5
373.07025	26.8
373.13483	5.1
373.17883	53.7
391.08014	36.2
391.12466	5.2
391.28568	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	391.0816
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26109	5.3
55.01871	4.5
55.05520	11.6
56.05042	7.3
57.07085	8.1
58.99595	7.1
67.05503	22.9
69.03450	10.4
69.07066	8.9
70.06596	20.5
70.88476	11.1
71.04986	6.0
72.08170	8.6
76.02219	8.7
79.05493	19.0
81.03432	6.4
81.07063	24.6
83.08618	5.6
84.04492	6.1
84.08150	9.3
84.41566	4.4
85.02898	5.9
85.06550	10.3
86.09711	17.1
91.05485	18.7
93.07052	26.8
93.56536	5.1
95.04978	11.6
95.08604	13.7
97.06545	11.3
103.05479	4.8
105.01981	4.6
105.03448	5.1
105.07043	20.6
107.08610	11.5
109.02887	5.9
109.06524	9.5
109.10175	9.5
111.08147	5.8
115.05482	23.8
116.01677	15.8
117.07033	5.7
119.08614	8.0
120.02139	5.7
120.08114	9.4
121.10165	13.9
123.04446	6.5
125.09647	12.7
127.03900	5.3
131.04919	29.6
131.08595	8.4
133.02832	5.3
133.10149	11.2
137.06058	6.6
143.04900	11.1
144.01067	4.7
145.10139	6.5
147.04416	21.6
147.11620	5.3
149.02374	42.6
149.05984	6.0
151.03882	6.8
159.04463	14.2
159.11720	9.9
161.02373	66.5
161.09633	8.4
162.02255	9.2
163.03889	5.8
165.05643	7.7
167.03412	6.5
171.04433	15.5
173.13226	5.4
179.04843	6.4
183.04373	7.6
187.03931	92.6
211.03943	18.4
215.08592	5.3
217.10197	7.9
230.09216	6.8
243.08009	6.9
255.08188	9.0
258.06677	8.1
270.17355	5.0
271.07648	21.6
289.08698	9.5
299.06973	11.1
301.05148	8.6
303.06384	7.6
317.07977	22.0
327.06485	25.4
331.12079	7.8
345.07635	100.0
373.07159	15.4
373.17905	64.2
391.08069	49.5
391.12759	4.9
391.15314	6.2
391.28442	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	391.0815
Annotation	Diosquinone
Peak:m/z	Relative Intensity
55.05500	0.7
55.16670	0.2
57.03438	0.3
57.07082	0.3
61.84278	0.2
67.05494	0.4
69.03424	0.5
69.07056	0.2
70.06574	0.5
70.73997	0.5
70.74334	0.5
76.90466	0.2
79.05482	0.6
81.03408	0.3
81.07047	1.0
83.04968	0.6
84.04503	0.3
84.08157	0.4
85.02877	0.2
86.09724	0.5
87.57970	0.2
90.64104	0.2
91.05499	0.6
93.07039	0.8
95.08614	0.7
97.06525	0.9
100.11218	0.5
103.05457	0.4
105.07018	1.1
106.57391	0.2
107.04929	0.2
107.08582	0.4
115.05461	16.5
117.07035	0.4
119.08564	0.6
119.83440	0.2
120.08124	0.7
121.06522	0.3
121.08475	0.3
121.10143	0.6
125.09625	0.7
131.04936	19.2
131.08611	0.3
132.82208	0.2
133.06529	0.3
133.10146	0.5
135.11649	0.3
143.04922	11.8
145.10066	0.4
147.04439	0.4
147.11687	0.3
149.02328	2.0
157.10031	0.3
159.04433	3.4
163.03877	0.5
175.14882	0.4
187.03911	100.0
188.04260	1.8
205.05032	0.9
229.08571	0.7
331.06128	0.3
345.07550	0.3
373.07263	0.8
391.08127	22.6
391.28809	0.3
392.08533	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91246	1.2
55.01884	2.5
55.05503	1.5
60.10847	1.3
67.05501	2.3
69.03447	2.4
70.06588	4.1
72.08140	3.8
79.05501	1.9
81.07063	3.7
84.08145	4.3
85.02880	1.5
85.06532	2.0
86.09697	3.0
88.40082	1.3
91.05489	3.3
93.07072	2.3
95.04963	2.3
95.08598	4.5
97.06517	2.3
105.03370	2.3
105.07045	2.7
107.04960	2.5
107.08573	2.5
108.06699	1.4
115.05473	2.7
119.04974	1.8
121.10151	2.3
125.09679	1.7
128.06267	1.8
131.04941	18.6
133.02893	3.0
134.03644	1.5
135.04468	2.1
137.05975	3.0
143.04935	2.8
143.08434	1.5
145.10165	1.6
147.04398	12.2
149.02367	9.4
149.09711	1.7
155.04898	4.2
157.06528	2.5
159.04419	11.7
161.02354	49.1
162.02722	2.1
171.04413	16.2
173.02370	1.9
175.79388	1.4
183.04384	3.4
185.05951	1.9
187.03922	19.0
199.03987	1.9
202.07762	6.6
211.03949	12.4
213.01848	4.3
215.03320	1.8
215.08568	6.1
217.10185	2.3
218.07513	3.5
219.08139	3.4
226.07967	1.7
231.02898	6.7
231.07962	2.3
233.09631	2.6
239.03369	4.3
241.08723	1.9
243.08084	4.3
244.27692	1.4
245.06033	1.8
245.09738	7.5
247.07562	3.5
255.08035	7.7
258.06830	5.5
259.07440	2.4
261.09171	4.3
263.07162	2.8
271.07489	14.7
272.08093	2.2
273.09134	6.1
274.06497	2.4
275.06952	2.3
287.07040	3.7
289.08539	8.4
290.05997	1.6
293.08093	7.1
299.06860	8.8
300.07706	2.3
301.04977	7.1
301.08557	4.4
302.05807	3.5
303.06622	2.0
311.06949	2.5
315.06564	5.2
316.07217	1.6
317.08044	16.8
327.06580	19.7
343.06094	4.2
345.07578	100.0
346.07959	5.1
355.05978	3.2
373.07053	19.0
373.17938	2.0
391.08011	3.5
391.13086	1.6
391.28360	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.01868	1.0
55.05510	1.3
56.05032	0.8
56.96560	1.7
57.03425	1.6
60.04541	1.0
61.02919	1.1
67.05499	0.6
69.03461	2.6
69.03776	0.5
70.06590	4.2
70.99827	0.5
71.04985	0.6
71.46996	0.8
72.08162	4.2
73.02907	1.4
74.06085	0.6
81.03439	1.0
83.06092	0.9
84.04505	2.4
84.08146	6.1
85.02907	6.2
85.04816	0.6
85.08475	1.0
86.06051	0.5
86.09718	6.2
89.03908	0.7
91.05496	3.2
93.04498	0.5
93.07047	4.9
95.04981	0.8
97.02902	3.2
98.97049	0.5
98.97589	3.5
99.04448	0.9
101.00864	1.6
103.05470	3.8
109.02844	0.6
110.07171	4.0
110.97539	0.8
116.98638	1.0
117.03394	0.6
119.01900	1.9
120.01985	0.5
121.06512	100.0
122.06865	1.4
124.07616	0.8
127.03926	2.0
127.04832	0.5
128.98633	0.7
129.10240	3.2
130.08583	0.6
130.10532	0.6
131.01921	0.9
132.10255	0.7
133.03429	0.6
133.06113	0.8
134.03648	0.5
135.04417	1.0
136.05154	0.5
136.07590	1.6
137.06053	1.2
138.09154	29.8
138.71646	0.5
141.06642	0.6
143.01901	2.7
143.11813	1.1
144.02118	0.7
145.01756	0.7
145.02759	0.9
145.05031	0.5
146.99622	0.5
147.07669	0.8
152.07085	0.5
155.01915	1.4
155.20772	0.4
156.07684	0.9
157.03531	0.6
158.99641	0.8
161.02994	2.7
162.03043	0.5
163.03923	5.3
173.03018	1.6
173.06610	1.0
174.04385	0.6
177.00743	0.9
185.02956	1.2
185.06670	0.6
187.04250	0.7
189.97113	0.6
192.06670	0.6
202.09277	0.5
203.02254	0.6
203.04044	1.0
209.06818	0.6
210.07762	0.6
215.07692	0.8
219.01578	0.7
219.07861	2.1
219.58179	0.8
221.03033	0.7
221.04982	1.2
228.11171	0.8
235.97740	1.5
237.02841	1.0
245.05132	1.1
247.04639	0.8
249.04529	1.2
249.54877	0.6
260.09821	0.9
264.07690	0.8
264.11090	0.9
271.09460	0.6
275.09763	1.0
277.98709	0.8
293.10876	2.1
299.56320	0.6
300.57285	0.5
301.12909	0.7
315.05051	0.5
353.14255	0.5
372.23267	0.5
390.07986	0.6
390.13699	0.7
390.24850	2.0
391.09521	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
54.64965	0.4
55.01875	0.6
55.05504	0.7
56.05022	0.4
57.03427	0.8
60.04530	0.6
61.02928	0.6
64.27876	0.3
65.03964	0.4
68.05032	0.5
69.03432	3.2
69.07069	1.0
69.85695	1.6
70.06603	2.7
71.04996	0.7
72.08153	1.5
74.06070	0.4
79.05495	7.6
80.05010	1.5
81.03429	3.0
81.05802	5.0
81.07062	8.6
82.02925	0.7
82.06573	0.5
83.03748	0.7
83.04964	0.5
83.06052	0.3
84.04488	2.0
84.08134	2.1
85.02914	5.2
86.06039	0.9
86.09717	3.7
87.00839	1.7
91.05479	0.4
91.53027	0.4
92.81741	0.3
93.07076	0.5
94.06564	1.2
95.04965	0.7
96.04498	3.1
96.08135	11.6
97.02885	1.4
97.06535	0.5
99.04451	1.0
102.05537	0.4
105.01875	0.9
106.06546	1.2
107.04942	0.9
109.02888	2.5
109.05241	0.6
110.07175	0.8
112.07614	2.1
115.05467	7.2
120.08117	0.5
124.07596	100.0
125.07938	1.1
127.03925	3.6
131.04936	7.3
132.10191	0.7
133.02809	0.4
136.07578	0.6
137.05965	1.2
138.09146	0.6
142.08640	46.1
143.04922	3.6
143.08984	0.6
145.04971	1.0
147.04462	0.7
148.33553	0.4
159.02898	0.6
159.04391	1.2
163.03932	0.5
187.03915	27.5
193.04881	0.4
202.12628	0.4
205.05038	0.5
216.12349	0.7
231.04929	0.4
304.13971	0.6
349.36600	0.4
356.67667	0.4
373.07205	0.5
390.13934	1.3
390.18164	5.2
390.23083	0.7
391.08170	4.9
391.19104	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.3
55.01860	7.7
55.05502	5.4
56.05047	2.9
57.03442	4.5
59.59596	2.1
60.04524	11.4
61.02917	4.1
65.25643	2.1
67.43182	2.2
68.99783	5.8
69.03436	33.4
69.07073	55.9
69.76638	7.4
69.77050	3.8
70.06594	26.7
71.05000	4.7
71.06937	3.5
71.08629	7.4
72.08149	6.9
73.02917	3.7
74.06063	2.5
79.05493	10.5
81.03423	31.6
81.05809	2.4
81.07078	4.7
83.08612	5.7
84.04514	9.3
84.08148	7.8
85.02911	65.5
86.02419	7.0
86.09705	20.7
87.00835	21.5
87.10017	3.4
87.28811	2.4
95.05011	2.8
96.04501	4.3
96.08135	5.7
97.02895	22.1
97.06544	12.5
98.06068	2.2
99.04468	10.1
101.76167	1.9
102.34238	2.9
102.46114	2.0
103.03946	6.3
103.05463	3.0
105.01888	10.2
107.04961	90.7
107.90414	2.3
109.02894	30.9
110.06071	2.4
110.07170	6.3
114.09150	5.1
115.05471	23.7
120.08137	4.0
121.06519	2.3
124.03957	3.0
124.07597	22.1
126.05476	2.8
126.09153	3.6
127.03930	54.3
129.01894	3.5
130.14708	2.2
131.04924	26.8
132.93427	2.3
136.07628	4.5
136.88597	2.0
137.06009	3.0
138.09140	3.7
142.08655	31.1
143.04909	12.2
145.04935	6.1
149.06065	2.7
151.03946	5.4
152.03354	2.2
153.05556	3.5
154.08661	9.0
156.10233	3.3
159.02898	6.6
159.04425	6.7
164.07053	6.0
171.02960	4.3
172.09769	7.9
180.10226	2.3
184.09720	61.1
187.03917	100.0
189.03976	10.2
208.09775	18.0
208.78432	2.6
213.03915	2.8
220.09848	2.3
222.11284	3.6
231.05054	6.7
238.10817	3.0
250.10767	31.7
287.09192	6.4
391.08038	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	389.2171
Annotation	Turpinionoside E
Peak:m/z	Relative Intensity
54.12596	7.6
57.03423	9.8
67.05508	9.0
69.03420	13.6
71.04602	8.6
71.04953	14.8
78.29442	8.3
81.07041	36.6
83.08590	10.8
85.02905	14.5
85.06493	8.0
86.09696	23.0
91.05494	10.6
92.49850	6.7
93.07023	31.4
95.04964	7.8
95.08588	24.3
99.08088	15.2
103.05423	10.3
105.07035	21.6
107.08600	46.5
109.06522	16.3
109.10159	20.3
111.08088	9.4
121.06477	25.2
121.10161	36.3
123.08051	21.6
125.09615	9.8
131.08554	20.3
133.10124	14.6
135.08080	15.0
135.11746	10.9
149.09654	64.5
149.13252	17.7
151.11186	28.2
153.09106	8.3
162.02258	8.6
163.07535	8.9
163.14822	26.6
173.13216	25.2
191.14308	78.3
209.15358	100.0
226.68016	7.2
380.39194	8.3
389.12787	18.8
408.80176	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	389.1598
Annotation	Renealtin A
Peak:m/z	Relative Intensity
50.31764	0.8
51.02383	1.2
52.67340	0.8
53.03956	1.5
55.01877	3.3
55.05509	1.4
55.64528	0.8
62.05408	0.8
62.89615	0.9
63.75334	0.8
64.55388	0.8
65.03958	1.1
67.05507	3.7
69.03426	1.8
69.07061	2.4
70.06602	1.7
70.29636	3.0
70.29984	1.1
72.08139	0.9
79.05498	3.9
81.03407	3.1
81.07076	5.1
83.04932	1.1
83.08646	0.8
84.08165	1.1
85.06534	1.0
86.09713	1.4
91.05484	3.6
93.07065	2.0
94.72391	0.9
95.04962	5.0
95.08622	3.0
97.02921	1.1
97.06545	3.8
99.04436	1.9
103.05457	1.7
105.03407	1.3
105.07024	3.2
107.04955	2.2
107.08615	1.3
107.82849	0.8
109.02913	5.4
109.10155	1.4
111.04464	1.1
115.05447	1.6
119.04936	8.7
119.08578	1.5
121.06519	2.1
121.10184	1.9
123.04436	100.0
125.09642	1.4
127.03944	1.2
131.04950	2.3
133.06479	1.7
135.04434	2.5
137.02327	1.3
137.06023	3.9
139.03912	27.7
141.09135	1.6
143.04924	3.8
145.10190	1.4
147.04410	30.4
149.06020	2.7
151.03905	46.3
151.07523	2.0
152.04294	1.3
153.05501	1.5
156.16318	1.0
159.04431	1.2
159.11661	1.3
161.06000	13.0
163.03891	6.6
163.07573	1.4
165.05484	20.1
165.09119	1.3
167.07001	1.6
169.04927	1.4
173.05983	16.2
175.07626	2.2
176.04703	3.5
177.05501	15.2
177.09084	1.8
179.06981	4.4
181.04933	3.3
181.08577	3.7
189.05521	3.2
191.07013	5.4
191.10670	1.1
193.08606	47.3
194.09019	0.9
205.08551	3.5
207.06551	12.6
217.08585	1.0
219.06581	1.5
219.10168	17.4
223.09666	1.9
231.10217	1.6
237.11249	8.7
249.07411	1.4
249.11208	2.2
269.09280	1.8
285.07520	3.1
291.08450	5.0
303.08710	6.8
311.09415	2.6
327.12390	4.7
329.10214	14.2
345.13321	25.8
353.13699	4.4
371.15118	12.9
389.16476	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	389.1597
Annotation	Renealtin A
Peak:m/z	Relative Intensity
55.01880	5.0
55.05504	2.4
57.03441	2.0
65.03951	1.1
67.05502	2.7
68.99795	1.3
69.03416	1.3
69.07068	2.0
70.06599	2.0
70.78088	2.4
71.04972	1.2
77.03935	1.9
79.05484	2.1
81.03422	2.9
81.07053	4.1
83.04974	1.3
84.08150	1.1
85.02908	1.5
86.09712	2.6
91.05474	4.5
92.15757	1.0
93.07050	3.4
95.04953	4.7
95.08604	2.5
97.06537	4.3
103.05488	2.7
105.07023	3.0
107.04964	2.0
107.08612	1.6
109.02864	6.6
109.06505	2.0
109.10126	1.7
109.18431	0.9
119.04939	7.1
119.08564	1.9
120.08131	1.3
121.06506	2.4
121.10169	1.3
123.04434	100.0
125.06015	1.4
131.04979	2.3
131.08514	1.3
133.06506	1.3
135.04453	2.4
135.11780	1.2
137.02393	1.4
137.06027	5.4
138.06303	1.3
139.03905	29.0
139.04922	1.9
139.11322	0.9
143.04942	2.4
145.10152	1.6
147.04417	30.5
149.05992	3.0
149.09660	1.4
151.03909	48.8
151.07513	1.7
159.11592	1.4
161.05984	9.4
163.03908	6.5
163.07506	2.4
165.05481	21.2
165.09100	1.1
169.05017	1.6
172.03951	2.7
173.06003	14.7
175.07610	1.8
176.04712	3.0
177.05481	15.7
177.09108	1.7
179.03435	1.1
179.07074	5.8
181.04999	3.9
181.08652	3.3
189.05525	3.7
189.09143	1.1
191.07060	5.6
193.08611	47.2
203.07077	1.6
204.06609	3.5
205.08652	3.0
207.06525	14.5
207.10295	1.2
219.10152	20.0
223.09639	2.3
231.10226	1.4
237.11197	8.0
243.10269	2.0
249.07629	2.0
249.11333	2.6
255.06682	1.3
283.06207	1.5
285.07639	3.0
291.08539	4.5
303.08701	6.8
311.09299	2.9
323.46158	1.0
327.12259	5.1
328.20187	0.9
329.10306	14.0
345.09457	2.0
345.13351	25.8
353.13937	4.2
371.14920	14.4
389.16202	13.9
389.24069	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68796	4.3
62.44803	4.7
65.16602	4.7
68.02252	5.1
69.03418	6.0
69.78851	20.6
69.79250	8.0
72.08169	9.3
79.83494	4.6
80.53326	4.7
81.04510	7.3
84.04512	12.4
84.08144	18.4
85.02892	10.9
86.09692	19.1
97.02936	6.4
119.01897	4.8
127.03938	5.7
129.10248	9.3
140.08180	7.1
163.03926	13.3
184.63011	4.8
196.09290	4.9
221.03143	7.5
230.11647	4.6
345.09268	11.5
345.14963	14.0
389.08414	100.0
389.13824	27.0
389.24554	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	388.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.6
55.01875	7.8
57.03437	7.0
61.02921	5.9
68.99789	3.2
69.03430	33.3
70.06573	1.7
71.04976	4.5
73.02924	6.0
81.03433	20.4
84.08115	1.5
85.02908	100.0
86.09712	2.7
87.00829	44.1
97.02896	32.6
98.06052	1.3
98.20792	2.9
99.04462	13.7
103.03920	1.5
105.01871	64.7
105.07039	18.0
108.04509	3.2
109.02140	2.1
109.02876	25.3
115.03947	2.0
117.01877	1.6
119.08526	1.4
120.08102	1.6
121.10101	1.8
126.05453	1.7
127.03920	73.2
129.01849	3.8
137.05945	1.7
143.08516	1.8
145.04970	40.8
147.02869	3.5
159.02899	17.5
166.13087	1.7
171.02997	1.9
189.03957	4.1
208.14200	1.8
213.03880	4.3
230.06693	1.8
231.04996	24.1
248.07774	2.4
249.06105	5.9
274.79758	1.4
278.44016	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.8
54.10182	0.9
55.01870	1.9
56.04602	0.9
57.03431	1.2
61.02975	1.0
67.05492	1.9
69.03432	4.7
70.06587	4.5
71.04979	1.3
71.49506	1.4
72.08170	1.1
73.02952	1.3
79.05502	4.1
81.03432	4.9
81.07081	1.8
84.08159	2.4
85.02911	13.1
85.06547	1.2
86.09714	3.0
87.00857	5.8
91.05508	1.7
95.04995	1.2
97.02922	6.4
99.04476	2.2
99.62504	0.9
103.05511	2.0
105.01863	6.0
105.07037	100.0
106.07391	1.1
107.08601	1.2
109.02898	5.3
109.06528	1.7
119.08598	5.4
120.08113	1.1
121.10115	1.8
123.08060	1.1
125.09665	0.9
126.42202	1.0
127.03924	8.9
129.01897	1.1
131.04927	1.5
132.18359	1.0
137.05984	3.1
138.06322	1.4
143.08565	1.8
145.04980	4.8
147.08044	2.3
150.70749	1.0
155.06068	3.5
159.02940	2.0
159.08122	2.5
167.06059	1.1
169.07620	8.6
175.07564	1.2
179.06071	3.3
181.07524	1.6
182.08177	2.3
183.05545	3.2
184.07625	1.0
185.07152	2.7
185.09540	1.9
189.03951	1.1
193.07651	3.6
195.05498	6.4
195.08072	1.4
196.06348	3.8
197.07130	5.9
198.05531	1.5
207.05556	2.6
211.08699	0.9
213.06618	4.9
213.09114	2.8
221.07088	5.1
225.06604	11.4
227.08266	1.2
229.06111	4.0
231.04941	2.7
238.07498	1.2
239.08174	6.1
241.06041	1.2
243.07698	2.1
249.06712	2.3
253.06209	3.1
255.11258	1.4
257.05594	1.6
267.07773	4.2
271.07141	8.0
277.06189	3.3
283.10809	1.4
285.08752	10.0
295.07172	8.4
313.08151	10.8
328.09329	13.1
329.11331	4.1
357.10709	2.0
361.07281	1.5
370.10315	13.7
370.69348	1.1
388.11252	23.4
389.12796	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17159	0.9
53.03935	1.1
55.01881	1.4
57.03443	1.1
61.02942	1.2
61.09019	0.9
61.72453	0.8
62.96530	0.9
68.99765	1.4
69.03420	3.5
69.16199	9.4
70.06593	3.1
72.08163	1.4
79.05491	3.5
81.03403	3.6
81.07062	1.5
81.34593	0.9
83.04980	1.2
84.08124	1.5
84.26223	0.8
85.02914	11.1
86.09690	2.0
87.00822	4.7
88.25449	0.8
91.05457	1.1
95.04983	1.5
97.02895	3.5
99.04478	0.9
103.05453	2.7
105.01865	3.9
105.07037	100.0
106.07356	1.2
108.04468	1.5
109.02884	3.4
118.16790	0.9
119.08581	3.0
120.08097	1.2
127.03904	6.0
129.01822	1.1
131.08611	1.4
137.05960	2.1
140.04930	1.8
143.08563	1.8
145.04959	3.9
147.08052	2.5
155.06033	10.5
155.07167	1.4
159.02888	1.7
159.08012	1.4
165.51050	0.9
167.06049	3.7
168.06831	2.5
169.07614	20.3
170.06078	2.5
171.08092	1.2
179.06061	7.4
180.04599	1.0
181.07597	1.8
182.06047	1.3
182.08315	1.6
183.05521	9.6
185.07153	6.2
185.09546	1.1
189.03947	1.2
193.07600	8.7
194.06108	1.7
195.05566	17.8
196.06268	9.2
197.07126	16.1
198.05507	3.8
201.06711	1.0
207.05551	4.7
208.06233	1.5
209.07153	2.5
211.05066	2.8
211.08694	3.3
213.06613	11.7
213.08797	2.0
221.07103	13.2
223.05045	2.1
225.06586	32.4
226.07253	1.4
227.08281	1.4
229.06079	10.2
231.05086	1.5
232.08141	1.0
237.06555	2.1
238.07368	2.9
239.04565	2.1
239.08186	14.6
241.06100	1.9
243.07602	3.6
249.06630	6.3
253.06076	9.1
255.07608	1.8
257.05551	4.1
265.06058	1.8
266.06860	1.1
267.07703	12.0
269.05624	2.5
271.07166	16.9
277.06122	6.4
285.08743	20.5
286.08899	1.0
295.07120	20.5
313.08206	26.0
324.09995	1.7
328.09280	39.9
331.09195	5.0
342.10883	2.3
370.10355	40.3
371.10803	1.3
388.11383	47.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.8
55.05516	7.6
56.05052	0.5
57.03446	0.8
57.05824	0.5
61.02935	0.8
65.03944	0.4
67.05519	1.4
69.03439	1.8
69.07058	1.0
70.06601	7.6
70.47793	1.3
71.04993	0.4
71.06983	0.6
72.08160	100.0
73.08506	1.1
73.22890	0.4
74.06094	0.5
79.05489	0.9
81.03423	1.4
81.07064	1.4
83.04987	0.7
84.04507	1.6
84.08154	3.1
85.02925	4.2
86.09711	77.4
87.00816	0.7
87.10010	0.5
88.03037	0.5
91.05494	1.5
93.07052	1.4
94.06600	0.6
95.04985	1.3
97.02908	1.8
99.04507	0.7
100.07594	0.9
102.05522	0.4
105.07033	0.8
107.08585	1.0
109.02889	0.9
109.06520	0.6
109.13676	0.4
110.07145	0.6
112.07614	0.8
112.08714	0.8
118.06556	2.8
119.04913	0.5
119.08580	0.7
120.04485	0.4
120.08150	0.8
121.06540	1.9
122.06020	0.6
123.04445	0.8
123.08083	1.1
127.03909	2.0
129.10236	1.3
130.04996	0.7
131.08589	0.6
133.08659	0.5
133.10130	0.8
135.08055	0.7
135.59482	0.4
136.07590	0.7
137.06021	1.1
145.04979	0.8
147.04395	0.6
151.11153	0.5
161.13219	0.6
163.11165	2.0
167.07043	1.8
171.11514	0.4
171.14983	4.3
173.12814	0.7
175.10785	27.8
176.11066	0.5
181.12221	0.6
185.16504	40.0
186.16820	0.9
189.12489	1.8
191.14325	0.6
199.14397	2.9
206.08179	0.5
207.13809	7.8
210.11284	0.6
213.15997	29.2
225.14938	0.6
238.03922	0.5
238.95653	0.4
267.20633	0.9
274.17508	0.6
299.05615	0.7
312.22754	1.3
331.18762	0.5
343.13391	0.6
387.12234	1.8
387.16641	4.0
387.26862	0.9
410.75018	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2532
Annotation	Atranone E
Peak:m/z	Relative Intensity
53.03949	3.4
55.01878	6.5
55.05270	1.8
55.05515	19.8
57.03440	3.0
57.07076	2.7
65.03941	2.4
67.05511	29.2
69.03448	6.1
69.07070	14.9
69.80538	6.2
71.01350	1.0
71.04986	3.9
77.03937	1.3
79.05499	27.3
81.03424	17.8
81.07063	30.4
83.04995	6.6
83.08637	6.5
85.02916	4.8
85.06544	1.6
88.66097	1.1
91.05488	33.7
93.07059	26.4
95.01328	2.9
95.04980	8.9
95.08615	21.6
97.02898	6.6
97.06548	2.0
97.10178	3.1
98.21546	1.2
99.04459	3.3
99.08115	1.3
101.84424	1.1
102.35372	1.1
103.05486	1.7
105.03436	1.1
105.04515	1.7
105.07040	35.0
107.04971	8.4
107.08604	15.9
109.02895	2.7
109.06526	3.5
109.10177	7.7
111.04453	6.9
111.08083	2.2
113.06025	1.0
115.05470	3.4
116.06236	2.2
117.07023	22.2
119.08590	21.5
121.06545	6.0
121.10146	10.6
123.04448	8.4
123.08086	3.6
123.11702	1.9
125.09619	3.0
128.06209	6.8
129.07031	24.0
130.07785	1.2
131.04961	2.2
131.08582	30.8
133.06479	7.6
133.10146	16.5
135.04388	2.0
135.08101	4.2
135.11691	7.2
137.06027	3.2
141.06981	7.4
142.07806	4.6
143.08566	23.8
144.09300	1.5
145.06496	11.2
145.09032	2.3
145.10123	22.2
145.11282	1.3
147.04416	1.2
147.08040	7.7
147.11707	9.9
149.05998	2.2
149.09598	2.7
149.13258	2.2
151.07550	3.1
153.06961	2.2
155.08563	12.3
156.09361	3.0
157.06517	7.4
157.10161	14.1
159.08054	5.6
159.11717	15.4
161.05989	4.5
161.09621	3.9
161.13306	3.7
163.07440	1.2
163.11209	1.4
165.07013	3.3
165.09145	1.8
166.07764	2.3
167.08545	5.8
168.09259	1.9
169.06401	1.3
169.10170	10.7
169.24547	1.2
170.07272	1.4
171.08022	7.5
171.11696	11.9
173.09587	5.7
173.13271	8.9
175.07573	7.1
175.11229	4.7
175.14842	2.0
177.09126	2.0
179.08569	2.2
181.10130	4.7
182.10872	1.7
183.08107	4.7
183.11736	8.6
185.09634	7.3
185.13277	10.6
187.07579	2.9
187.11214	4.9
187.14847	3.5
189.09201	1.5
189.12816	2.4
191.10612	2.0
195.11740	4.6
197.09657	4.1
197.13229	6.9
199.11212	4.1
199.14767	5.9
201.12762	4.4
203.10736	2.3
203.14250	1.2
204.11508	1.4
205.12192	1.4
209.13289	5.0
211.11203	3.6
211.14851	4.2
213.12718	5.3
213.16411	3.1
215.10793	1.2
215.14333	2.0
217.12292	2.9
221.13322	1.5
223.14926	3.1
225.12804	3.0
225.16406	1.9
227.14365	4.4
229.12247	2.5
231.13860	2.5
239.14340	1.8
241.15796	1.2
241.19557	1.3
243.13977	2.3
249.16516	1.3
253.15887	1.4
255.17334	1.5
257.15332	1.4
271.16998	1.9
271.20590	2.5
275.20105	1.8
277.21634	4.4
285.22031	1.8
287.20105	1.7
289.21765	3.0
297.22107	3.1
299.23648	2.2
301.21753	2.6
303.16379	1.2
303.23251	2.6
313.21622	2.7
315.23190	2.5
323.23761	4.1
325.21414	2.1
327.23209	7.2
333.22308	2.4
341.24838	13.7
343.22372	2.5
345.24323	2.2
351.23224	16.5
352.23572	1.1
359.25879	3.7
369.24268	70.1
370.24634	3.5
387.25330	100.0
388.25827	4.2
392.10916	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2531
Annotation	Atranone E
Peak:m/z	Relative Intensity
53.03939	5.5
55.01867	5.0
55.05519	18.8
57.03440	3.0
57.07077	2.9
65.03941	2.3
65.24880	1.5
67.05511	33.9
69.03156	1.1
69.03442	14.6
69.07069	15.0
70.66298	3.7
71.04988	4.4
79.05074	2.3
79.05497	30.3
81.03424	17.9
81.07065	34.8
82.52169	1.4
83.04977	13.9
83.08634	8.7
85.02891	1.8
85.06541	1.8
85.71550	1.4
91.05486	34.2
93.07048	34.7
95.04958	10.2
95.08611	25.6
97.02892	11.5
97.06538	4.9
97.10155	3.0
99.04424	2.1
103.05498	2.5
105.04553	1.3
105.07030	33.4
107.04964	8.5
107.08605	17.7
109.02902	2.3
109.06509	3.7
109.10149	10.7
111.04445	12.0
111.08060	1.8
115.05464	3.0
117.07034	21.8
119.04942	2.6
119.08587	23.3
121.06490	6.7
121.10147	15.2
123.04437	5.1
123.08081	3.1
123.11667	2.6
125.05941	1.4
125.09641	2.6
127.03929	2.6
128.06223	5.2
129.07019	16.4
130.07817	2.3
131.04953	2.3
131.08568	25.7
133.06528	6.5
133.10146	20.3
135.04405	1.9
135.08075	3.7
135.11694	10.5
137.06010	3.0
137.09605	1.6
141.06981	6.0
142.07802	5.9
143.08566	20.3
145.06468	8.6
145.10123	18.5
147.08070	6.1
147.11726	10.5
149.05925	1.8
149.09621	4.2
149.13287	6.4
151.07506	1.5
153.06989	1.8
154.07736	2.1
155.08546	12.4
156.09360	2.4
157.06494	4.8
157.10127	13.7
158.07225	1.9
159.08046	6.2
159.11714	17.2
161.06006	2.4
161.09607	6.2
161.13271	6.3
163.07626	2.9
163.11143	3.5
165.07053	2.7
167.08575	4.8
168.09373	2.1
169.06393	1.5
169.10118	9.5
171.08086	8.0
171.11685	13.2
173.09628	5.7
173.13255	7.9
175.07613	5.1
175.11226	6.1
175.14815	2.5
176.91518	1.8
177.09132	2.4
177.12753	2.6
179.08592	1.5
181.10120	5.6
183.08099	3.2
183.11726	6.8
185.09641	4.5
185.13234	7.0
187.07565	2.3
187.11237	4.2
187.14777	3.5
189.09085	1.6
189.12744	2.9
191.14333	1.7
193.10249	2.2
195.11719	6.2
197.09616	3.8
197.13257	4.5
199.11235	3.9
199.14880	4.7
201.09045	1.9
201.12805	5.5
203.10794	1.9
209.13281	3.2
211.11211	2.5
211.14754	1.7
213.12767	3.2
213.16316	1.5
215.10753	2.4
215.14313	3.7
217.12303	2.5
223.14775	2.6
225.12743	3.1
227.14285	3.1
231.13860	1.6
241.15930	2.4
243.13904	1.8
253.15894	2.5
259.20593	2.5
271.17026	1.6
271.20627	1.8
273.22122	1.5
277.21692	12.4
281.22739	1.5
285.22159	1.6
289.21527	2.9
297.22067	2.8
299.20148	2.1
301.21664	3.6
313.21613	3.4
315.23297	3.5
317.21048	2.0
323.23718	3.1
327.23090	8.4
333.21991	2.5
341.24747	17.2
345.24280	2.9
351.23254	16.8
359.25848	2.3
369.24280	63.8
370.24582	2.2
387.25327	100.0
388.25766	2.0
388.60199	1.6
406.26471	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2015
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03941	7.4
55.01877	8.3
55.05502	11.4
57.03431	14.2
59.58773	4.3
60.04522	5.4
61.02912	4.8
67.05494	21.4
69.03436	29.2
69.07061	10.2
70.06313	4.5
70.06604	47.3
71.48552	5.6
71.48944	5.3
72.08149	26.5
79.05485	14.1
81.03415	15.1
81.07062	34.6
83.04971	10.4
83.06093	5.8
84.04509	7.7
84.08136	18.6
85.02920	28.0
85.06538	6.7
86.09711	99.8
87.04440	4.4
91.05475	20.0
93.07053	23.1
95.04966	9.8
95.08596	21.4
97.02891	13.7
97.06538	5.3
98.97604	9.5
99.04467	9.8
103.05470	6.1
105.07037	23.8
107.04938	8.4
107.08588	16.8
107.22344	4.8
109.02897	9.4
109.06545	11.6
109.10201	5.7
110.07145	6.8
115.08721	6.5
117.07008	6.1
119.08600	19.7
120.08126	6.9
121.06505	9.1
121.10159	20.1
122.03635	10.4
123.04421	13.0
123.08064	17.2
123.11693	11.9
125.09651	6.3
127.03911	8.2
129.10242	11.9
131.08549	10.4
133.10129	18.2
135.08055	13.8
137.05022	7.6
137.05989	85.2
137.09641	8.6
145.04958	8.6
145.10155	8.9
147.11633	13.5
149.09596	5.9
151.07535	13.4
151.11205	6.9
153.05482	5.9
157.13356	6.8
163.11223	23.5
167.07051	16.3
171.11642	6.4
177.09126	5.1
179.07092	5.4
181.04987	14.3
181.12308	9.6
189.12767	16.8
203.14084	7.2
207.13818	100.0
225.14880	21.4
281.09158	6.8
301.09738	5.6
309.08704	7.1
311.05664	7.4
319.10587	10.8
357.13141	8.3
387.14410	31.9
387.20200	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	387.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.9
54.43384	0.2
57.02983	0.2
58.78495	0.2
65.03939	0.3
67.05515	0.3
69.03430	0.7
69.07072	0.4
70.61942	0.4
77.03952	0.4
79.05069	0.5
79.05500	5.3
81.03418	0.7
81.07100	0.3
83.05045	0.3
91.05490	0.5
93.07051	0.6
95.04970	1.1
95.08599	0.4
97.02886	0.3
97.06528	0.7
103.05480	2.3
105.07039	100.0
106.07359	1.7
109.10200	0.2
119.04958	1.4
121.06528	0.3
121.10159	0.4
127.03925	0.2
131.05438	0.2
137.06021	0.4
139.07603	0.4
139.11266	0.4
159.11926	0.2
163.44418	0.3
167.10707	1.1
175.01599	0.9
180.03224	0.2
203.03444	0.3
236.89259	0.3
331.13260	0.6
387.19177	0.3
387.24884	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2016
Annotation	Staphylionoside A
Peak:m/z	Relative Intensity
55.01855	9.6
55.05506	17.6
56.05028	6.4
56.96574	6.4
57.03427	9.4
61.02922	8.6
67.05502	11.6
69.03432	30.2
69.07058	11.3
69.32092	35.3
70.06596	37.0
70.20106	4.0
71.05003	5.3
72.08155	45.5
73.02940	5.0
73.08448	4.2
79.05499	7.0
81.03416	15.3
81.07065	18.4
83.01315	3.8
83.04993	36.2
84.04497	6.4
84.08155	27.6
85.02904	58.4
85.06554	6.8
86.09710	100.0
87.04472	6.6
87.05587	5.1
88.04017	4.3
91.05476	8.9
93.07020	10.9
95.04958	8.3
95.08604	19.2
97.02886	26.6
97.06542	4.5
98.06071	4.0
98.97552	4.2
100.11234	5.4
104.05383	4.7
105.07018	11.1
107.04978	5.7
107.08576	10.5
109.02794	8.0
109.06519	11.7
109.10168	13.0
110.07191	6.7
111.08086	5.6
119.08590	10.5
120.08112	9.2
121.10169	4.2
123.04430	6.5
123.08111	19.8
123.11706	7.0
125.05974	4.3
125.09624	12.6
127.03918	17.3
129.10251	7.0
131.08632	4.9
133.10161	11.2
135.08060	4.3
136.07564	7.8
137.09631	13.2
139.11195	5.7
145.04951	10.7
146.06139	6.2
147.11687	6.3
149.09634	12.9
151.07542	10.9
151.11209	15.3
153.12733	19.3
157.13359	20.3
163.07591	5.7
163.11209	10.5
167.06992	21.1
167.10637	5.0
167.14302	7.1
185.12944	15.6
185.16489	7.9
189.12701	6.8
191.14447	3.9
195.13789	24.4
203.13910	16.3
204.23793	4.1
205.08521	5.1
206.08913	5.2
207.13826	42.9
213.15973	5.8
225.14856	9.6
387.16214	22.1
387.20145	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	387.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	1.3
55.05503	3.3
56.05037	2.8
56.96560	3.2
58.24595	1.4
59.72450	1.3
60.04512	1.6
69.03418	4.5
70.06211	1.8
70.06597	34.2
71.48046	2.3
71.48454	1.4
72.08160	14.0
74.02439	17.1
74.06078	4.7
81.03388	3.9
84.04492	4.5
84.08141	13.5
85.02907	11.7
85.35151	1.3
86.09697	7.1
88.03997	5.5
92.04992	4.7
96.04514	1.7
97.02885	4.4
98.97588	4.0
99.04430	2.2
109.02875	1.8
109.45284	1.4
110.06046	100.0
112.07639	2.8
112.08715	1.6
116.03481	2.1
116.07125	1.7
121.06730	1.4
123.04431	2.6
127.03905	3.0
128.98494	2.0
129.10254	7.9
130.04893	1.4
133.02834	8.0
133.23807	1.5
134.05995	5.7
138.09158	2.4
139.09572	1.6
145.04977	1.9
151.03938	2.4
152.07097	1.8
156.92123	1.6
161.02350	3.3
161.07130	5.5
162.05489	2.2
163.03899	6.0
167.07048	27.8
169.28094	1.7
173.12845	2.3
179.03494	1.6
179.08188	9.0
187.10832	1.9
190.04898	2.9
199.10727	1.6
203.10313	2.4
207.07608	15.8
207.13914	2.3
217.36266	1.4
223.04286	3.9
225.08723	48.2
226.15404	1.7
260.97412	4.0
267.09793	3.2
303.09451	2.2
343.13455	2.1
351.12082	2.0
386.98355	9.0
387.08331	1.9
387.12851	6.5
387.22797	2.0
387.27121	3.3
405.09079	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1287
Annotation	1-O-Sinapoyl-beta-D-glucose
Peak:m/z	Relative Intensity
53.03956	0.5
55.01862	0.5
55.05500	0.8
56.05028	0.6
56.96542	0.3
57.03439	0.7
57.05806	0.3
58.06593	0.4
60.04526	0.3
67.05507	0.4
69.03416	0.9
69.07062	0.5
70.06596	11.9
71.04982	0.5
71.48983	0.3
72.07758	0.5
72.08158	7.9
72.76899	0.2
74.06077	0.7
78.04727	1.7
79.05489	1.1
81.03406	0.7
81.07052	0.8
83.04976	0.4
84.04507	0.6
84.08157	1.4
85.02908	2.6
86.09708	8.8
91.05492	1.8
93.07043	1.2
95.01346	1.6
95.04997	2.1
95.08636	0.4
96.44476	0.3
97.02891	1.1
97.06554	0.2
99.04446	0.5
102.05542	0.3
103.05463	0.7
105.07040	1.7
106.04174	1.1
107.04993	1.5
107.08558	0.4
109.02896	0.7
110.07206	0.3
119.04988	0.3
119.08569	0.7
119.16162	0.2
120.08100	0.4
121.06514	1.6
121.07339	0.2
121.10111	0.4
123.04438	5.0
123.08051	0.4
124.05229	1.5
127.03905	0.8
127.08701	2.6
129.01917	0.3
129.10240	0.6
132.10207	0.8
133.06496	1.1
133.10101	0.4
134.03674	0.3
135.04362	0.3
135.08083	0.4
136.07587	0.4
137.05975	1.0
139.03929	0.3
139.08672	0.3
141.01840	0.7
141.10194	0.5
144.04979	0.3
145.04907	0.3
149.06023	1.6
149.09621	0.3
151.03909	1.3
151.07518	0.7
152.04706	1.1
153.09126	0.3
155.08186	1.9
157.09732	0.4
161.05977	0.9
161.13248	0.4
163.11182	1.0
166.06270	0.3
167.07048	100.0
168.07393	1.1
169.09816	0.5
171.14940	0.4
175.10695	1.2
175.12177	0.3
177.03984	0.3
179.06958	0.4
181.04932	0.4
181.08574	1.6
185.16476	3.6
189.12663	0.7
190.08875	0.3
190.30931	0.3
193.08601	3.6
194.09323	0.4
199.10735	0.3
206.09048	0.4
207.13838	2.7
211.09599	2.6
213.16034	2.6
215.13889	1.4
225.07541	0.5
225.14899	0.6
233.15051	0.4
256.12949	0.7
266.11102	0.5
286.17639	0.3
288.19290	0.3
301.12689	0.4
343.13818	1.8
346.23297	0.3
351.12350	0.3
369.19208	0.3
386.98563	0.3
387.12000	3.1
387.16382	1.2
387.21112	0.5
387.26981	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51748	0.3
59.12155	0.3
59.95762	0.3
60.86715	0.2
66.09669	0.3
69.54311	1.6
70.06597	0.5
71.14569	0.3
101.03259	0.3
102.04659	0.4
103.32160	0.3
115.05412	0.3
117.07014	0.9
126.65824	0.3
145.06488	1.4
158.03638	19.1
159.03947	0.4
173.05956	0.4
186.03125	37.3
201.05472	100.0
202.05806	1.5
204.13922	0.7
271.07541	1.0
298.51468	0.3
299.07001	0.5
311.07117	1.7
315.10132	0.4
327.06528	6.3
328.07202	1.3
343.09805	0.4
355.06049	2.0
387.08658	17.6
388.08884	0.8
399.41235	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	10.2
57.03432	1.4
58.98980	1.1
61.02932	2.2
64.86516	1.3
67.05497	1.2
68.77559	1.2
69.03437	4.7
70.06593	9.2
71.49317	2.1
72.08141	4.3
79.05506	1.2
80.76613	1.0
81.03446	1.8
81.07068	1.4
84.04514	1.9
84.08144	5.6
85.02908	9.5
86.09711	9.3
88.48984	1.2
91.05490	3.1
93.07029	1.7
97.02902	3.1
99.61363	1.2
105.07039	1.7
120.08093	1.4
120.50269	1.1
127.03944	1.5
129.10243	2.7
133.06418	2.3
133.10094	1.4
136.07556	1.8
137.05983	11.0
145.04974	2.2
147.04427	100.0
161.05980	5.1
167.07004	1.3
181.04968	2.0
189.05476	82.7
207.06558	34.6
207.08438	2.4
207.13873	1.3
386.14514	2.5
387.14801	2.2
403.82925	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02211	0.3
53.39378	0.3
55.01851	1.0
55.05491	0.3
56.12844	0.3
57.03412	0.5
60.04523	1.7
68.05005	1.0
69.03419	2.1
70.02605	0.5
70.02957	7.9
70.06264	0.4
70.06592	5.2
70.11941	1.3
72.08166	1.7
72.59418	0.3
73.02902	0.5
75.06216	0.3
79.05477	1.4
81.03418	0.5
81.07018	0.4
83.06094	0.4
84.04479	0.9
84.08131	0.7
85.02903	2.3
86.09686	0.5
91.05490	3.4
92.06284	0.3
93.07034	0.6
94.99316	0.4
95.04942	1.2
97.02877	1.1
103.05459	3.2
104.04993	0.7
104.06223	0.4
105.03327	0.4
105.07027	1.5
106.06559	1.0
107.04955	7.4
109.02907	0.6
110.07167	0.5
113.02274	0.3
115.05446	1.2
117.05757	0.8
118.04195	0.5
118.06531	4.4
119.04952	1.8
119.07326	22.0
120.05719	0.6
120.08070	1.4
121.06545	2.5
121.08564	0.5
122.06007	0.6
123.04396	0.9
123.29574	0.3
127.03924	0.5
130.06529	7.7
131.04033	0.6
131.04935	7.8
131.07327	6.6
132.04453	2.6
132.05698	6.5
132.08080	1.1
133.02861	2.5
133.05220	5.4
133.06464	1.3
134.03624	1.4
134.06018	7.3
135.04398	1.1
135.06781	1.9
136.07556	1.3
137.02312	0.5
140.01630	0.7
143.07268	2.3
144.05695	1.1
144.08035	0.4
145.05202	0.8
145.08839	0.8
146.06015	13.6
147.04445	2.1
147.06790	4.8
148.04002	0.6
148.05183	1.2
148.07573	1.8
149.05975	4.1
149.08344	0.7
158.06020	5.2
159.04608	3.4
159.06801	23.3
160.03952	0.9
160.05177	0.6
160.07539	1.8
161.04732	0.6
161.05995	0.8
161.08327	0.8
162.05505	1.8
163.03894	1.5
164.07005	0.4
169.13348	1.1
174.05502	7.6
175.06230	0.9
176.04703	6.7
176.07082	0.9
177.05469	12.1
177.07843	0.6
178.06021	0.3
179.08556	0.9
187.03908	7.1
195.08080	0.8
197.12837	0.9
199.07623	0.4
205.04964	46.3
206.05292	0.8
207.07959	0.4
211.07570	1.1
219.08028	0.4
223.05998	25.3
224.08513	0.8
224.10777	0.9
225.09038	2.6
227.09470	0.4
229.85059	0.4
231.08014	0.8
235.07671	0.5
236.08372	0.4
237.09120	2.4
240.10237	1.3
241.08585	12.0
247.07541	0.7
249.09103	0.9
250.08916	0.5
252.10239	2.7
253.08614	1.6
253.10942	0.6
254.11760	2.2
255.10100	0.7
257.08072	1.0
259.07574	0.5
262.08859	0.4
264.10187	4.6
265.08423	0.7
265.11026	2.7
266.11743	3.7
267.11362	0.6
268.09695	1.3
269.08054	0.9
270.11246	7.8
276.10266	1.3
276.76440	0.4
277.10983	0.8
278.11725	3.9
279.11288	0.5
280.09705	3.4
280.12137	0.6
281.07916	0.6
281.12869	1.1
282.11249	4.9
283.14471	1.0
286.17633	0.5
293.12863	11.1
294.11206	8.3
295.14499	2.7
296.09430	0.4
296.12723	0.6
299.09213	0.5
309.12595	0.8
310.10672	1.9
311.08716	0.4
311.09897	0.4
311.13916	6.9
312.12280	2.3
321.12338	1.2
322.10791	1.4
325.11823	0.5
327.13437	0.6
328.11795	0.6
339.13391	18.4
340.11584	0.7
355.13016	0.6
356.11411	1.2
357.14426	4.9
367.12866	12.9
367.25934	0.6
368.13281	0.5
385.13950	100.0
386.14285	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	385.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20787	0.3
53.03935	0.5
55.01855	1.0
56.66323	0.3
59.04970	0.3
60.04533	2.0
68.05009	1.1
68.99799	0.5
69.03409	1.1
69.56017	0.3
70.02595	0.6
70.02956	8.0
70.06259	0.5
70.06599	6.4
71.47192	0.4
72.08141	1.4
73.02929	0.4
79.05486	1.7
81.03403	0.5
84.04491	0.7
84.08134	0.5
85.02909	3.0
88.39143	0.3
89.88879	0.4
91.03967	0.3
91.05491	3.1
93.07038	0.4
95.04952	1.2
97.02885	1.4
100.11242	0.4
103.05453	3.1
104.04963	0.4
105.07018	0.9
106.06538	0.7
107.04961	7.5
108.05713	0.3
115.05447	1.3
116.06215	0.3
117.05751	0.5
118.04167	1.0
118.06554	4.3
119.04998	1.8
119.07330	21.5
120.05705	1.0
120.08125	0.8
121.06516	2.4
121.08601	0.4
122.06018	0.6
123.04427	0.9
127.03905	1.0
130.06540	5.7
131.04942	7.6
131.07321	5.4
132.04459	2.1
132.05701	6.1
132.08061	0.6
133.02884	2.3
133.05223	3.8
133.06448	1.5
134.03630	1.0
134.06024	7.1
135.04393	1.0
135.06837	1.6
135.07835	0.3
136.06157	0.6
136.07555	1.3
136.51146	0.3
140.01637	0.6
143.04918	0.5
143.07263	1.8
144.05672	1.2
145.05144	1.2
146.06017	14.1
147.04442	2.3
147.06812	5.6
148.03891	0.9
148.05202	1.9
148.07567	1.2
149.05988	3.8
150.05437	0.4
158.06015	4.5
159.04628	3.3
159.06808	22.6
160.03957	0.6
160.05215	0.8
160.07594	1.9
161.05946	0.5
161.08340	1.3
162.05513	1.4
163.03888	1.4
165.05397	0.4
169.13329	0.8
174.04141	0.6
174.05530	8.6
175.06276	1.0
175.12013	0.4
176.04712	6.6
176.07076	1.3
177.05487	11.2
179.08566	0.6
186.05511	0.4
187.03920	6.6
195.08038	0.6
197.12968	0.8
199.07433	0.4
205.04974	48.6
206.05240	0.8
210.06712	0.7
211.07436	0.5
213.09207	0.5
223.06009	24.8
224.06395	0.7
224.10744	0.9
225.09071	2.1
231.08130	0.6
234.06708	0.4
234.67224	0.3
235.07661	0.6
236.08372	0.5
237.09137	2.4
240.10234	1.2
241.08629	11.3
247.07512	0.4
248.08232	0.5
248.10727	0.5
249.09085	0.8
250.08812	0.4
251.07074	0.5
251.09315	0.6
252.10146	2.1
253.08595	1.8
253.10895	0.5
254.11760	1.8
257.08127	0.9
262.08490	0.4
264.10181	5.2
265.08670	0.7
265.11005	2.8
266.11752	3.9
267.11221	1.2
268.09622	1.0
268.12082	0.5
269.08087	0.7
270.11261	7.6
276.10117	1.7
277.11154	0.6
278.11768	3.5
279.11264	0.4
280.09595	3.7
280.12164	0.3
281.07993	0.5
281.12927	1.6
282.11285	5.7
283.14420	1.0
286.17731	0.6
293.12842	12.0
294.11188	8.3
295.14511	2.1
296.09274	0.8
296.12598	0.6
299.09250	0.4
309.09576	0.5
309.12650	0.5
310.10748	1.6
311.13895	7.8
312.12259	1.7
316.11569	0.4
321.12186	0.8
322.10547	1.9
325.11768	0.4
327.13406	0.8
328.11649	0.5
339.13419	16.7
340.13855	0.6
355.12790	0.8
356.11246	1.3
357.14490	4.5
367.12921	12.2
368.13397	0.8
385.13983	100.0
386.14227	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	384.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50513	2.6
55.01859	7.9
55.05507	3.0
57.03415	4.0
57.07085	3.1
58.53744	2.3
61.02917	5.1
62.30136	2.5
66.31772	3.4
67.05490	7.8
68.99780	2.9
69.03432	34.6
70.06601	20.0
70.25199	2.4
70.46764	8.1
71.04993	5.1
72.08154	8.1
73.02905	8.7
81.03429	27.1
81.07071	12.2
83.04962	2.9
84.08135	9.2
85.02906	92.2
86.09711	14.6
87.00828	48.5
87.53167	2.4
88.04723	2.4
91.05454	3.1
97.02882	35.8
98.21486	3.1
99.04446	10.8
105.01871	79.0
105.02579	4.1
105.07043	4.7
107.04955	4.0
107.08571	3.0
109.02872	30.5
110.07168	4.7
115.05422	8.6
120.08104	3.4
120.99535	3.7
121.06484	3.7
123.11678	7.8
127.03922	76.6
129.10207	3.1
131.04930	11.4
135.04361	4.1
136.07581	4.4
137.05960	4.1
141.12759	9.5
143.04889	6.6
145.04974	28.5
153.04103	2.8
153.05457	9.3
159.02913	5.8
159.04427	4.4
161.05933	3.2
163.03922	12.9
164.10719	26.0
165.01825	15.4
166.02162	9.6
171.06488	3.7
183.02843	5.6
187.03899	32.9
187.13310	3.4
193.93816	2.7
205.04935	20.8
213.03906	3.3
231.02637	4.3
231.04980	33.5
249.05991	16.9
275.07654	16.0
293.08774	16.3
299.05573	22.3
300.05856	100.0
376.52515	3.1
384.07376	4.8
384.11560	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	384.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65969	4.5
53.37141	4.6
57.03430	5.3
58.24936	3.7
59.60946	4.3
61.02931	11.4
69.03435	30.1
70.06602	8.0
70.16861	16.6
73.02914	7.1
81.03423	23.9
85.02906	100.0
87.00838	46.2
87.95559	4.6
95.48454	4.2
97.02919	36.5
98.21443	5.9
99.04469	14.0
105.01877	64.8
109.02896	26.3
127.03934	59.9
145.04984	37.1
159.02931	13.3
213.03873	5.3
231.04984	21.0
249.06129	5.5
358.44125	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	384.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50513	2.6
55.01859	7.9
55.05507	3.0
57.03415	4.0
57.07085	3.1
58.53744	2.3
61.02917	5.1
62.30136	2.5
66.31772	3.4
67.05490	7.8
68.99780	2.9
69.03432	34.6
70.06601	20.0
70.25199	2.4
70.46764	8.1
71.04993	5.1
72.08154	8.1
73.02905	8.7
81.03429	27.1
81.07071	12.2
83.04962	2.9
84.08135	9.2
85.02906	92.2
86.09711	14.6
87.00828	48.5
87.53167	2.4
88.04723	2.4
91.05454	3.1
97.02882	35.8
98.21486	3.1
99.04446	10.8
105.01871	79.0
105.02579	4.1
105.07043	4.7
107.04955	4.0
107.08571	3.0
109.02872	30.5
110.07168	4.7
115.05422	8.6
120.08104	3.4
120.99535	3.7
121.06484	3.7
123.11678	7.8
127.03922	76.6
129.10207	3.1
131.04930	11.4
135.04361	4.1
136.07581	4.4
137.05960	4.1
141.12759	9.5
143.04889	6.6
145.04974	28.5
153.04103	2.8
153.05457	9.3
159.02913	5.8
159.04427	4.4
161.05933	3.2
163.03922	12.9
164.10719	26.0
165.01825	15.4
166.02162	9.6
171.06488	3.7
183.02843	5.6
187.03899	32.9
187.13310	3.4
193.93816	2.7
205.04935	20.8
213.03906	3.3
231.02637	4.3
231.04980	33.5
249.05991	16.9
275.07654	16.0
293.08774	16.3
299.05573	22.3
300.05856	100.0
376.52515	3.1
384.07376	4.8
384.11560	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	384.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
69.66914	9.2
70.06596	9.8
72.08144	3.8
74.34559	1.6
84.08120	4.8
85.02887	4.1
86.09697	4.0
97.02879	2.5
98.21616	1.7
101.62381	2.0
103.05466	1.8
105.07014	3.8
107.04946	5.6
115.05444	16.8
118.34212	1.7
120.08092	5.6
129.10255	2.8
131.04939	18.8
133.06458	4.2
135.04401	4.8
143.04929	19.4
159.04425	10.4
161.06021	5.4
163.03911	43.9
187.03911	100.0
188.04219	2.5
205.04968	66.0
207.11226	3.1
233.88644	1.8
384.11392	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.129
Annotation	Unknow
Peak:m/z	Relative Intensity
68.81899	2.1
69.03420	3.2
70.06576	4.6
71.00395	4.6
77.03919	2.2
81.03417	3.4
85.02898	13.9
87.00818	3.2
97.02882	6.6
99.04476	2.0
105.01875	7.3
105.07043	2.8
107.04961	7.9
109.02847	3.2
115.05462	26.1
117.04676	2.1
127.03922	7.0
131.04929	26.4
133.06509	3.2
135.04407	4.2
141.12793	2.4
143.04903	18.2
159.04388	12.5
161.06000	5.2
163.03918	43.5
164.04199	2.3
165.01859	4.1
185.60934	2.0
187.03917	100.0
194.11871	2.0
205.04971	67.7
299.05621	4.0
300.05908	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	383.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	8.2
55.05497	14.8
56.01179	3.6
57.07064	14.3
59.04987	7.1
67.05511	38.9
69.03423	12.4
69.07073	7.8
71.05008	4.9
71.48643	5.3
79.05500	41.8
81.07060	41.2
83.04971	8.5
83.08634	5.2
85.06542	6.3
89.61372	3.3
91.05489	45.4
93.06498	5.9
93.07053	100.0
93.62998	3.2
95.04993	20.8
95.08611	45.0
97.06520	11.9
98.95886	3.1
103.05474	3.6
105.07036	77.4
106.15277	3.1
107.08595	44.7
109.06509	19.7
109.10150	27.3
111.04443	7.4
111.08079	6.2
115.05426	4.5
117.07011	10.8
119.08582	51.5
120.09339	5.0
121.06536	17.1
121.10155	49.8
123.08081	23.8
123.11719	3.5
125.06011	5.4
128.06229	4.1
129.06987	9.5
131.08571	30.9
133.06509	8.5
133.10112	29.0
135.08055	24.7
135.11757	6.5
137.05960	9.6
137.09602	12.8
141.06940	7.0
142.07799	18.0
143.08586	22.0
144.09334	4.8
145.10147	34.8
147.08089	21.5
147.11700	18.4
149.09601	32.3
151.07555	37.4
155.08572	7.3
156.09361	6.3
157.10139	33.9
159.08072	9.2
159.11691	18.2
161.09612	18.7
161.13297	6.7
163.11209	8.4
165.09114	43.3
166.09262	3.8
169.10141	5.6
170.10928	4.3
171.11626	9.8
173.09619	12.7
173.13261	9.3
175.11186	21.3
175.14868	8.0
177.09106	15.7
179.14359	7.4
181.12273	4.4
183.11670	5.2
185.09734	4.8
185.13263	14.4
187.11203	6.7
187.14801	4.7
189.12747	12.5
191.14178	5.2
193.64169	4.2
197.13278	6.9
199.14708	4.2
201.12752	9.9
203.14323	32.2
207.13829	13.4
209.13257	5.0
209.15387	5.6
211.11320	3.9
213.12729	5.1
215.14339	4.7
219.13663	5.6
221.15381	83.8
227.14186	4.8
233.15428	9.7
234.16115	12.7
271.15472	4.4
281.19098	3.3
287.19919	5.0
299.20062	7.6
303.19565	7.9
365.24750	9.5
366.08475	3.4
383.25674	63.4
383.29971	5.8
384.25989	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	383.2582
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
51.00883	2.8
51.02349	2.3
53.03941	8.2
55.05509	12.8
57.03434	3.3
57.07075	10.0
59.04995	8.3
64.07547	2.5
67.05508	29.9
69.03445	13.2
69.07067	6.3
69.25055	5.2
69.25454	22.0
71.04996	4.6
73.26755	2.6
74.84787	2.5
79.05496	35.1
81.03388	4.1
81.07065	32.1
83.04971	10.2
83.08624	6.4
85.06559	4.8
86.77781	2.5
91.05487	51.5
93.07047	100.0
95.04979	29.4
95.08607	39.5
97.06533	14.9
103.05451	4.0
105.07040	68.8
107.08596	42.6
107.56590	3.2
109.06528	21.1
109.10146	19.6
111.08083	10.6
115.05509	6.7
116.06263	3.3
117.07011	14.0
119.08590	55.4
120.09384	3.0
121.06554	13.8
121.10143	34.1
123.08073	31.7
125.05975	2.5
128.06195	6.8
129.07022	12.3
130.07774	4.2
131.08563	29.3
133.06500	7.8
133.10132	29.3
135.08061	21.5
135.11693	5.3
137.05986	3.7
137.09607	11.0
137.62207	2.4
141.06967	3.6
142.07803	20.9
143.08586	23.8
144.09340	4.5
145.06435	2.8
145.10136	30.7
147.08064	28.1
147.11713	16.2
148.08763	3.3
149.09627	25.3
151.07545	38.3
153.09105	4.4
155.08585	8.2
156.09360	8.7
157.10127	37.7
159.08051	9.6
159.11722	17.4
160.08849	3.6
161.09613	21.9
161.13292	9.8
163.11226	8.4
165.09119	35.9
169.10156	6.2
170.10962	5.5
171.11684	8.7
173.09619	10.8
173.13307	8.4
175.11234	21.5
175.14839	8.7
177.09128	11.7
179.10738	3.9
182.10941	3.9
183.11720	5.9
185.09709	3.2
185.13254	20.1
187.11153	6.8
189.12723	12.3
191.14267	4.8
195.11752	5.4
197.13181	6.1
199.11174	4.8
201.12720	7.5
203.14305	29.4
207.11946	3.5
207.13876	11.5
209.13414	5.4
209.15482	7.5
211.14893	3.0
213.12682	3.1
215.14362	8.3
217.12181	3.2
219.13809	9.4
221.13281	2.2
221.15372	63.6
227.14380	4.6
229.12317	3.6
233.15302	3.8
234.16124	8.4
241.15868	2.9
253.15984	3.4
271.17026	3.2
281.18982	3.6
286.19333	3.8
287.19986	11.2
303.19556	9.9
365.24799	11.7
383.25833	71.8
384.26337	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	383.2583
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
51.89275	2.9
53.03946	8.8
55.01864	2.9
55.05508	16.3
57.07064	8.3
59.04986	8.9
59.20878	2.6
63.50740	2.8
65.03951	4.4
67.05511	33.8
69.03442	18.7
69.07061	10.9
70.88490	7.1
71.04990	8.3
79.05505	36.5
81.07058	38.9
83.04980	9.0
83.08637	6.8
83.69341	3.1
91.05484	51.8
93.07050	100.0
95.04971	30.6
95.08613	39.6
95.93890	2.8
97.06540	13.6
105.04507	3.1
105.07039	88.1
107.04951	4.6
107.08611	53.0
109.06520	26.9
109.10168	20.2
111.04441	3.0
111.08092	12.3
115.05461	4.4
116.06252	3.4
117.07027	15.1
119.08592	58.0
120.09369	5.2
121.06501	16.3
121.10145	43.1
123.08071	29.3
128.06271	7.4
129.07001	11.0
130.07840	5.1
131.08591	31.1
133.06517	10.1
133.10146	38.5
135.08046	27.0
135.11696	8.7
137.05998	4.1
137.09616	11.0
141.06992	6.5
142.07782	25.5
143.08546	28.0
145.06532	3.5
145.10123	43.5
147.08089	24.2
147.11702	16.8
148.08810	5.8
149.09630	31.4
151.07552	39.3
153.09052	4.4
155.08559	10.1
156.09337	7.8
157.10133	36.4
159.08083	13.2
159.11687	17.9
160.08853	5.9
161.09592	26.5
161.13307	9.2
163.11208	8.9
164.52560	3.0
165.06970	3.8
165.09125	39.2
167.08517	4.1
169.10155	10.1
170.10936	5.7
171.11700	9.7
173.09659	12.7
173.13264	8.3
175.11186	23.1
175.14856	9.9
177.09094	11.5
181.12296	3.4
183.11707	9.2
185.09682	3.0
185.13245	18.4
187.11255	4.6
187.14772	6.6
189.12833	13.7
191.14322	6.0
195.11732	3.9
197.13281	9.0
199.11206	4.8
199.14909	5.5
201.12762	7.2
203.14339	25.0
207.13731	15.7
209.13332	7.6
211.14755	3.8
213.12706	6.5
215.14307	13.1
216.15007	4.0
219.13809	7.1
221.13339	3.2
221.15370	61.5
221.17369	2.5
227.14417	5.1
232.12347	3.4
233.13300	3.2
233.15382	11.0
234.16068	14.7
281.18869	4.9
286.19351	4.3
287.20078	11.3
299.20139	7.4
303.19394	7.8
309.64938	2.7
325.21887	3.2
365.24765	9.9
383.25848	76.6
384.26532	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	12.8
55.01849	8.2
55.05508	47.9
56.05037	14.7
60.04517	11.5
61.02951	16.8
63.04490	10.8
63.71294	7.6
68.10853	8.5
69.03423	24.8
70.06597	100.0
70.99232	10.1
70.99565	16.8
71.04996	10.9
72.08163	60.9
73.06534	12.9
75.04488	40.1
75.17390	6.8
81.03419	16.4
81.07051	14.2
84.04493	19.0
84.08147	39.4
85.02919	68.6
86.09709	21.2
87.00826	23.0
91.05479	11.9
94.88773	8.2
97.02892	25.8
99.04459	11.8
100.11246	7.3
105.01858	19.1
107.84117	7.6
109.02895	22.1
110.07170	31.5
112.08688	11.8
117.03383	17.1
117.09138	42.6
120.08122	11.9
127.03925	45.3
129.10297	10.8
135.10161	81.4
136.07603	10.2
145.02783	37.9
147.04388	13.1
153.01888	10.8
160.08688	22.8
163.03983	13.8
164.07146	11.1
175.03833	10.1
177.05478	57.3
179.03456	9.3
187.03917	21.1
208.05980	9.7
219.06546	9.8
221.12202	12.6
251.09096	15.4
268.64178	9.0
275.13898	23.3
299.05740	10.6
305.14847	10.2
348.18097	11.5
352.13141	8.3
365.20636	46.2
383.13159	29.4
383.17398	10.2
383.22147	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	383.1492
Annotation	Gancaonol A
Peak:m/z	Relative Intensity
55.01849	1.3
63.66848	0.3
67.05499	0.8
68.99774	0.6
69.83113	0.7
69.83508	0.7
81.03365	0.5
81.07025	0.4
91.05473	0.3
98.39355	0.3
109.10126	1.0
115.05447	1.1
117.07040	2.4
123.00803	1.6
127.05487	1.5
137.02364	1.8
141.01845	3.2
144.16454	0.4
145.06496	9.1
147.04431	2.4
155.06062	0.3
161.13139	0.3
165.01852	26.7
179.08536	0.5
183.01393	0.4
183.02916	4.9
193.74951	0.3
213.05508	0.3
253.08560	0.3
263.06937	1.4
281.08081	0.8
291.06509	2.4
296.06854	0.7
309.07587	26.9
310.07944	0.6
327.08649	100.0
328.08990	2.5
383.14917	11.5
384.15207	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1491
Annotation	Piscerythrinetin
Peak:m/z	Relative Intensity
54.37077	1.3
55.01817	1.2
55.05503	2.1
58.02019	1.4
64.80833	1.4
67.05504	10.9
67.62650	1.5
68.99781	2.0
69.03430	2.4
69.07054	4.4
71.04984	4.5
71.34536	1.6
73.32574	1.4
79.05481	5.2
81.07040	3.6
83.04996	1.8
85.02859	1.4
91.05476	5.8
93.07030	4.4
95.04977	2.8
95.08609	10.3
103.05462	1.8
105.07026	4.3
107.04983	1.8
107.08607	6.0
109.06488	2.0
109.10162	2.8
111.04424	2.3
113.56077	1.5
117.07005	2.0
119.04926	1.4
121.06541	1.4
121.10123	2.1
123.08019	1.6
131.04918	6.4
133.06488	1.4
133.10046	2.8
135.04382	1.8
135.08089	6.6
135.11760	1.6
145.10107	3.3
147.04376	2.1
147.11633	1.5
149.02364	2.4
151.07578	2.3
153.01849	42.3
157.02873	2.6
157.06541	1.5
163.07544	4.5
163.93532	1.4
165.01787	2.4
183.02771	1.8
185.06104	1.7
187.11150	1.6
199.07549	5.6
199.11137	1.9
203.03377	4.6
211.98198	1.4
227.07025	4.0
239.10774	2.2
255.06517	28.9
267.06720	1.9
271.06107	3.4
283.06039	100.0
284.06424	2.5
295.05930	2.1
297.07672	1.8
309.07639	12.1
315.04956	1.8
323.09143	4.5
327.08624	5.6
347.12741	4.5
365.10413	2.9
365.13931	37.3
383.11078	3.5
383.15231	10.1
383.25488	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.8
56.96566	5.4
57.03423	4.2
60.04526	3.2
61.02931	4.3
64.79897	1.8
69.03424	10.4
70.06586	3.7
70.13876	5.9
70.14236	3.5
71.04994	1.6
72.74946	1.6
73.02902	2.2
77.37874	1.6
81.03408	8.2
82.02882	1.8
85.02908	32.5
91.05503	2.2
94.06569	3.1
97.02888	6.3
98.47356	1.8
98.97596	5.3
99.04512	2.1
100.07516	2.0
103.03976	2.1
106.52747	2.0
109.02874	3.5
110.07172	7.5
110.97628	2.7
116.98635	1.8
118.06555	7.4
118.98553	2.1
119.04935	2.6
119.79469	1.6
127.03903	4.1
130.06538	69.2
130.07512	4.0
132.04480	20.6
132.08081	6.9
135.04398	2.1
136.06184	4.2
136.07590	19.0
142.06517	4.3
143.01990	2.1
144.08104	24.2
145.07619	22.7
146.06049	13.7
148.07568	5.6
154.06523	5.3
156.06764	2.7
156.08073	3.1
157.07620	66.9
157.08904	4.0
158.06017	54.5
159.09174	8.1
160.07553	4.8
163.03915	13.1
169.07639	9.5
170.06036	3.4
171.09227	9.3
172.07581	12.8
173.07115	2.5
174.05544	6.2
175.08669	60.2
176.07124	3.5
181.07561	3.9
182.08363	3.1
183.09190	15.7
184.07628	2.9
185.07098	14.3
186.05482	5.2
187.08592	3.1
188.07092	2.2
197.07086	3.0
199.08669	10.9
200.07068	18.7
203.08159	100.0
204.06625	4.6
207.09120	3.3
209.07173	10.0
215.08154	2.1
216.06674	3.5
216.08858	4.3
217.09714	34.5
221.03127	9.9
221.09221	49.6
227.08205	8.5
228.06573	3.2
231.07657	8.3
238.08551	2.1
239.10191	3.2
245.09248	25.3
251.08844	8.5
252.42143	2.0
256.09573	2.3
257.09259	2.7
261.78653	2.2
263.04102	3.7
263.10294	49.5
274.10541	2.2
281.05020	6.8
284.27951	1.7
293.09235	1.9
299.10275	5.2
301.11996	2.6
311.09912	2.0
323.06268	2.6
329.11346	4.5
347.12521	9.8
348.10657	10.3
365.13419	29.5
383.07547	8.8
383.14456	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	382.999
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09786	0.3
56.96574	6.3
70.47082	0.3
70.52945	1.0
71.95269	2.3
75.50911	0.3
79.46420	0.3
90.06508	0.3
98.97591	100.0
116.98628	40.8
134.99669	9.8
140.00217	0.7
142.48283	0.3
153.00751	0.5
177.00938	0.4
178.01166	0.4
181.97440	0.4
187.81345	0.3
198.97763	0.8
216.98834	1.2
219.02000	0.6
234.99866	1.2
240.98677	5.6
256.96991	0.4
258.99796	68.7
259.99918	2.3
261.00146	0.6
261.03012	0.9
262.03098	0.4
263.02963	0.5
274.97903	0.4
277.00842	66.7
278.00992	2.1
279.01157	0.4
282.01285	1.2
282.99973	3.1
283.99902	0.5
295.01892	0.4
298.97864	0.4
299.98260	0.3
300.02408	1.1
301.01013	3.7
302.01166	0.5
303.01038	0.5
308.43359	0.3
317.98917	0.8
334.92520	0.5
359.00150	1.6
359.99997	0.5
376.93262	0.4
382.99966	1.9
397.92310	0.4
401.01157	8.0
402.01190	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26384	2.7
53.03935	4.6
54.00755	2.7
55.01865	4.0
55.05510	17.3
56.05031	8.0
56.16500	2.5
57.03411	4.3
57.50409	2.9
60.04529	21.8
67.05492	6.3
69.03446	18.3
69.07071	4.4
70.06596	52.7
71.04977	4.3
71.48224	2.8
71.48578	3.5
72.08163	31.2
74.06094	4.8
79.05474	4.6
81.03414	7.6
81.07050	10.1
83.04984	17.7
83.06078	3.2
84.04509	14.5
84.08144	36.2
85.02909	26.7
86.09705	20.6
87.00804	6.4
87.06644	3.1
89.03893	8.4
91.05466	8.1
93.07025	7.4
95.04935	4.8
95.08596	11.4
97.02911	14.2
97.03452	3.5
97.06520	6.1
99.08101	40.4
101.05995	19.1
102.05486	6.2
105.01846	12.3
105.07002	3.8
107.04929	3.6
107.08591	7.3
109.02902	6.4
109.06506	5.2
110.07180	26.7
113.05982	7.1
117.03358	10.3
117.09136	12.2
119.04987	3.4
119.08516	3.5
120.08104	18.1
121.10139	6.6
123.08131	4.1
124.03934	4.5
125.09628	44.7
127.03942	15.3
129.05507	5.7
129.06767	2.7
129.10233	19.4
131.08553	3.9
135.04424	11.8
136.06204	6.0
136.07588	5.3
139.11191	25.1
145.02858	7.4
145.04947	6.9
147.04364	3.6
149.09647	6.2
156.07661	11.0
163.03915	54.0
164.07109	3.4
167.10672	24.2
185.08168	4.9
185.11737	100.0
186.07405	3.8
203.12773	11.9
220.11902	5.4
234.96782	3.8
317.21417	3.6
364.26990	5.5
382.15961	6.4
382.27975	6.9
383.13107	3.9
409.02057	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	382.1708
Annotation	Zeatin 9-glucoside
Peak:m/z	Relative Intensity
56.05013	2.1
57.07059	2.5
58.59490	1.7
59.04985	2.9
60.04519	5.2
63.87602	1.7
67.05482	3.2
69.03429	2.6
69.07072	2.3
70.02931	2.4
70.06590	10.8
71.40373	2.8
72.04525	8.3
72.08156	7.0
73.02936	2.3
74.06091	2.3
81.03435	2.6
83.06142	2.2
84.04492	6.0
84.08144	6.6
85.02900	6.8
85.06548	4.8
86.09693	7.5
88.07630	6.8
90.05562	57.0
90.28680	1.9
91.05480	2.2
95.04955	4.4
97.02895	2.8
98.02428	8.9
99.08089	4.1
103.05456	2.3
103.07594	3.9
110.07166	8.3
116.03464	7.6
119.04919	2.3
120.08109	31.2
121.06547	2.6
124.07614	10.3
128.10780	1.9
129.10223	2.8
136.07593	5.1
142.08612	3.7
156.07672	3.0
158.97507	1.9
162.09132	4.1
163.03944	3.5
166.08682	3.2
184.09698	14.3
202.10786	22.7
207.11337	8.0
220.11813	100.0
221.12727	3.4
235.10861	4.0
239.37068	2.3
262.14755	2.2
405.82684	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	381.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74590	1.2
53.03944	3.0
55.05515	17.2
57.03429	4.3
57.07061	5.8
61.02903	1.2
65.03929	2.3
67.05509	94.7
69.06742	1.3
69.07076	16.5
70.65820	1.4
70.66196	3.5
71.08598	1.5
71.74455	1.1
74.72220	1.2
76.78836	1.1
79.05497	42.0
81.07062	100.0
83.08640	8.2
91.05481	21.4
93.07053	54.4
93.07645	2.5
95.04932	2.2
95.08612	80.3
97.06523	1.6
97.10172	4.1
105.07030	16.3
107.08601	30.7
109.10168	43.2
111.08099	2.6
113.98820	1.4
117.07018	7.3
119.08586	13.5
121.10160	32.2
123.11707	21.7
125.09665	1.5
131.08568	15.6
133.10138	12.3
135.11691	25.1
137.13210	7.9
145.10124	13.0
147.11674	9.3
149.13268	15.9
151.14774	2.4
159.11725	11.7
161.13278	7.0
163.14822	5.8
173.13303	11.7
175.14828	4.0
177.12811	2.3
177.16400	4.2
187.14891	8.3
189.16409	4.0
191.17976	2.6
201.16388	3.0
215.18074	1.6
233.19032	2.3
247.20547	2.6
261.25763	5.2
271.24185	10.0
289.25278	94.4
307.26376	3.2
359.14795	1.5
363.28955	7.4
381.19434	1.4
381.30115	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	381.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.2
55.05317	1.3
55.05513	13.1
57.03430	4.0
57.07062	5.5
62.39243	1.6
65.03938	2.6
67.05512	85.6
69.07076	13.2
70.79620	4.2
71.04984	4.0
79.05499	38.2
81.07064	89.7
83.04988	2.0
83.08620	9.7
85.06501	2.4
91.05494	20.0
93.06487	2.8
93.07053	54.8
93.37199	1.5
94.06556	5.7
95.04983	2.8
95.08617	75.7
97.06548	3.2
97.10142	4.6
99.08075	3.0
105.07049	17.6
107.08602	33.7
109.10160	38.7
111.08047	1.7
117.07011	5.5
119.08595	11.8
121.10146	29.8
123.11729	20.5
131.08589	15.9
133.10138	8.8
135.11696	22.5
137.13231	6.3
145.10156	11.2
147.11697	7.4
149.13266	13.8
151.14827	2.2
159.11726	10.4
161.13316	5.8
163.14816	6.2
170.00845	1.6
173.13330	10.4
175.14833	4.7
177.16368	4.0
187.14790	6.4
189.16396	4.4
201.16435	4.0
205.19576	1.7
213.10381	3.1
233.18971	3.0
236.70018	1.7
247.20578	2.5
248.31288	1.7
255.14951	3.5
261.25882	4.8
271.24313	7.6
289.25281	100.0
307.26303	3.1
339.24402	3.8
363.28809	8.2
381.30103	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0795
Annotation	Unknow
Peak:m/z	Relative Intensity
67.13971	4.0
69.41534	13.9
69.41967	16.2
74.69511	4.0
81.50303	4.0
93.88834	3.9
97.90786	3.8
98.21523	7.1
118.26745	4.0
123.92177	4.1
134.09076	4.1
188.57980	4.7
205.16231	3.9
260.55881	4.2
272.52628	3.8
296.78586	4.0
381.07956	100.0
386.21960	4.5
400.78387	4.3
401.23627	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	381.0794
Annotation	Unknow
Peak:m/z	Relative Intensity
69.66869	12.8
69.67298	10.8
77.54804	3.5
162.71933	3.6
193.12556	3.9
243.80769	3.6
381.07962	100.0
382.08145	4.0
387.98792	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	379.158
Annotation	Abafungin
Peak:m/z	Relative Intensity
50.51904	0.4
55.93531	1.4
56.05037	0.5
56.96566	0.8
69.03404	0.4
69.51838	1.5
69.52260	1.8
70.06599	3.5
72.08153	1.4
72.93789	1.2
74.06075	2.0
81.03442	0.6
84.04508	0.8
84.08160	2.1
85.02914	1.2
86.09716	1.7
89.03915	1.8
90.94822	0.6
92.75047	0.4
97.02902	0.7
98.21485	0.9
98.97582	1.5
106.96632	0.4
111.65430	0.4
116.07088	0.6
117.03397	2.1
120.08122	1.0
129.10262	0.7
130.06567	0.8
131.04880	0.5
134.75481	0.5
135.04413	3.4
141.06989	0.8
145.02888	1.9
158.97470	1.0
162.98302	0.5
163.03912	12.9
178.97900	1.2
197.05989	0.6
203.01845	1.0
203.07098	0.6
205.96638	1.0
206.97369	1.4
216.95996	0.7
216.98047	0.8
217.10501	9.8
220.95563	0.6
221.02975	17.5
223.97614	0.8
229.03625	0.8
229.08691	1.0
233.14992	1.3
234.96902	12.5
234.99011	1.3
239.03931	2.6
247.04547	3.4
248.94839	3.7
252.97964	19.0
253.98335	1.1
266.95932	1.3
275.04105	1.4
281.04822	0.6
293.05063	0.5
299.06052	0.6
301.01862	1.0
318.99643	0.5
319.02792	2.3
350.99283	2.1
357.87137	0.5
378.99026	18.5
379.15787	100.0
379.99280	1.1
380.15927	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	380.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70367	1.4
55.01875	2.9
55.05504	1.8
61.02907	2.1
67.05508	21.5
69.03430	4.6
69.07051	4.7
70.06596	9.1
71.48571	1.6
71.48981	2.3
72.08159	2.0
79.05470	1.7
81.03432	2.8
81.07065	14.0
83.23164	1.6
85.02910	9.9
86.06089	8.5
86.09690	5.5
91.05486	3.0
93.07059	4.3
95.04976	7.0
95.08609	13.4
96.08152	11.2
97.02894	3.8
97.06566	1.9
99.04457	3.1
105.06975	1.8
109.02897	1.8
109.06480	1.7
109.10163	67.1
110.06071	2.0
119.08607	2.2
120.08126	12.2
121.10138	1.8
124.07597	4.2
125.06027	7.4
127.03909	2.3
131.04979	2.3
137.09627	100.0
140.92526	1.7
145.04974	2.0
146.33734	1.8
155.10678	37.0
164.07063	2.0
165.07799	3.3
165.09128	53.0
171.07646	4.2
176.10730	3.9
180.08641	2.0
183.07669	3.5
183.10184	36.3
201.11241	93.6
209.12846	23.3
219.12209	2.9
221.12688	4.3
237.12325	32.7
249.12224	1.8
265.11780	10.9
362.07272	1.7
380.08429	6.4
380.18063	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	379.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.0
58.98864	0.8
59.14088	0.7
67.05489	1.1
69.03442	1.2
69.53432	0.7
70.06592	4.7
70.40604	2.2
72.08150	2.9
74.06065	1.1
79.05484	1.2
81.07050	1.4
82.06591	0.8
83.04955	1.0
84.04501	1.4
84.08147	3.5
85.06514	0.9
86.09697	3.2
91.05490	11.3
93.07050	1.4
95.04970	0.7
95.08602	1.5
101.00881	1.0
107.08600	1.9
118.06470	0.8
119.08652	0.7
120.08075	1.6
121.13839	0.9
122.11920	0.8
129.10280	1.4
131.08603	0.8
133.10144	0.8
135.11688	1.1
136.07587	1.9
138.91762	0.8
146.06009	1.7
155.01817	1.1
162.05437	0.8
187.04117	0.8
187.11101	0.9
215.03520	0.9
217.04987	0.9
227.05208	1.5
271.04327	2.8
283.10822	0.9
293.10251	5.1
295.06104	1.1
311.09790	1.9
335.11023	34.7
336.11475	1.5
347.12549	0.8
351.08832	1.1
379.10031	100.0
380.10370	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	379.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.1
56.96559	3.7
57.03429	1.2
61.02925	1.8
66.01772	0.8
69.03424	5.1
69.19037	4.6
69.19466	4.1
70.06599	1.3
71.38615	0.8
73.02895	2.2
81.03430	1.1
84.68548	0.9
85.02917	6.5
87.04444	1.2
89.03928	7.4
97.02900	4.4
98.20729	2.0
98.97591	14.8
99.04470	1.0
101.00895	7.8
107.04949	2.0
110.97572	3.6
113.00903	1.6
115.02448	2.1
116.98637	3.5
117.03384	11.3
119.01926	5.2
126.33165	1.1
127.02421	1.0
127.03902	2.4
128.98599	2.6
131.01894	4.3
133.03477	3.9
135.04431	17.5
137.06010	4.7
143.00185	0.9
143.01901	8.1
145.02766	10.8
147.04416	6.1
155.01900	3.0
157.03423	1.7
158.99706	5.7
161.02931	6.3
163.03917	73.7
164.04285	1.6
170.99806	1.0
171.01315	4.5
173.02950	4.3
173.06807	1.0
177.00682	1.3
182.03311	1.3
182.59158	1.0
185.00900	1.7
187.08171	2.8
189.02507	5.1
191.03918	1.1
193.03465	1.8
199.00882	2.1
199.04430	1.6
199.08157	4.3
202.67206	0.9
203.01918	10.0
203.03999	2.8
207.76845	1.0
208.04999	4.9
209.02934	1.3
217.01874	2.7
217.05550	4.4
217.09320	1.6
219.01778	4.4
221.02977	100.0
221.04961	5.0
222.03198	2.8
223.02812	1.7
229.03619	1.3
231.03456	3.0
235.02805	2.6
237.02773	2.2
239.04025	9.8
239.06204	1.4
247.04558	23.6
249.04518	1.1
257.02969	2.6
259.03174	5.3
263.03983	4.7
265.05859	2.8
273.02374	1.2
274.07037	1.3
275.04025	11.9
277.04102	3.6
280.07062	12.0
280.57181	1.6
281.02182	1.0
281.04950	5.6
289.07538	8.4
289.10876	1.5
291.03314	1.0
293.05042	4.3
293.10745	2.1
298.08038	2.3
299.06009	3.3
301.01947	3.7
311.06116	1.3
319.02936	11.9
319.12430	10.6
369.12503	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
55.01878	0.9
55.05521	0.9
55.93524	0.6
60.04530	0.5
61.01159	0.5
65.03923	0.7
67.05508	2.6
68.99793	0.9
69.03431	1.1
69.76220	0.6
69.86750	2.2
69.87159	0.8
70.06599	7.9
70.13834	0.5
72.08160	1.4
72.58673	0.5
73.02921	0.7
79.05514	1.0
81.03426	1.5
82.06575	0.7
84.04494	0.6
84.08152	1.5
85.02905	1.8
86.09716	3.0
91.05489	1.7
93.05776	1.1
93.07046	1.3
94.06551	2.2
95.04951	1.1
96.08130	1.4
97.02922	0.8
98.21417	0.9
103.05495	0.6
104.44639	0.5
105.07058	0.6
106.06577	1.3
108.08124	20.3
108.34538	0.5
109.02894	0.9
110.06011	0.5
110.09684	1.6
111.08086	1.3
120.08108	5.3
121.05281	0.7
122.06055	1.5
123.06805	0.5
124.07604	0.8
127.03956	1.4
129.09143	0.9
129.10284	1.1
130.06551	1.7
131.67679	0.6
134.06032	3.7
135.04405	1.2
136.07587	100.0
137.06024	2.8
137.08238	0.9
138.09158	5.5
146.06026	1.1
148.07596	2.4
149.06010	1.2
152.07068	2.3
154.08641	2.7
155.03731	1.5
157.07664	1.5
157.08891	0.6
160.07578	0.6
162.05472	2.1
163.03941	1.8
164.07080	29.7
165.07722	0.7
166.08643	12.8
166.09953	0.9
167.07069	0.6
171.10521	0.9
172.11227	0.6
180.06575	11.6
181.06625	0.6
181.08661	0.6
184.11223	0.7
185.07230	0.9
186.12807	2.0
190.08673	0.7
194.08151	1.2
195.06537	2.5
200.10738	1.0
206.97337	1.0
212.09154	4.6
213.10081	1.6
214.10721	1.0
218.08128	2.3
227.06856	0.7
230.11505	1.6
232.97433	0.9
234.96848	1.1
239.11786	1.0
250.98505	1.3
252.97987	2.0
255.11237	1.0
257.12906	2.2
267.11328	0.9
285.12393	3.0
299.13913	2.5
301.15451	1.0
317.11703	0.7
317.14993	1.9
321.99188	0.7
327.13480	2.5
328.11758	3.9
331.09366	1.2
331.16544	4.0
341.07739	1.1
341.15048	3.5
345.14505	7.6
349.17566	1.9
349.98819	0.9
359.08914	1.0
359.16071	10.6
360.14398	1.2
376.99362	1.8
377.09369	1.2
377.17175	23.6
377.98254	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0846
Annotation	Unknow
Peak:m/z	Relative Intensity
59.66208	2.6
62.33928	2.3
71.32606	5.5
75.18555	2.5
84.08129	3.7
107.90722	2.3
127.09811	2.7
143.98492	2.3
163.03951	7.7
215.76608	2.6
219.01996	2.7
221.03020	8.6
275.02606	3.5
299.62665	2.8
328.12286	2.7
377.08450	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	377.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05482	3.1
69.07494	1.6
69.65179	12.5
70.23322	1.9
72.70422	1.7
81.07058	2.0
93.07015	2.5
95.05028	2.1
105.04345	1.7
105.07034	2.3
127.50628	2.0
164.67609	1.7
175.11000	3.0
176.11766	2.7
198.35846	2.1
224.00821	16.8
225.01613	20.4
232.40823	1.8
359.22272	1.9
377.13635	100.0
377.24454	5.9
378.13794	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	377.1458
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
53.03935	2.5
56.83038	0.8
57.03437	8.0
59.04982	0.8
61.02933	3.8
69.03099	0.9
69.03439	14.6
70.06586	4.6
70.62735	1.8
70.63075	1.2
71.01353	2.0
71.05003	4.8
72.08132	1.2
73.02911	2.8
74.06091	0.9
74.83110	0.8
75.04478	2.1
81.03419	4.9
82.72911	0.8
84.08144	2.3
85.02902	0.9
86.09711	3.1
95.90975	0.7
97.02920	0.8
99.04459	5.7
117.05491	1.8
117.24776	0.9
118.50876	0.9
120.08084	1.9
127.08680	0.9
143.16690	0.8
145.07660	2.6
154.10968	0.7
157.06433	1.1
170.07196	1.2
172.08704	31.1
177.93034	0.8
190.09789	1.3
198.06589	8.6
200.08203	4.2
216.07700	16.1
234.98993	0.8
243.08798	77.2
244.07062	1.0
244.09308	0.8
272.54715	0.7
304.16260	0.8
315.54523	0.7
316.45575	0.7
359.13580	4.1
377.14578	100.0
378.15167	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2122
Annotation	DHEA-7-CMO
Peak:m/z	Relative Intensity
53.03954	0.5
55.01863	0.7
55.05497	1.1
57.03436	0.6
58.02314	0.6
67.05493	2.2
69.07076	1.4
70.00929	1.9
70.06584	0.5
79.05489	1.9
81.07069	5.7
84.08146	0.8
91.05489	2.4
93.07057	2.5
95.08615	1.2
103.05465	5.4
105.07026	3.1
107.08594	0.8
119.08559	1.6
120.08112	100.0
121.08445	0.6
121.10121	1.6
123.11704	2.0
131.04910	0.8
137.88037	0.6
147.11726	4.4
165.12778	1.8
166.07245	0.9
166.08641	13.7
206.43875	0.6
284.20187	1.6
294.18536	0.7
295.16885	1.5
312.19553	14.4
330.20673	6.5
351.88672	0.6
358.20322	1.0
376.23392	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08928	0.3
53.03942	0.5
55.01872	5.0
55.05513	2.6
57.07056	0.4
58.06604	43.7
67.05505	1.0
67.73580	0.4
69.03439	0.7
69.07063	1.0
69.35454	1.3
69.35871	1.6
70.06594	3.5
72.04516	0.5
72.08161	13.1
72.21570	0.4
73.06548	0.5
73.08923	0.9
79.05473	1.0
81.07063	2.2
83.51563	0.4
84.04059	0.5
84.04511	6.3
84.08128	1.3
85.02904	0.8
85.06517	0.9
85.32465	0.4
86.09695	1.5
91.05467	0.8
93.07058	1.5
95.08611	2.2
97.20920	0.4
98.06062	2.8
98.09717	0.4
99.04456	0.4
100.11259	36.1
103.05481	1.0
105.07029	1.9
107.08593	1.0
109.06532	0.5
109.10181	1.0
111.08047	0.9
112.84842	0.4
115.12346	1.6
116.13110	1.8
116.83307	0.4
117.07006	0.7
117.13890	1.6
119.08598	1.7
121.10144	1.1
123.08040	0.6
123.11694	1.1
126.09161	16.8
127.03931	1.1
128.06236	0.7
129.07010	1.6
131.04990	0.6
131.08574	1.0
133.06496	7.3
133.10130	0.4
137.05991	2.4
141.06952	0.8
142.07784	0.7
143.08562	1.3
143.11838	3.0
144.05707	0.7
144.12558	2.1
145.10117	1.0
147.04399	0.6
147.08052	0.7
153.07048	0.4
157.06512	0.8
157.08633	0.5
157.10143	0.8
157.13429	0.6
159.04512	0.5
159.08061	5.4
161.06007	0.4
161.09666	1.4
163.03951	0.5
163.07545	0.8
167.07060	0.9
167.08513	0.8
167.10657	0.9
171.08076	1.2
171.14920	4.3
172.15686	1.6
173.05913	0.4
175.03908	0.5
175.07570	0.8
181.06488	0.9
185.05980	1.0
185.09554	2.1
187.07532	1.9
187.11369	0.4
189.05403	0.6
189.09193	0.9
195.08107	1.4
199.07542	3.3
204.07892	0.7
204.14763	1.1
213.05482	0.7
213.09076	2.8
217.08670	3.1
231.06607	1.9
231.10201	1.0
240.10226	0.6
241.08620	1.8
248.76634	0.4
257.55042	0.5
258.11243	0.5
259.09641	1.4
303.22891	0.4
312.16058	0.7
329.22217	0.9
330.16873	2.1
347.66666	0.4
357.21771	6.8
375.22797	100.0
376.23123	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
55.01882	5.2
55.05506	2.1
57.03452	0.7
58.06605	23.2
58.38446	0.5
59.75987	0.4
66.82940	0.5
69.03448	2.3
69.07066	1.5
69.46747	1.5
69.47155	2.1
70.06606	2.3
72.04532	0.7
72.08162	18.0
73.06571	1.1
79.05502	0.8
81.03410	2.1
81.07079	1.1
83.05003	1.0
84.04513	4.3
84.08143	1.6
85.02910	3.5
85.08936	0.6
86.03250	0.5
86.09737	3.0
87.00839	1.3
87.10042	1.2
91.05479	3.7
92.05819	1.5
93.07042	0.7
95.04972	1.2
97.02918	1.6
97.06542	0.6
98.06068	2.9
98.21490	1.1
99.04464	1.1
100.11265	40.0
105.01879	1.1
105.03393	0.6
105.07034	1.0
109.02879	1.9
109.06540	1.4
114.09171	1.4
115.05515	0.5
115.12335	0.8
116.13170	0.6
117.07099	0.5
117.13913	5.4
119.04993	0.5
125.09647	0.7
126.09164	13.4
127.03909	3.0
128.04271	0.6
128.06181	0.5
129.07022	1.2
133.06500	3.7
137.06026	0.7
139.03874	0.5
141.06955	0.7
143.11813	4.1
144.12544	1.5
147.08067	0.6
151.03864	1.4
151.11174	0.5
154.18773	0.5
157.06511	0.8
159.08083	2.0
161.05949	1.1
161.09682	0.9
163.03880	1.2
167.08575	0.7
171.04443	1.4
171.08083	2.2
171.14908	3.6
172.15742	0.7
175.03893	1.1
175.07561	0.5
177.09108	0.5
185.05968	1.0
185.09647	1.3
187.07521	0.7
189.05466	1.2
189.09138	1.8
191.28473	0.5
195.08022	0.5
197.12820	0.6
199.03961	0.7
199.07576	1.4
204.07895	1.1
205.08638	0.6
213.09109	3.7
217.08606	17.5
217.11922	0.7
230.46642	0.6
231.10175	1.4
241.08679	2.6
244.13716	0.8
258.11356	0.7
259.09644	5.6
308.95987	0.5
312.16028	1.5
330.16989	2.3
357.21820	1.6
375.22830	100.0
376.23114	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	375.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.0
55.01880	10.1
55.05519	14.8
56.05035	1.9
57.03431	5.7
61.02928	4.4
61.03234	1.8
65.03924	2.4
67.05507	20.9
68.99792	5.1
69.03432	64.5
69.07074	5.6
69.37511	2.0
70.03806	1.8
70.06608	8.9
71.01363	4.5
71.04992	4.7
71.48566	3.2
72.08162	16.4
73.02905	8.6
74.06075	2.6
74.57671	1.9
79.05479	8.6
81.03429	28.0
81.07071	16.1
83.04985	14.7
84.04521	2.5
84.08155	8.5
85.02894	14.5
85.06551	27.9
86.09702	11.1
87.00832	8.8
87.01632	2.0
91.05479	12.9
93.07047	20.3
95.04972	14.5
95.08606	16.3
97.02896	26.0
97.06529	4.7
99.04441	9.9
100.11302	2.3
105.07047	11.9
107.04976	5.8
107.08598	12.6
108.08132	2.4
109.02892	7.0
109.06521	12.5
109.10161	31.9
111.04446	4.5
111.08075	3.3
113.09644	4.3
117.07056	3.2
119.08572	6.5
120.08115	6.1
121.06511	7.0
121.10149	5.1
123.04430	36.9
123.08070	3.0
123.11716	7.1
125.06009	2.9
125.09639	100.0
127.03919	8.7
127.07571	3.6
129.01837	3.6
129.07050	3.8
129.10191	3.7
131.08594	2.4
133.06490	3.4
133.10141	5.8
134.50821	2.1
135.08090	9.5
135.11688	2.8
136.07626	3.1
137.05988	8.8
137.09639	5.1
139.11229	4.2
141.05508	4.8
143.08586	2.6
143.11780	4.2
145.04832	2.0
145.06450	2.5
145.10139	3.1
146.05995	4.9
147.08058	3.7
147.11681	5.2
149.06029	4.0
149.09586	5.7
151.03877	2.4
151.07544	8.0
151.11183	5.5
153.09143	2.6
154.01154	1.8
155.10547	2.7
157.10173	5.3
159.02933	2.5
159.08090	4.8
159.09232	4.1
160.87395	1.9
161.05995	6.0
161.09654	3.0
167.07066	1.8
167.10767	2.3
175.07587	2.6
175.11240	6.5
177.09079	4.1
179.06993	4.2
188.07095	12.4
189.12680	3.4
193.12276	16.1
197.08066	2.1
199.11157	2.3
205.09782	5.5
211.13321	31.6
217.12312	11.5
235.13281	10.4
253.08727	3.9
253.14337	3.5
255.07697	3.5
267.31516	1.7
285.11389	2.4
299.09375	2.1
315.09662	3.2
317.19125	3.2
339.14307	5.0
355.10034	1.8
357.15268	7.4
375.12039	3.5
375.16074	6.7
375.20090	22.4
376.71652	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.0
54.11013	1.5
55.01856	7.3
55.05518	13.9
57.03423	4.9
57.07060	2.1
61.02929	2.2
65.62782	1.6
67.05502	23.1
68.99775	5.3
69.03436	79.3
69.07061	5.7
70.06580	2.8
71.01342	5.5
71.04980	5.7
71.22137	3.7
79.05497	9.1
81.03426	24.6
81.07063	17.0
83.04979	18.4
84.08100	2.2
85.02911	11.1
85.06546	28.9
87.00829	10.4
91.05494	12.1
91.06355	1.6
92.05791	3.5
93.07065	14.7
95.04982	13.4
95.08612	18.5
97.02887	25.7
97.06523	3.3
99.04454	9.0
99.08061	3.2
101.06039	1.9
105.01892	1.6
105.07030	11.0
107.04960	3.8
107.08602	12.2
109.02898	3.8
109.06528	12.2
109.10163	32.2
111.08109	2.3
113.06118	2.0
113.09620	6.7
117.07019	2.8
119.03978	1.7
119.04848	1.6
119.08565	5.1
121.06474	5.3
121.10171	4.4
123.03609	1.8
123.04445	35.2
123.08060	4.1
123.11707	7.4
125.06045	3.3
125.09639	100.0
127.03917	4.8
129.01849	2.5
131.08551	5.2
133.06476	3.4
133.10104	6.2
135.08090	8.4
135.11661	2.1
137.05984	6.5
137.09598	6.4
139.03888	3.4
139.11160	2.2
141.05453	4.7
147.08051	3.3
147.11722	4.4
149.09604	7.4
151.07549	9.0
151.11153	4.4
153.09134	4.3
155.10585	2.6
159.08067	4.3
161.05991	3.3
161.09587	2.6
165.12817	1.9
167.10695	4.0
169.12242	1.8
175.11176	8.6
177.09120	3.3
179.07072	4.6
181.12209	2.1
189.12799	3.1
193.12244	16.6
197.07845	1.9
199.11046	1.9
205.49071	1.9
211.13306	27.7
217.12221	9.8
235.13284	10.6
321.13339	2.9
339.14355	4.2
357.15460	7.4
375.08246	3.2
375.16577	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	374.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75998	0.9
56.96572	2.3
57.03445	1.2
61.02933	1.9
69.03435	2.1
69.07034	1.3
69.47344	5.0
69.47752	1.7
70.06590	6.7
72.08144	4.3
81.03399	1.1
83.06097	1.9
84.04516	5.6
84.08139	7.2
85.02918	9.9
86.09711	12.6
87.05615	2.1
89.06038	55.9
96.04511	2.5
97.02894	2.8
98.97572	1.0
99.04482	1.3
101.07106	1.8
107.07048	3.2
110.07123	1.6
110.97582	1.1
120.08147	1.1
124.03973	6.8
127.03965	1.9
127.94787	1.0
128.98560	1.2
129.10234	3.7
130.05086	1.2
130.08626	1.0
132.07782	1.1
133.07661	1.7
133.08614	21.1
146.99716	1.2
147.04428	1.5
151.09694	3.7
163.03928	2.4
177.11232	4.0
177.59834	1.0
195.12296	100.0
196.12651	1.4
198.07619	3.3
209.01178	1.7
209.05678	1.1
234.99101	1.7
243.10893	1.4
253.00267	4.0
264.67838	0.9
271.01147	1.8
307.01105	1.7
361.68134	1.0
374.15475	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.0
55.01869	2.1
55.05494	1.7
57.03427	3.2
65.03938	3.2
67.05505	2.0
68.25905	1.5
69.03436	23.2
69.07067	2.4
70.06589	5.6
70.81059	2.8
70.81383	1.4
71.04990	3.8
72.08167	1.5
79.05519	2.6
81.03426	12.9
81.07075	2.3
83.01324	1.6
84.04498	3.9
84.08148	3.9
85.02911	25.8
86.09717	18.4
87.00844	13.2
87.04449	1.8
87.10020	1.7
87.75651	1.5
91.05488	100.0
93.07043	2.1
95.04964	1.6
97.02314	2.2
97.02905	35.5
99.04466	10.1
102.05531	2.8
105.01876	9.9
109.02872	3.7
120.08061	2.0
123.04469	1.6
125.09640	9.7
127.03926	39.1
129.10236	1.9
132.10165	2.8
144.30649	1.4
145.04965	27.1
165.62405	1.3
199.01764	1.9
215.13916	2.6
231.05042	18.7
249.06152	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	374.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.2
55.01871	3.2
57.03444	3.4
61.02922	2.3
65.03934	1.8
68.99789	1.4
69.03436	14.0
70.92118	1.5
71.04980	1.5
73.02921	3.0
77.90498	0.7
81.03424	11.3
83.05003	0.9
84.04515	0.9
85.02912	42.4
86.09717	2.0
87.00841	19.8
91.05486	100.0
92.05827	1.2
97.02895	13.9
99.04460	4.9
103.03949	1.4
105.01870	23.8
105.07048	2.0
108.04502	1.8
109.02884	12.0
109.28622	0.6
117.01876	1.1
126.05535	1.3
127.02983	1.5
127.03922	27.8
128.06236	0.6
129.01840	1.4
129.06981	1.6
133.06526	1.2
133.32397	0.6
143.08626	1.1
145.04964	13.7
145.06471	1.7
147.02937	0.8
159.02887	5.5
162.46407	0.7
169.30818	0.6
171.08083	0.7
175.07593	1.3
189.03976	2.0
199.07579	1.6
213.03949	1.2
216.12305	0.8
231.05019	6.2
237.98808	0.8
249.06204	1.4
321.09808	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.9
55.05513	19.2
57.07067	7.3
59.05013	3.7
62.88483	3.0
67.05193	3.6
67.05515	32.2
67.47182	2.7
69.03418	8.0
69.07076	54.0
70.06568	5.0
71.05001	3.9
71.48777	4.6
72.95139	2.9
79.05475	16.8
81.03413	4.3
81.06599	5.7
81.07063	100.0
83.04988	3.1
83.08611	8.4
84.08138	7.0
85.06532	12.9
86.09718	3.9
87.04473	9.4
87.34114	3.0
91.05472	13.0
93.07047	36.4
95.04958	4.9
95.08617	69.0
97.06530	16.5
97.10165	21.2
99.08083	4.8
105.07021	12.9
107.08606	38.6
109.06465	4.1
109.10167	28.8
111.08093	21.6
111.11707	10.4
111.69328	2.7
112.15022	3.5
119.08579	10.7
121.06582	3.6
121.10161	23.7
123.11716	58.6
125.09603	6.9
131.04922	7.4
133.10162	9.0
135.11682	14.2
137.13242	12.5
139.11198	15.4
141.12752	4.1
145.10144	6.6
147.11678	9.5
149.13271	39.4
153.12721	12.0
157.12303	4.8
159.11662	4.9
161.13205	6.0
163.14769	7.1
169.12233	4.8
171.13788	13.4
187.03926	26.1
187.13293	12.2
201.14874	8.4
217.14330	5.5
217.19386	3.5
277.25235	3.8
287.23691	4.9
293.24814	5.0
305.24808	18.0
305.33081	3.7
319.26306	4.4
323.25732	3.3
337.27328	5.6
373.06976	3.9
373.12790	6.0
373.17380	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	373.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	7.1
54.86110	4.3
55.01869	6.5
55.05501	15.8
56.17021	3.5
57.07077	8.7
58.91294	4.5
65.03936	4.9
67.05503	19.6
69.07077	12.5
70.06595	6.0
71.23576	9.0
79.05506	25.7
81.07066	49.5
83.05008	5.4
83.08597	5.2
85.06518	4.0
91.05476	40.2
93.07053	37.9
95.04976	31.8
95.08624	24.4
97.06528	12.6
103.05488	4.6
105.07028	60.6
107.08576	20.3
109.06513	21.9
109.10168	14.1
111.08096	4.8
115.05416	9.7
117.07021	13.8
119.08583	62.3
121.06499	13.1
121.10150	15.7
123.11700	6.3
128.06224	11.5
129.06987	20.1
130.07802	12.4
131.08577	26.7
133.10133	38.3
141.06963	8.6
142.07765	19.1
143.08582	28.9
145.10143	34.9
147.11670	8.0
148.19591	3.9
149.09650	6.3
154.07813	6.2
155.08568	14.0
156.09377	13.0
157.10149	38.6
158.10796	3.7
159.11726	11.5
161.09790	4.2
165.07014	7.6
166.07709	5.2
167.08543	13.8
169.10167	24.3
170.10896	4.6
171.11687	17.9
171.13841	4.5
173.13281	15.5
175.11319	4.1
179.08580	18.8
180.09303	8.9
181.10170	18.6
182.10905	8.8
183.11694	18.2
184.12555	5.6
185.13290	8.4
192.09354	10.6
193.10107	27.3
194.10985	5.7
195.11685	20.7
197.13292	11.7
199.11102	4.3
199.14792	7.0
203.03581	8.8
205.10181	7.5
206.10876	12.7
207.11707	24.7
208.12502	11.1
209.13219	21.8
211.14848	16.8
217.10184	4.2
218.10970	4.0
219.11636	15.2
220.12492	11.8
221.13310	17.4
223.14877	16.9
231.11714	11.1
232.12460	9.5
233.13295	18.3
234.14201	5.0
235.14893	20.2
237.16286	7.9
243.11646	8.2
244.12468	4.7
245.13264	11.7
246.14078	4.7
247.14891	13.2
248.15576	4.7
249.16371	24.1
251.17975	6.0
255.06650	5.2
257.13193	6.5
261.16418	11.4
262.17200	4.5
263.17963	12.3
265.19595	9.6
272.15643	6.5
273.16336	6.4
275.18094	7.9
277.19543	11.1
282.14886	4.4
289.19540	9.4
299.18045	5.5
313.19363	4.8
329.22693	5.7
345.25940	5.1
355.24197	10.9
373.12564	7.2
373.25232	100.0
388.70596	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	373.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.3
55.01872	7.6
55.05512	13.8
57.03436	4.9
65.03938	2.8
67.05511	32.9
69.03426	21.3
69.07079	15.6
70.06588	7.3
71.01374	2.2
71.04987	5.6
71.09265	4.3
72.08173	3.2
79.05498	22.1
81.03416	11.9
81.07060	75.2
83.04976	4.4
83.08635	9.3
84.08170	9.5
85.02906	9.7
85.06547	7.2
86.09700	8.2
91.05480	29.2
93.07056	20.8
95.04978	8.5
95.08606	24.5
97.02903	27.6
97.06528	13.6
97.10107	2.4
99.04449	7.6
99.08092	5.8
103.05473	3.1
105.03406	2.4
105.07033	47.4
107.04951	3.3
107.08596	16.9
109.02882	6.8
109.06530	12.2
109.10174	6.8
111.04483	1.9
111.08076	2.9
115.05447	3.6
119.04974	2.7
119.08587	38.4
120.08061	2.2
121.02869	3.8
121.06552	2.8
121.10158	34.0
123.04444	3.2
123.08056	6.1
123.11710	39.0
125.09635	5.0
127.03926	25.6
127.07567	6.5
129.07047	3.3
129.10228	4.8
131.04950	5.0
131.08554	3.5
133.10126	6.4
134.46634	2.1
135.08064	3.1
135.11691	4.0
137.06006	12.8
137.09573	4.0
137.13283	3.4
141.07062	2.4
141.09096	4.1
145.06462	2.5
145.10118	3.0
147.04411	6.4
147.11696	100.0
149.05956	3.0
149.09641	3.5
151.03976	4.2
151.07597	2.9
153.81775	2.0
155.08487	2.9
157.10109	4.2
159.04445	2.4
161.02365	4.8
161.13257	2.4
163.03925	3.3
163.07489	1.9
165.05486	2.1
165.12770	67.6
167.07068	7.5
167.08475	2.5
171.04333	4.6
171.11658	2.9
175.11194	4.6
179.07069	2.1
183.13828	14.2
187.03915	7.4
193.08549	2.2
193.12239	8.4
197.06035	2.6
201.05473	8.5
202.07779	3.3
205.06319	2.2
206.04510	7.1
211.03864	3.7
215.08670	4.9
225.05441	2.1
229.14342	24.8
239.62708	2.2
245.09531	2.6
247.07549	3.4
251.07095	3.7
253.08553	3.6
255.08054	3.6
258.06726	4.9
259.11255	2.0
261.09210	4.1
269.08051	4.4
271.07590	9.2
273.09177	3.5
281.08328	1.9
289.08572	4.3
293.08063	3.4
299.06940	5.3
300.07639	2.1
301.05060	3.7
307.09644	2.8
313.03397	2.6
313.11395	3.5
317.08209	9.8
325.10812	3.3
327.06491	11.2
327.12384	2.5
331.04456	3.1
341.11078	5.1
343.11639	2.5
345.07584	56.0
355.11777	4.1
355.17487	2.2
373.06958	8.1
373.13083	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	373.1649
Annotation	Dihydroxybergamottin
Peak:m/z	Relative Intensity
53.03939	1.1
54.94437	0.6
55.01873	0.9
55.05273	0.9
55.05517	14.4
56.22728	0.6
57.03428	2.2
57.07077	1.2
65.03934	0.8
67.05510	6.1
69.03419	0.7
69.07073	36.7
70.08018	2.7
71.04997	2.6
71.08631	3.7
73.06561	8.0
79.05505	5.1
81.07062	24.6
83.04984	2.5
83.08620	5.0
85.06553	4.8
87.04473	0.9
90.42937	0.7
91.05470	4.7
93.07049	14.8
93.07636	0.8
95.04966	1.7
95.08600	4.9
97.05921	1.4
97.06534	20.9
97.10136	1.0
99.08099	100.0
103.05497	1.3
105.07028	3.1
107.08598	14.7
109.09467	1.1
109.10165	11.6
111.08078	3.5
115.07578	6.3
117.07041	0.7
119.04967	1.4
119.08602	2.3
121.10183	1.2
123.11749	0.7
125.13317	0.9
127.11214	1.9
129.07094	0.6
131.04945	4.8
131.08563	1.5
133.10147	1.5
135.11685	7.0
142.07799	1.2
143.08568	1.7
145.10165	1.2
147.04422	12.5
153.12750	25.2
155.08571	1.2
157.10161	1.8
159.04434	6.0
162.92455	0.6
171.13814	39.5
173.13184	0.7
175.03961	0.9
179.08571	0.8
181.10138	1.0
183.11761	0.8
185.13255	0.7
195.11832	0.7
197.13248	1.0
203.03406	75.8
204.03748	1.3
207.11778	1.8
209.13315	0.8
211.14867	0.7
221.13329	0.8
225.16316	0.6
225.29428	0.6
246.14177	0.7
247.14873	0.8
255.06584	0.8
259.14880	0.8
373.16953	1.3
373.25082	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	373.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	4.4
57.07084	66.2
57.83701	3.4
63.36929	2.9
67.05493	6.7
69.07064	6.1
69.12997	18.4
69.13414	10.0
71.95280	4.5
72.82072	2.9
79.05499	6.0
81.07047	11.2
84.08126	3.4
85.06551	52.1
89.10973	2.9
91.05479	14.5
93.07040	8.9
93.82211	2.9
95.04984	3.3
95.08631	5.2
101.95047	53.8
105.07031	13.1
107.08600	6.1
117.07047	7.4
119.08582	6.9
119.96115	15.5
121.06511	3.4
121.10134	3.8
129.07010	4.2
131.04930	12.7
131.08546	8.1
133.10110	7.1
137.97099	7.3
142.97705	3.5
143.08577	5.6
145.10126	7.2
147.04416	29.4
147.11575	3.5
157.10135	4.3
159.04427	28.1
169.10167	4.5
171.11641	4.0
174.90572	3.2
175.03920	9.7
179.03302	3.4
182.77861	3.0
183.00932	4.1
187.03900	22.2
189.05470	9.6
203.03418	85.2
215.03407	100.0
216.04135	13.5
220.00816	5.6
221.04556	3.4
229.08647	12.7
231.10175	4.8
233.04463	11.9
247.07826	2.8
255.06628	21.8
261.18433	3.7
265.00299	3.6
271.09668	49.0
273.07623	14.6
293.99063	5.4
312.00458	4.6
337.25256	5.3
350.05548	17.2
355.26202	15.8
368.06552	17.8
369.15985	3.6
373.27594	22.9
386.67468	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	373.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07080	68.7
70.12193	4.4
70.12596	5.3
81.07063	5.7
82.53478	1.9
85.06550	54.5
91.05473	6.2
93.07069	4.1
95.08594	2.7
97.06579	3.5
103.05465	2.9
105.07015	2.4
119.04990	4.2
128.06252	2.8
129.05617	2.1
131.04915	15.6
143.08582	2.3
147.04434	33.0
159.04422	29.6
161.02338	4.2
163.03860	3.0
171.04454	5.2
175.03958	7.1
179.03384	2.5
187.03920	21.3
189.05469	10.6
191.03455	4.1
202.07761	4.4
203.03418	79.0
211.03809	4.7
215.03400	100.0
216.04234	14.5
221.04486	3.2
227.06967	3.9
229.08582	14.1
233.04462	14.1
233.09605	3.6
243.08090	2.8
244.08897	2.2
255.06227	15.5
258.06876	3.9
259.07556	2.5
271.07385	5.2
271.09750	45.4
273.07346	11.1
274.06247	2.9
289.08383	3.1
299.07016	5.1
301.05228	4.5
302.05856	2.9
317.08087	6.4
327.06372	13.5
343.06100	3.3
345.07626	54.0
373.06900	6.0
373.17896	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.9
55.94261	0.5
67.05492	0.9
68.99760	0.6
69.07082	0.7
70.06590	1.3
70.61156	1.2
70.61493	0.9
72.08166	0.6
72.39700	0.5
79.05482	1.0
81.03457	0.8
81.07049	1.3
84.08150	1.5
86.09698	1.4
87.24655	0.5
91.05495	1.1
93.07073	1.1
95.08605	0.6
103.05468	0.5
104.62010	0.5
105.03442	0.5
105.07010	1.0
107.08584	1.5
115.05454	1.5
119.08569	0.6
123.04436	0.6
131.04933	4.2
133.02873	1.0
134.03618	1.3
143.04927	1.4
145.02811	0.7
147.04434	2.8
151.03928	0.8
155.04909	3.0
159.04436	2.0
161.02353	8.8
171.04424	5.2
172.05186	0.8
173.02367	2.2
183.04428	2.8
184.05209	1.8
185.06065	0.6
187.03928	6.8
189.07080	0.7
190.07782	1.1
191.08510	0.7
195.04485	1.7
199.03928	1.6
202.07788	7.4
203.08508	1.7
211.03909	6.6
215.08554	8.8
216.09337	1.2
217.10201	2.3
218.07292	2.4
219.08174	0.8
223.03810	0.6
226.07823	3.4
227.08575	1.7
229.06519	1.1
230.07300	1.5
231.08038	3.3
233.09608	2.9
239.03383	3.3
242.07245	1.1
243.08049	4.4
244.08850	1.7
245.05969	1.5
245.09625	7.4
246.06819	1.7
247.07640	1.6
255.08061	8.8
258.06796	7.8
259.07584	2.1
260.08447	0.7
261.09137	6.3
271.07584	18.8
271.10510	0.9
272.08124	2.1
273.05768	1.2
273.09128	8.2
274.06259	3.7
274.08820	0.5
275.07025	1.2
283.07602	1.9
286.06250	0.8
287.07089	2.8
288.07739	1.3
289.08536	7.5
290.05600	0.6
298.06241	1.6
299.07010	11.4
300.07733	2.2
301.04980	7.4
301.08591	2.4
302.05676	3.6
303.06473	1.7
307.18860	0.5
311.07047	2.0
314.05707	2.4
315.06522	6.5
316.07440	1.2
317.08148	13.8
327.06512	23.8
328.07166	1.6
329.04520	1.3
329.08112	1.2
330.05167	1.0
331.06256	0.8
343.06015	4.4
345.07599	100.0
346.08060	2.7
355.06030	2.9
373.07098	17.4
373.13577	1.4
373.17844	1.2
374.07742	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	2.0
70.06596	0.6
70.93994	1.3
75.77686	0.4
79.05498	0.6
81.03452	1.1
81.07074	0.8
84.08157	0.8
86.09712	0.9
91.05522	0.9
93.07061	1.2
95.05008	0.8
95.08636	0.7
97.06570	0.9
105.07051	0.6
113.26691	0.4
115.05451	1.3
120.02142	0.5
121.10168	0.6
129.10255	0.6
131.04939	3.9
133.02893	1.1
134.03659	1.8
143.04922	1.1
145.02950	0.7
147.04419	3.0
151.03961	0.8
155.04932	4.0
157.06555	0.6
159.04460	1.5
161.02364	8.7
171.04408	4.2
172.05193	0.9
173.02333	2.4
183.04384	2.4
184.05293	1.3
187.03938	6.3
189.07039	1.0
190.07822	1.4
191.08588	0.7
195.04518	1.2
199.04005	1.8
202.07770	7.9
202.09517	0.6
203.08524	1.3
205.06572	0.9
205.10172	0.6
211.03915	6.9
214.07675	0.6
215.03377	1.0
215.08591	8.2
216.09325	1.3
217.10104	2.7
218.07323	1.9
219.08154	1.5
226.07790	3.4
227.08607	1.6
228.09370	0.6
229.06476	1.2
230.07315	1.3
231.08067	4.0
232.08745	0.6
233.09677	2.4
236.04854	0.5
239.03412	3.2
242.07326	1.7
243.08043	4.4
244.08900	1.9
245.06058	1.8
245.09653	7.6
246.06732	0.8
247.07466	1.6
255.08057	10.5
258.06769	8.2
259.07532	2.3
260.08386	1.0
261.05475	1.0
261.09174	5.8
263.07059	0.6
271.07553	17.7
272.08194	2.2
273.09155	7.2
274.06192	3.0
275.07111	1.7
282.06851	0.7
283.07605	1.5
285.05478	0.6
285.31366	0.5
286.06277	1.1
287.04355	0.5
287.06976	2.8
288.07727	1.4
289.08597	8.1
290.05768	1.3
298.06384	1.1
299.07022	10.3
300.07745	2.5
301.05005	8.7
301.08612	2.6
302.05634	3.4
303.06464	2.2
311.07117	1.6
314.05789	1.8
315.06558	5.6
316.07117	1.1
317.04459	1.1
317.08099	14.3
327.06516	24.9
328.07086	1.7
329.04468	0.6
329.08011	1.5
330.05185	0.9
343.06110	3.9
345.07599	100.0
346.07889	3.5
355.06033	3.2
371.83572	0.5
373.07074	17.0
373.17825	1.8
374.07443	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
58.43032	0.2
67.05512	0.3
69.07067	0.3
69.24773	0.2
69.84852	0.2
70.06576	0.5
70.78388	0.6
71.40863	0.2
81.07054	0.5
84.08118	0.4
87.04482	0.3
91.05444	0.3
93.07065	0.3
95.08585	0.4
97.06564	0.3
101.92244	0.2
103.05490	0.4
103.36916	0.2
105.07043	0.4
107.08582	0.4
110.29071	0.2
115.05464	16.3
116.05850	0.3
119.08588	0.4
121.10162	0.3
131.04938	19.7
131.08682	0.3
133.10118	0.3
135.11743	0.3
136.45430	0.2
143.04935	11.8
144.05269	0.3
159.04427	2.1
167.07092	0.3
171.11737	0.2
173.02382	0.6
187.03915	100.0
188.04308	2.3
201.01955	0.3
203.03439	0.3
216.04198	0.5
221.76942	0.2
297.12103	0.2
352.03043	0.5
373.07098	14.5
374.07458	0.7
396.21643	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36586	0.6
55.01862	2.3
66.52796	0.6
68.99796	0.8
69.60776	4.1
97.58800	0.7
115.05472	1.4
119.04912	0.9
131.04924	4.3
133.02884	0.8
134.03682	0.9
143.04935	0.8
145.02838	0.9
145.03908	0.7
147.04436	5.1
155.04918	5.1
159.04408	1.8
161.02356	7.9
164.13745	0.9
171.04404	4.6
172.05176	0.9
173.02380	2.1
183.04453	3.3
184.05194	1.8
187.03966	6.8
190.07808	1.1
195.04474	1.4
199.03841	1.3
202.07755	6.0
203.08597	1.4
205.06490	0.9
205.10162	0.8
211.03944	11.1
215.03391	1.5
215.08571	9.4
216.09317	1.7
217.10184	2.7
218.07312	3.1
219.08040	1.5
226.07861	3.4
227.08487	1.0
228.09291	0.9
229.06450	1.8
230.07262	0.8
231.08131	2.9
233.09636	2.6
239.03407	4.9
242.07335	1.5
243.08060	5.2
244.08842	2.3
245.06058	1.3
245.09680	6.5
246.06754	1.4
247.07570	1.2
247.89836	0.7
255.08064	10.1
258.06815	8.7
259.07559	1.9
260.08371	0.7
261.05603	0.7
261.09131	5.0
271.07565	18.2
272.08240	1.8
273.05777	1.5
273.09158	6.9
274.06259	2.4
275.07111	2.1
282.06696	0.9
283.07596	1.9
284.08511	0.8
286.06223	1.6
287.07156	3.4
288.07813	1.3
289.08569	7.8
290.05984	0.9
294.69205	0.7
298.06345	1.3
299.07111	11.4
300.07721	1.9
301.04984	9.3
301.08578	2.1
302.05585	3.2
303.06543	1.4
311.07101	2.4
314.05756	2.8
315.06598	5.7
316.07315	1.0
317.08118	13.2
327.06552	29.4
328.07111	1.3
329.04550	1.3
329.08252	1.8
343.05978	4.3
344.06961	0.7
345.07605	100.0
346.07742	4.0
355.05975	3.1
373.07108	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	371.2068
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
55.05517	41.7
57.03427	8.4
57.07066	17.3
60.16907	4.5
67.05496	19.6
69.03436	22.2
69.07074	26.0
70.06599	23.0
71.37154	9.7
72.08150	13.4
79.05501	27.4
81.03422	16.4
81.07060	100.0
83.04981	27.3
83.08627	55.0
84.08147	18.7
85.02911	23.9
85.06552	6.9
86.09702	24.3
91.05497	13.7
93.07046	30.9
95.04989	12.3
95.08621	16.1
97.02917	15.1
97.06527	9.2
99.04473	6.4
99.08139	4.7
100.11285	8.6
103.05487	4.9
105.07018	13.5
107.05029	4.4
107.08594	39.1
109.02873	13.8
109.06540	57.4
109.10155	31.8
111.04433	5.5
111.08094	16.6
119.04927	5.8
119.08602	8.7
120.08129	5.4
121.06489	6.2
121.10152	30.9
123.04451	5.1
123.08068	7.5
123.11695	27.9
125.13265	11.7
127.03913	18.8
127.07530	6.1
129.05458	5.5
129.10278	6.9
131.01974	6.1
133.06474	5.6
133.10138	10.3
135.08098	7.1
136.07574	7.0
137.09657	7.9
139.07541	7.6
139.11224	6.5
145.10153	6.7
149.09636	8.3
149.13274	45.5
151.11179	14.1
153.07431	5.8
153.09137	10.5
154.19655	5.0
163.14815	5.4
167.07127	8.7
167.14320	58.0
171.10245	7.2
173.13283	7.7
181.12135	6.3
182.15401	6.3
187.07509	5.4
191.14337	30.1
209.15462	26.2
210.14958	14.4
228.15979	5.3
249.09633	6.7
273.09567	14.2
343.01752	4.9
371.16702	27.7
371.21231	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	371.1491
Annotation	Arizonicanol D
Peak:m/z	Relative Intensity
55.05507	3.0
57.07068	2.8
59.04989	3.2
65.89024	1.5
67.05506	11.9
69.07072	18.4
69.82668	6.8
71.04995	26.8
72.81020	1.8
73.06566	3.6
79.05502	6.5
81.03457	1.7
81.07063	27.9
85.06550	2.2
91.05476	4.9
93.07040	6.8
95.04969	7.9
95.08617	6.3
97.06542	32.1
101.06026	2.2
105.07025	7.1
107.08573	8.0
109.06519	10.2
109.10170	14.5
110.61991	1.5
115.79414	1.6
121.10147	11.7
123.08072	3.7
123.11698	10.0
131.04907	2.6
133.10141	5.4
136.08850	4.1
139.11214	6.9
147.04439	9.4
151.11188	80.2
159.04367	1.7
169.12247	100.0
187.71039	1.4
203.03426	47.2
204.03824	1.6
269.24170	1.5
283.09616	3.9
311.49353	2.1
355.88962	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1492
Annotation	CHEBI:70603
Peak:m/z	Relative Intensity
55.05510	14.3
69.07098	2.1
71.16836	3.8
71.17173	3.0
79.65994	2.0
81.07053	4.2
83.04987	100.0
95.04968	2.6
101.06026	2.5
105.07056	3.0
111.04412	3.8
119.04922	2.6
129.05493	2.8
131.04924	3.5
147.04401	7.7
153.07031	2.5
159.04440	4.7
187.03865	2.6
189.05376	2.3
199.07549	3.0
203.03377	29.4
215.03426	13.6
216.04057	4.6
229.08627	5.5
254.22777	2.4
255.06607	11.2
271.09680	18.2
273.07602	6.7
392.89130	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	371.1492
Annotation	(E)-8-(6-Hydroperoxy-3,7-dimethylocta-2,7-dienyloxy)psoralen
Peak:m/z	Relative Intensity
53.91704	0.9
55.05504	3.7
57.07068	2.5
65.03934	1.3
67.05519	9.1
69.07072	12.8
69.16055	10.5
70.29039	1.0
71.05013	5.4
73.04701	0.9
73.06535	3.7
79.05480	3.7
81.07054	9.6
83.04967	2.4
86.09686	1.2
91.05455	4.7
93.03404	0.9
93.07040	1.9
95.04979	53.7
95.08604	3.1
97.06538	8.7
99.54138	1.0
103.05486	1.0
105.07026	2.6
107.08564	2.1
109.06509	3.6
109.10156	3.8
119.04953	2.1
121.10159	2.9
123.11700	3.9
128.06224	2.0
129.05472	1.1
131.04933	11.0
133.10155	2.2
137.05965	1.1
143.08549	2.7
147.04424	16.7
149.17366	0.9
151.11205	13.2
157.02895	2.3
159.04431	9.1
167.03381	1.5
169.12282	7.7
171.08073	6.5
175.03862	6.4
187.03909	6.7
203.03415	100.0
203.10704	8.7
204.03752	2.5
215.03372	4.2
227.10645	1.3
229.08434	1.0
241.08585	1.1
255.06534	1.7
267.06345	2.4
269.08118	3.2
283.09698	18.0
297.07574	3.1
303.08344	1.5
315.08557	2.1
325.14429	1.8
353.13687	3.0
371.15033	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	371.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.7
55.05521	13.7
59.05000	1.5
60.48611	1.2
69.88604	4.8
70.06595	1.3
73.04741	1.1
79.05492	2.4
81.03409	1.6
81.07039	2.7
81.38088	1.2
83.04989	100.0
84.08197	1.4
91.05475	3.3
93.07071	1.5
95.04969	1.8
95.08611	3.0
101.06008	1.8
104.16177	1.1
105.07029	1.7
105.43656	1.1
106.64643	1.2
107.04969	2.4
107.08605	3.3
109.06524	2.2
109.10174	1.4
115.05488	1.1
119.08587	1.2
121.06519	4.2
123.04441	1.7
125.09601	1.6
128.06258	1.4
129.07027	1.1
131.04933	2.2
131.08604	2.1
137.02388	1.1
137.05989	8.1
143.08636	1.2
147.04405	2.7
151.03896	1.5
151.11179	1.7
153.01869	3.5
156.05714	2.1
157.10107	1.4
159.04416	1.7
159.08066	2.0
163.03888	2.4
167.07060	5.2
171.08044	1.4
175.03841	2.8
175.07544	2.0
179.03499	1.4
185.05963	1.9
187.03911	3.5
187.07379	1.2
194.04640	1.2
203.03424	8.2
213.05467	7.0
215.03455	2.0
217.08592	4.2
227.07042	3.3
229.08568	4.5
231.06552	4.4
233.09676	1.8
234.06636	1.2
239.07001	1.8
241.08629	1.3
249.09242	2.4
255.06477	4.5
269.08160	1.6
269.11758	3.3
271.09708	4.4
273.07520	3.1
278.09467	2.0
283.09235	1.2
285.07648	2.7
293.11880	1.7
299.05505	7.4
300.09955	3.4
309.11288	2.8
311.09183	6.6
311.12784	20.5
321.11124	3.1
323.05411	1.4
335.09192	2.1
337.07147	2.1
341.14053	1.1
353.10159	13.5
353.14005	4.5
371.11105	16.3
371.15063	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	371.1489
Annotation	CHEBI:70603
Peak:m/z	Relative Intensity
50.05738	1.1
52.23932	1.3
55.05518	14.1
65.01205	1.1
69.03438	1.6
69.68651	5.7
81.07088	1.6
83.04987	100.0
91.05493	2.3
93.07045	1.5
103.05415	1.3
109.10180	2.0
115.60535	1.3
119.04961	1.8
128.06201	1.6
131.04915	3.1
147.04454	7.6
159.04477	2.7
171.07994	1.5
175.04050	1.2
187.03955	6.2
188.04306	2.5
203.03410	26.7
215.03421	16.6
216.04161	7.6
227.10590	1.4
229.08623	5.0
233.04477	2.2
255.06516	8.9
271.09622	23.7
273.07639	6.8
371.15015	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	371.1127
Annotation	2,3-Dehydrokievitol
Peak:m/z	Relative Intensity
53.03943	1.9
55.01872	2.5
55.05505	2.7
59.04993	1.1
65.03953	1.4
67.05502	2.3
68.99805	2.6
69.03440	3.4
69.07074	1.7
69.59395	2.3
69.59816	3.8
70.06596	2.3
71.04995	1.0
73.04753	1.0
79.05499	5.0
81.03408	4.2
81.07062	7.6
83.04987	1.4
84.08165	1.9
85.02878	0.9
85.06561	1.1
86.09678	1.0
90.39156	0.9
91.05457	7.1
93.07048	4.5
95.04981	4.4
95.08605	3.0
97.02892	2.3
97.06544	1.1
97.22303	0.9
98.20791	1.1
103.05464	2.5
105.07038	5.3
107.04971	5.7
107.08611	3.5
109.02901	1.8
109.06530	3.7
109.10170	1.9
111.04409	1.7
115.05480	2.0
117.07046	2.0
119.04939	2.8
119.08600	2.5
121.02848	1.2
121.06496	2.5
121.10155	1.8
122.03666	1.6
123.00805	1.4
123.04443	9.4
123.08108	1.9
125.09622	2.5
128.06198	1.4
129.06981	2.0
131.04948	2.7
131.08566	2.9
132.55902	1.2
133.10141	1.6
135.04454	2.7
137.02361	2.5
137.05986	19.0
137.09641	1.2
141.01833	1.9
141.06967	1.4
143.08571	1.3
144.05693	1.8
145.06544	2.3
145.10164	1.2
147.04453	6.7
147.11673	0.9
148.05173	1.2
149.02371	1.8
149.06004	2.4
149.09685	1.4
151.03922	3.9
151.07584	2.1
153.05492	3.6
153.06932	1.2
155.08614	1.1
156.05698	5.5
157.06496	3.2
158.07184	1.0
159.04425	1.2
159.08072	3.5
160.05190	1.1
161.02396	2.6
161.06001	2.3
162.03098	1.0
163.03978	4.5
163.07581	1.6
163.11215	2.9
165.01857	21.3
165.05518	3.8
165.09102	1.4
167.07069	12.3
169.06427	1.4
169.10159	1.1
173.05975	2.3
174.06775	1.9
175.03912	1.1
175.07588	3.3
176.04729	3.8
177.01868	4.7
177.05489	7.2
180.08290	4.9
181.06483	1.6
183.02972	5.4
187.07550	6.2
189.01961	1.1
189.06978	1.2
189.09126	1.7
190.02565	2.9
191.03461	2.0
191.07068	4.1
193.08551	2.1
195.06461	1.3
198.09547	1.3
199.07626	1.2
200.04585	1.2
201.05479	3.4
202.07826	1.3
203.03470	2.6
203.08614	1.6
204.04214	2.1
206.07199	1.3
207.06410	1.9
207.08165	1.7
207.10059	1.2
209.06093	2.0
211.07532	1.3
213.05482	1.4
217.08612	11.2
218.07239	1.7
219.06465	11.0
219.10013	6.9
221.09682	2.3
229.04913	2.0
231.08006	1.7
232.08728	1.7
233.09596	3.6
234.06747	2.2
235.07684	1.8
237.05453	1.6
237.09399	1.5
238.09856	1.3
239.06970	3.5
241.05011	2.3
241.08618	3.0
241.11145	1.0
242.60982	1.0
247.07460	1.8
247.09714	4.9
248.08206	1.1
249.05328	1.0
249.09157	4.4
250.06326	1.5
250.10017	1.0
251.07103	2.3
251.10861	1.3
252.07852	2.0
253.05080	1.5
255.06575	3.4
255.10245	2.0
257.08197	1.8
260.08389	1.4
261.09143	6.2
263.07010	2.1
264.07886	1.9
265.04901	1.2
265.08600	3.0
266.09268	2.1
267.06604	1.5
267.09988	1.2
268.07431	1.3
269.08072	1.9
277.05594	1.0
277.08511	5.1
278.09451	3.2
279.06714	1.8
279.10004	1.6
280.04001	0.9
280.07327	1.9
281.04471	7.1
281.11624	2.8
283.06152	3.2
283.09683	5.2
285.07666	8.0
289.08508	2.2
291.10162	1.5
292.07291	1.2
293.08105	2.5
293.11838	4.3
294.08698	1.2
295.06024	3.0
297.07751	1.4
297.11050	2.4
299.05539	16.5
300.09851	9.7
301.10706	3.2
306.08929	2.5
307.09622	2.9
309.11209	4.7
311.05579	2.9
311.09164	2.6
311.12784	1.8
313.10760	2.6
320.06732	1.6
321.07980	1.4
321.11282	7.5
323.08990	2.7
325.07193	1.5
325.10721	1.5
326.11450	3.7
327.12372	1.4
335.09146	5.0
335.22028	1.1
338.07874	1.3
339.12396	4.7
341.13785	3.6
353.10190	100.0
353.13895	8.7
354.10419	2.0
355.07062	1.2
371.10660	7.9
371.15460	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	371.1127
Annotation	2,3-Dehydrokievitol
Peak:m/z	Relative Intensity
55.01860	3.7
55.05500	1.9
58.20344	0.9
63.24810	0.9
67.05512	5.4
68.99770	2.3
69.03429	1.7
69.07073	1.8
69.25934	0.9
70.06569	1.3
71.04987	1.3
71.08636	1.2
71.48845	1.2
73.04752	1.1
73.12682	0.9
76.78648	1.0
79.05482	2.9
81.07057	5.0
83.04955	1.8
84.08134	1.1
85.06506	1.2
86.00654	2.5
91.05474	2.1
93.07066	2.7
95.04978	2.2
95.08589	3.6
97.02929	1.1
101.06002	2.3
105.07013	2.6
107.04929	2.5
107.08595	2.4
109.06541	1.4
109.10172	1.9
111.04424	1.6
117.07041	1.3
119.04893	1.3
119.08544	2.5
121.10118	2.1
123.00817	1.9
123.04412	2.2
128.06221	4.2
129.05479	1.4
132.29066	1.0
133.10153	2.3
135.04411	3.3
137.02361	3.9
141.01843	3.7
143.08595	4.8
145.06506	3.5
145.10141	1.5
147.04416	2.7
147.06480	1.1
149.02319	1.6
149.05981	1.4
151.03903	2.5
155.03287	1.0
156.08380	5.4
161.02371	4.4
161.05968	1.9
165.01851	26.0
165.07091	1.2
167.03340	1.4
169.06497	1.3
171.08076	10.1
173.05914	1.5
176.04817	1.0
177.01851	2.8
177.05429	2.0
179.03387	1.8
183.02924	6.6
185.09702	1.1
190.02640	1.9
191.03305	1.6
191.07014	1.4
192.11809	1.0
197.09294	2.9
201.05447	2.4
203.03406	4.2
203.10681	13.7
204.04132	2.0
208.03699	1.2
215.03345	1.3
219.06488	7.5
219.10152	1.4
231.10031	1.1
241.04863	1.1
243.08023	6.7
245.11665	1.1
253.04944	2.7
255.06548	2.2
271.05948	2.0
279.10068	1.1
281.04483	6.1
283.06171	2.1
283.09610	2.3
287.05563	2.5
295.06198	1.9
297.07587	2.0
299.05518	48.1
300.05917	1.7
301.12042	2.7
307.09488	1.3
311.05527	8.3
311.09268	3.2
313.07266	1.1
323.05414	5.3
324.06311	4.2
325.07050	2.1
325.10516	2.5
326.11554	1.2
335.09088	9.0
337.07089	5.0
338.07828	5.4
339.17398	2.2
353.10196	100.0
354.10577	3.3
371.11273	79.3
371.19968	16.0
371.25131	2.0
372.11661	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1127
Annotation	Dihydroisoderrondiol
Peak:m/z	Relative Intensity
55.01863	2.1
64.02752	0.7
65.03956	0.8
67.05497	0.8
68.99796	1.1
70.72730	1.3
70.73094	1.1
79.05467	0.7
81.03404	0.7
81.07083	1.4
95.04947	0.7
99.18978	0.6
105.06998	0.6
107.04963	1.0
109.06557	0.6
109.10142	0.6
111.57032	0.5
123.00792	2.5
129.06989	0.8
131.04967	0.9
135.04428	1.5
137.02330	2.6
137.05939	0.8
141.01843	4.1
147.04333	0.8
149.02368	1.3
153.01828	0.7
155.03436	1.0
161.02370	1.7
165.01851	37.0
177.01851	1.3
179.03462	1.1
183.02914	8.3
190.02687	1.0
197.06030	0.9
201.05476	1.1
203.03430	0.9
204.04253	1.1
215.03406	2.0
219.06548	3.8
229.04982	2.0
253.05042	2.2
257.04352	0.7
261.09021	0.7
271.05997	1.0
281.04489	11.2
283.09641	1.0
299.05508	28.3
301.10886	0.8
311.05560	4.2
313.07031	0.9
325.10703	1.2
335.09256	1.6
338.08115	0.7
353.10236	10.6
371.11267	100.0
372.11691	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	371.1125
Annotation	2,3-Dehydrokievitol
Peak:m/z	Relative Intensity
50.01570	0.7
55.01873	0.9
55.05507	1.0
65.03939	1.3
66.05495	0.6
67.05498	1.6
68.99792	2.5
69.03423	0.9
70.78661	1.8
72.02466	0.6
79.05492	1.2
81.07063	3.6
83.04968	4.5
91.05464	0.9
93.07051	0.7
95.08598	1.5
105.03410	0.8
105.07012	1.3
107.04937	1.7
109.06516	2.1
109.10186	0.7
117.07086	0.9
119.04915	0.8
121.02822	0.9
121.06472	0.9
121.51524	0.7
123.00870	0.7
123.04412	1.9
123.07189	0.6
123.08074	1.2
135.04414	1.8
137.02307	0.8
137.05930	0.9
141.01785	1.5
145.06488	1.8
147.04439	1.2
149.02385	2.3
149.05951	1.1
151.03915	0.8
157.06494	0.7
161.02351	3.2
163.03908	0.8
165.01828	12.5
165.05540	0.9
167.07027	0.7
173.05885	0.7
176.04758	1.2
177.01881	4.3
177.05490	2.5
179.03365	0.7
183.02930	3.1
185.02486	0.7
187.07544	0.7
189.01813	1.7
190.02631	2.7
191.03365	1.7
191.07014	2.0
201.05499	2.5
201.09174	0.7
203.03378	1.7
203.10733	0.7
204.04242	3.3
213.05440	1.3
219.06538	11.9
228.91386	0.7
229.04887	1.4
241.05037	1.7
253.04999	1.2
255.06480	1.9
255.10300	1.3
265.04825	0.9
265.08554	1.4
268.07217	1.1
279.09991	1.0
281.04440	4.1
283.06436	0.8
283.09662	4.3
287.05374	0.8
293.08020	0.9
295.05939	0.9
299.05508	15.6
311.05435	3.0
311.08957	1.3
315.04984	2.7
317.07993	1.3
319.05963	1.1
320.06781	1.8
325.10718	1.1
335.09021	4.6
337.07233	1.0
338.07928	1.2
353.10199	100.0
354.10602	2.5
371.11148	8.3
371.14841	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.3318
Annotation	Semiplenamide F
Peak:m/z	Relative Intensity
51.44192	8.5
55.05513	58.3
57.07079	65.8
60.24917	9.5
63.96958	8.3
67.05500	31.2
68.27255	8.5
69.07078	100.0
70.06575	10.8
71.08637	47.9
71.48334	9.2
71.48776	20.2
74.02444	43.0
75.00816	11.3
79.05493	15.2
81.07044	49.8
82.06596	16.1
83.08624	64.6
84.04507	30.3
84.08147	21.6
85.10181	18.0
93.07067	24.1
94.00137	9.4
95.08614	56.2
96.08139	17.7
97.10175	37.8
107.08601	13.5
109.10144	29.3
110.09644	9.8
111.11716	33.7
123.11703	16.1
145.87375	8.9
209.11484	9.3
282.31699	34.7
306.31671	50.9
324.32635	13.1
352.32004	64.2
370.33246	65.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97287	1.3
53.03946	9.8
55.01867	3.4
55.05509	3.0
56.05037	2.3
57.03431	5.8
61.17112	1.4
67.05512	11.7
68.99787	2.7
69.03431	29.2
69.07068	2.1
69.38101	10.7
70.06602	12.9
72.08145	4.8
74.84711	1.3
79.05478	4.4
81.03421	33.5
81.07056	3.2
84.04488	1.5
84.08152	8.7
85.02438	2.3
85.02911	32.6
86.09687	6.8
87.00828	7.0
91.05490	5.8
94.06578	2.0
95.04971	6.9
96.08143	1.8
97.02886	6.4
99.04432	3.7
103.03953	2.6
105.03406	16.2
105.07005	1.5
106.03722	8.0
107.04955	2.1
108.08128	2.4
109.02886	14.9
110.07156	2.8
118.06561	2.4
120.08134	6.5
121.06525	1.7
122.06030	5.3
123.04449	2.5
124.07587	2.0
126.05531	2.3
127.03919	12.1
129.10257	4.0
130.06485	1.6
131.04906	1.4
131.08606	1.5
134.10463	1.8
136.07576	4.5
137.06007	2.5
140.07082	15.5
146.06021	1.9
149.09561	1.4
150.09119	2.7
152.07074	100.0
159.08034	1.5
164.07106	1.8
164.10765	3.2
171.02907	3.5
178.08656	9.4
179.06978	3.3
180.07352	4.4
182.08192	2.5
187.07510	1.4
189.03996	7.3
190.13150	1.6
192.10204	8.9
202.08644	3.7
206.08160	6.1
208.06786	2.6
220.09740	18.0
248.09207	75.2
334.09039	7.8
352.10587	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2427
Annotation	5-Methyl-3-farnesyl-3-hydroxycoumarane
Peak:m/z	Relative Intensity
53.03941	2.2
53.07624	0.7
53.93468	0.7
55.01867	3.7
55.05309	0.7
55.05516	8.8
57.07065	1.4
63.58427	0.7
65.03946	0.9
67.05508	15.2
69.03426	2.1
69.07073	7.3
71.04990	2.3
79.05502	10.5
81.03416	6.6
81.07063	13.3
83.04974	2.2
83.08598	2.4
85.06528	0.8
85.96506	0.7
87.54637	0.8
91.05488	13.3
93.07052	12.4
95.04981	6.5
95.08614	10.4
97.02879	2.1
97.06530	1.5
97.10168	2.0
99.76151	0.9
105.07028	12.4
107.01868	0.7
107.04975	4.9
107.08616	6.6
109.06528	1.4
109.10172	3.3
111.04469	2.7
111.08016	1.4
115.05455	3.2
117.07030	10.0
119.04933	1.2
119.08597	6.0
121.06501	3.1
121.10137	4.0
123.04449	1.3
123.08077	1.2
123.11663	1.1
125.09633	0.9
128.06215	6.8
129.07016	13.2
131.04984	2.3
131.08572	12.5
133.06516	3.9
133.10124	5.2
134.10718	0.7
135.08047	2.6
135.11685	1.7
135.70476	0.8
141.06995	7.3
142.07794	6.4
142.10797	0.8
143.08569	13.6
143.09587	1.5
144.09309	1.0
145.06528	5.7
145.10126	10.1
147.08023	1.8
147.11720	2.9
149.06070	1.2
149.09645	1.6
151.07568	1.0
153.07019	2.9
154.07805	2.3
154.55470	0.8
155.08568	12.2
156.09348	2.0
157.06523	7.2
157.10133	10.9
158.07234	1.8
159.08067	6.0
159.11732	6.3
161.05959	1.2
161.09639	2.7
161.13249	1.6
165.06993	2.6
166.07787	1.4
167.08585	6.4
168.09427	1.7
169.06482	2.5
169.10170	10.4
170.07309	2.2
171.08067	10.3
171.11696	8.1
172.08890	1.0
173.09599	4.2
173.13272	3.5
175.11185	1.3
179.08623	2.9
180.09373	1.4
181.06491	1.1
181.10176	6.0
182.07254	0.9
182.10825	0.8
183.08069	6.4
183.11670	8.2
184.08798	1.5
185.09648	8.4
185.13298	5.9
186.10468	1.0
187.07523	1.4
187.11244	4.0
187.14851	1.1
189.09219	1.0
189.12823	1.5
192.09430	1.2
193.10146	3.0
195.08105	0.9
195.11717	5.2
196.08809	1.3
197.09612	6.4
197.13263	5.3
198.10384	1.8
199.11224	5.7
199.12839	0.9
199.14856	3.1
200.11874	0.8
201.09073	1.5
201.12772	1.8
203.10707	1.9
207.11684	3.2
209.13313	4.7
211.11270	5.5
211.14807	3.0
212.11929	1.1
212.90898	0.9
213.12756	6.6
215.10718	0.9
215.14261	2.0
217.12343	1.2
221.13257	2.2
223.14873	2.3
225.12764	6.0
225.16411	1.0
227.14308	5.3
229.12241	1.1
231.13837	1.3
235.14900	1.9
237.12860	1.1
237.16440	1.6
239.14253	3.7
239.17976	1.0
241.15846	1.3
243.13713	1.6
253.15886	2.5
257.15366	1.1
267.17429	1.9
271.20605	0.9
285.18454	1.0
297.18613	0.9
299.20352	1.7
299.23587	1.3
309.22226	2.0
311.20340	1.0
313.18137	1.0
313.21582	1.0
323.23654	3.3
327.07861	0.9
327.23270	2.9
333.22116	3.0
341.24805	7.3
351.23230	27.8
352.23688	1.2
369.24271	100.0
370.24478	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	369.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.1
55.05516	1.9
56.76643	1.1
58.06591	5.7
70.06594	22.4
70.80322	1.1
70.80656	1.5
72.08155	41.1
84.04501	2.7
84.08158	5.8
85.06536	1.1
85.08925	1.0
86.09708	1.5
89.49609	0.9
91.05481	1.1
93.07058	1.2
94.44688	1.1
98.09703	1.4
100.11256	73.7
105.01876	1.0
114.09174	2.8
115.12347	1.4
117.13885	7.1
119.04919	2.5
120.08121	1.0
121.06538	0.9
123.04460	2.1
126.09177	4.5
133.02895	1.1
135.04434	1.5
137.05994	1.1
140.06995	0.9
146.06024	1.1
147.04443	3.1
149.06006	1.4
151.03914	19.7
156.07677	1.2
161.02315	2.7
163.03923	6.3
165.05476	4.1
174.05492	2.9
175.03906	65.6
177.05487	5.4
179.03416	2.7
179.07031	5.6
182.08067	1.6
193.04980	5.2
195.06618	2.1
202.04971	8.2
203.03389	22.7
203.05254	1.8
207.06516	19.2
211.06017	3.9
220.06061	6.7
234.07646	2.7
234.96796	1.0
235.06003	24.7
252.97874	0.9
281.18610	3.9
288.12302	1.6
290.70840	0.9
292.53452	1.0
306.13354	6.5
307.13800	0.9
308.14844	6.0
319.16605	1.3
324.14529	5.5
333.85580	0.9
351.19147	54.3
352.19424	1.3
357.01782	0.9
369.20203	100.0
370.20718	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	369.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80850	5.5
53.03945	12.1
55.01871	13.3
55.05501	20.9
57.03422	10.7
59.05016	6.8
65.03942	9.9
67.05489	28.1
69.03438	71.4
69.07057	15.5
70.06605	36.3
71.04983	15.4
71.48313	6.0
72.08148	10.8
79.05489	32.9
81.03418	22.3
81.07060	44.9
83.04965	15.9
83.08625	11.5
84.08163	29.8
85.02900	41.3
85.06536	10.5
86.09716	24.9
91.05501	48.7
93.07073	38.0
95.01357	10.8
95.04963	19.5
95.08599	36.5
97.02906	25.6
97.06528	13.0
99.04452	10.4
99.08086	7.7
103.05468	11.8
105.07048	52.9
107.04946	9.8
107.08600	33.0
109.02857	12.1
109.06538	16.2
109.10157	17.8
111.08089	10.0
115.05528	7.3
117.07018	9.2
119.04995	7.5
119.08618	49.0
120.08123	43.8
121.06501	15.1
121.08459	8.1
121.10152	23.4
123.04326	11.0
123.08064	41.1
123.11691	16.0
125.09643	26.9
127.03926	15.8
128.06261	10.6
129.07011	8.9
130.06551	8.6
131.04921	7.6
131.08556	15.3
133.06502	100.0
133.10162	47.5
135.08052	17.7
135.11662	12.7
136.07591	7.6
137.05984	93.5
137.09618	14.8
143.08554	8.5
145.10146	11.2
147.04425	16.1
147.08063	16.9
147.11702	24.4
149.09648	17.3
151.07533	42.5
159.08073	13.2
161.06018	29.3
161.09622	24.1
161.13260	14.6
163.03879	11.7
163.11189	18.0
165.09160	7.2
171.07997	10.0
171.11671	10.5
173.13210	7.2
174.10374	12.1
175.03894	11.0
175.07484	15.0
175.14806	15.3
177.05481	8.4
177.08994	6.8
187.07538	15.6
187.11180	12.6
189.09155	18.4
189.12766	72.7
190.07858	6.8
191.14302	34.6
192.08379	7.7
194.10504	6.1
203.08551	8.1
207.06499	16.1
207.13806	88.1
218.07472	8.0
221.09575	9.5
229.07054	10.6
234.06743	14.3
243.13840	18.3
248.08409	9.5
249.09085	20.3
251.06915	7.3
259.07736	6.5
277.08603	22.4
279.06561	7.1
293.08127	12.9
307.15469	10.8
309.11334	18.1
312.09763	6.5
319.09595	8.5
337.10782	19.0
350.64743	7.2
351.12042	10.0
351.18295	10.4
352.14102	18.7
369.09280	9.6
369.13327	59.4
369.19125	16.8
369.23434	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	369.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.9
55.01875	2.2
55.05516	4.1
57.03444	1.8
59.54065	1.6
60.04513	1.8
61.02925	3.6
62.29126	1.5
65.03944	1.8
67.05497	3.7
69.03437	15.8
69.07057	1.9
69.13203	1.4
70.06596	5.4
70.98956	2.7
71.04991	1.9
72.08150	3.5
73.02937	1.7
79.05495	5.4
81.03422	6.0
81.07045	3.2
83.04972	8.0
84.08145	6.6
85.02915	15.9
86.09718	5.2
91.05476	8.6
93.07043	3.8
95.04986	2.4
95.08598	3.6
97.02897	7.2
105.07039	10.1
106.19930	1.6
107.04906	2.0
107.08622	10.9
109.02866	6.1
109.06535	6.0
109.10154	6.3
114.84851	1.6
117.91730	1.7
119.04972	2.2
119.08583	13.6
120.08115	4.3
121.02891	8.8
121.06493	3.8
121.10181	8.1
123.00817	7.7
123.08079	5.8
125.05971	1.4
125.09655	2.0
127.03912	5.1
129.06976	1.7
131.04916	1.9
131.08539	3.7
133.06516	6.9
133.10112	20.8
135.08072	6.5
136.07608	3.7
137.09608	7.6
141.01799	3.6
143.08548	3.7
145.04973	2.9
145.10164	5.3
147.04430	1.8
147.08060	5.0
147.11728	7.4
149.09615	12.1
149.13266	2.1
151.07582	1.9
151.11192	39.8
152.07133	2.0
156.09378	6.0
159.08051	12.9
161.09618	6.0
161.13240	13.4
163.03894	1.6
163.11217	11.8
163.14859	1.8
165.09148	1.9
169.01335	7.0
171.11687	8.5
174.10431	37.5
179.10687	2.0
187.11215	1.9
189.12752	100.0
191.14320	21.8
198.06003	1.6
201.12785	1.9
207.13826	36.7
225.43031	1.7
243.22481	1.7
369.14740	2.9
369.19052	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	369.1334
Annotation	5,4'-Dihydroxy-5''-(1-hydroxy-1-methylethyl)-4''-methoxyfurano[2'',3'':7,6]isoflavone
Peak:m/z	Relative Intensity
50.18065	0.9
63.20548	0.9
67.05497	1.3
70.06607	0.9
74.84049	0.8
81.07085	0.9
86.85551	0.9
89.06006	1.1
91.05472	1.6
105.06990	1.2
115.05457	4.1
121.02878	0.9
129.06969	1.1
130.18216	0.8
131.04903	0.9
131.08524	1.3
133.08525	0.9
142.98024	1.6
144.99615	1.0
163.03920	2.8
165.00230	1.1
165.01762	0.9
165.07057	1.2
167.01839	1.3
167.03409	6.5
176.98608	1.0
185.02722	2.9
187.04361	1.4
194.07147	1.0
197.03839	0.8
197.09840	0.7
211.07495	1.8
225.09138	2.3
230.49557	0.8
238.06332	2.2
252.07779	1.5
253.08583	6.0
266.05722	4.4
269.08167	2.4
280.07227	2.1
281.07986	6.3
282.05280	1.2
294.05603	0.9
297.07599	7.8
309.07584	100.0
310.07916	2.1
323.12994	1.6
336.09787	1.2
351.12314	49.1
352.12613	2.1
369.13309	18.4
369.24359	2.5
370.13708	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1336
Annotation	Isosophoronol
Peak:m/z	Relative Intensity
55.01862	1.9
55.05501	2.5
62.12732	1.2
63.07740	1.5
67.01858	3.1
67.05510	5.7
68.99792	3.0
69.03419	4.7
69.07066	1.8
69.91128	4.9
70.06564	1.5
79.05505	1.9
81.07049	4.9
83.04969	2.6
84.08154	2.2
91.01837	1.3
91.05473	3.2
93.07034	2.6
95.04949	2.2
95.08616	3.8
97.02907	1.3
97.06510	1.5
98.20843	1.8
103.05479	1.3
105.07017	2.2
107.08596	2.6
108.12885	1.2
109.10181	1.8
111.04482	1.3
115.05455	1.9
119.08575	3.4
121.10128	2.6
122.07159	1.4
123.04443	10.1
124.60240	1.4
128.06230	2.2
129.07010	2.3
131.08565	7.3
133.10080	1.8
139.03842	1.2
139.11186	15.7
141.07025	2.8
142.07703	1.8
142.17877	1.3
143.04924	1.7
143.08556	1.8
149.06056	1.6
151.03911	6.1
153.01843	81.3
153.07040	3.8
155.08549	8.0
157.10089	2.8
159.06857	1.2
159.08037	4.2
159.11719	1.7
165.07011	3.9
167.03429	7.6
168.05722	2.8
171.02911	5.6
171.04341	1.3
171.08046	1.4
176.08347	2.1
179.03406	100.0
182.07317	1.6
183.08069	7.9
185.09703	1.5
187.07521	1.9
189.10135	1.3
191.10724	8.5
193.06606	1.7
195.85477	1.2
197.06024	1.8
201.09157	2.2
210.06725	1.7
211.07562	9.4
212.08028	1.2
213.05489	2.5
215.10599	2.5
217.12315	3.3
225.09189	6.7
227.07051	1.6
228.07835	3.8
243.10216	21.2
265.78085	1.2
269.08167	5.9
281.07938	1.4
297.07611	20.0
309.07614	14.9
333.11230	1.4
336.10007	1.2
337.36948	1.4
351.12329	13.2
353.32791	1.3
369.13358	43.2
369.24280	5.1
369.30493	4.5
370.13562	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	369.1335
Annotation	Ciliatin B
Peak:m/z	Relative Intensity
50.38465	0.4
53.03955	0.7
67.05503	1.3
68.99802	0.5
70.06565	0.6
70.69227	0.6
70.69572	1.2
74.94887	0.6
77.88213	0.5
79.05492	1.0
80.66107	0.5
80.66606	0.6
81.07073	1.3
81.75333	0.5
91.05483	1.0
93.07032	1.0
95.08599	1.2
103.05484	7.1
105.07041	1.2
107.08563	0.7
109.04681	0.5
109.10147	1.1
119.08582	0.6
121.10184	0.6
123.00694	0.4
129.06946	0.5
131.04936	20.3
133.10129	0.6
141.01813	1.1
145.10083	0.6
153.01837	1.5
153.06932	0.8
155.08669	0.7
165.01854	4.2
165.06937	0.6
171.04453	1.0
175.03928	0.7
199.03857	1.2
217.12238	0.6
225.05414	0.6
229.05028	1.1
239.07051	1.9
241.05009	0.7
267.06595	4.7
278.05899	0.9
295.06033	100.0
296.06573	3.5
313.07071	66.2
314.07355	1.4
314.71573	0.5
351.12357	4.9
369.13330	15.0
369.23230	0.7
369.29370	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37920	0.9
55.05502	0.9
60.00119	0.8
67.05503	2.6
68.93833	0.8
69.07065	1.4
69.29814	0.9
70.06589	1.4
70.29130	2.3
70.29507	2.1
71.04996	29.9
77.86031	1.1
81.07050	1.5
91.05489	5.2
93.07061	2.2
95.04957	1.6
95.08567	1.2
98.20834	1.2
99.04459	40.9
107.08620	1.2
109.06533	2.9
113.43384	0.9
115.10399	0.9
119.04952	2.5
121.10144	1.4
126.84146	1.0
131.04959	6.8
131.08533	1.1
140.46565	1.0
147.04424	21.2
159.04427	6.0
167.10834	1.2
175.03946	2.4
203.03400	100.0
229.66109	1.0
242.98674	1.0
267.62924	1.1
271.09653	1.7
369.23969	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73119	2.0
53.03941	9.5
55.01878	11.5
55.05498	3.6
55.12813	2.0
56.05037	4.7
57.03426	5.6
60.04525	3.1
60.08178	2.2
61.02916	8.2
66.03366	1.9
67.05480	2.0
68.99758	3.4
69.03429	31.4
70.06594	24.9
71.04989	6.2
71.48346	2.3
72.08170	13.0
73.02911	11.9
74.06082	4.3
75.74512	1.8
81.03423	30.7
83.80435	2.1
84.04517	5.9
84.08138	13.8
85.02907	100.0
85.06596	2.0
86.09710	11.7
87.00829	48.2
87.04431	2.5
91.04005	2.5
91.05495	3.4
95.04935	2.7
97.02891	42.5
98.97617	2.4
99.04449	13.7
100.96041	2.0
102.05544	3.4
102.73914	2.1
103.05428	2.9
105.01868	59.2
107.04935	3.2
109.02887	27.8
110.07153	15.5
112.08765	2.6
115.03956	2.1
115.05463	2.8
116.05869	2.0
117.01830	3.7
120.08131	14.5
121.08447	4.4
127.02982	4.6
127.03918	80.8
127.08700	2.6
128.02899	1.9
129.10223	4.6
130.08617	2.6
131.04932	4.3
136.07565	6.8
145.04967	45.0
147.02907	3.5
156.07671	4.8
158.05972	2.8
159.02890	22.7
159.09166	2.9
163.03870	4.5
164.04253	2.3
164.07066	2.8
175.08755	3.2
178.04971	2.1
182.08147	4.5
187.03853	13.1
188.04243	15.0
189.04005	3.4
213.04117	2.6
221.09224	4.9
231.05016	13.7
241.08727	2.2
249.06114	4.2
368.08325	3.5
368.17319	2.3
369.15225	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	367.2846
Annotation	3beta-Acetoxy-8beta,15-dihydroxy-ent-labda-13E-ene
Peak:m/z	Relative Intensity
55.01854	1.1
55.05519	12.4
57.03436	1.1
57.07073	4.5
60.40033	1.1
66.34670	1.1
67.05512	12.2
69.07072	18.6
70.66428	2.7
70.66785	1.0
71.04981	1.9
71.08637	12.1
72.08171	1.1
75.61516	1.0
77.86966	1.0
79.05501	5.1
81.07066	18.6
83.04976	2.2
83.08624	9.1
85.06561	2.7
85.10173	1.2
91.05472	5.9
93.07061	12.1
95.08614	18.8
97.06551	3.0
97.10186	2.5
99.08102	12.3
104.87598	1.0
105.07034	6.1
105.89412	1.1
107.08611	13.3
107.25546	0.9
109.06510	7.1
109.10158	7.6
111.04443	1.9
111.08087	3.9
117.07072	1.3
119.08595	6.9
121.06471	1.7
121.10141	7.7
123.08082	27.2
123.11704	4.3
125.06008	1.6
131.08595	1.8
133.10132	9.3
135.08066	4.2
135.11687	4.3
137.09621	3.4
137.13264	2.4
139.07588	1.0
145.10118	2.8
147.11713	3.8
149.09628	2.3
149.13263	3.6
151.11183	1.7
153.12737	3.7
157.70496	1.2
159.11658	1.5
161.13232	2.3
165.12733	1.7
167.14253	1.2
173.13219	1.4
175.14803	2.2
177.12799	1.2
179.14331	30.5
181.12289	1.1
189.16483	1.6
191.14561	1.3
193.15880	1.7
251.20079	11.0
281.05014	1.3
293.21075	10.6
293.28427	4.6
303.26892	13.0
321.27896	4.7
331.26324	40.8
349.27402	100.0
350.27676	1.8
367.11530	2.4
367.28336	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	367.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.4
55.01863	3.1
55.05519	23.8
57.07064	13.2
59.05002	5.7
65.03963	5.9
67.05508	45.8
69.03427	7.2
69.07069	25.6
69.74846	17.3
71.04996	7.4
79.05144	3.3
79.05499	38.3
81.07059	61.1
83.04984	4.7
83.08624	6.2
85.06543	6.1
91.05481	69.4
91.33884	3.0
93.06490	4.4
93.07054	86.9
94.07413	3.0
95.04979	41.6
95.08614	58.5
97.06522	16.3
97.12559	3.4
98.21496	5.9
103.05450	4.9
105.07040	98.2
107.08601	69.8
109.06521	13.2
109.09481	3.8
109.10167	44.2
109.10858	5.6
111.08079	4.3
115.05440	6.7
116.06245	4.8
117.07019	22.7
119.06110	3.2
119.08586	100.0
119.54384	2.8
121.06486	8.2
121.10149	51.6
122.83397	2.6
123.08033	5.5
123.11733	14.4
128.06235	16.9
129.07002	23.2
130.07820	7.5
131.02347	3.4
131.08560	54.8
133.10138	66.2
135.08124	15.4
135.11714	21.2
137.09596	5.3
141.06973	9.6
142.07770	22.8
143.08566	37.9
144.09360	16.1
145.09090	4.3
145.10147	63.7
146.07271	6.0
146.10669	2.9
147.08051	7.7
147.11699	20.1
149.09628	14.2
149.13235	7.0
153.06958	4.1
155.08525	13.4
155.85909	3.1
156.09390	15.1
157.10138	58.1
158.10876	8.9
159.08058	6.8
159.11687	39.4
161.09628	40.9
161.13210	13.2
163.11270	6.0
167.08578	10.8
168.09323	6.7
169.10130	20.1
170.10851	9.3
171.11681	31.1
172.12125	5.8
173.09616	10.0
173.13278	25.1
175.11185	12.5
175.14835	19.8
177.62711	2.8
179.08565	12.7
181.10133	7.6
182.10860	5.7
183.11728	24.1
185.09634	6.0
185.13246	11.4
187.14876	15.5
189.12767	4.6
193.10152	6.2
194.10942	9.5
195.11696	10.8
196.12511	4.7
197.13313	16.9
199.11075	2.9
199.14822	13.5
201.12759	8.2
201.16476	8.9
207.11757	3.9
209.13298	24.6
211.14836	10.6
213.12660	5.3
213.16396	5.6
223.14761	7.7
225.16403	7.4
227.14297	12.7
237.16373	5.1
239.17903	8.1
243.17474	4.2
249.16118	4.2
265.19623	5.3
267.17520	4.5
283.20691	3.6
349.25085	8.3
367.26343	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	367.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88729	4.7
53.03933	8.7
55.01880	30.0
55.05510	47.2
56.96576	8.4
57.03423	10.0
67.05502	75.8
69.03455	7.8
69.07066	37.2
70.06580	6.8
71.04996	10.2
71.48904	7.1
72.08178	7.1
79.05495	68.6
79.53528	4.7
80.86250	5.8
81.03402	5.2
81.07054	67.2
83.04983	15.3
83.08631	16.9
86.09721	9.9
91.05480	65.8
93.07047	60.0
95.04992	22.4
95.08610	50.5
97.06541	51.3
97.10194	17.8
98.97568	11.3
105.07043	61.8
107.04967	32.1
107.08588	61.6
109.06509	13.4
109.10149	26.7
111.08122	6.7
117.07035	23.9
119.08588	45.3
120.08118	11.8
120.10108	4.8
121.06525	10.7
121.10170	22.1
123.11756	6.6
125.09650	20.1
128.23824	5.1
129.07036	8.8
131.08598	22.7
133.10133	40.1
135.08093	14.8
135.11737	16.3
145.10141	29.7
147.04451	6.5
147.11688	22.1
149.09598	51.3
149.13322	8.2
151.11206	9.3
157.10175	13.5
159.11702	23.6
161.13358	8.7
163.11191	16.4
165.09160	11.5
171.10205	5.9
171.11748	8.1
173.13199	8.0
177.12762	8.7
183.11719	6.5
189.11220	9.9
189.12805	6.2
197.13315	9.6
203.03445	18.5
213.86777	5.8
227.12840	7.2
239.17973	13.7
257.19046	20.2
275.20053	100.0
293.21039	9.6
349.23831	34.8
367.11801	9.8
367.25119	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	367.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.3
55.01860	5.9
55.05521	14.9
57.03439	6.5
58.95683	2.4
60.95192	2.4
61.56486	2.4
64.23592	2.8
67.05242	2.5
67.05513	27.2
69.03429	6.6
69.07085	16.0
70.06574	4.2
71.04980	2.8
77.54518	2.9
79.05489	26.0
81.07063	32.3
83.04993	6.5
83.08620	4.6
91.05481	25.7
93.07046	29.8
95.04961	6.0
95.08612	20.5
97.06522	5.8
105.07037	29.2
107.04955	5.1
107.08614	19.2
109.06516	11.3
109.10127	9.5
111.08056	5.8
117.07001	9.1
119.08591	19.1
121.06470	13.4
121.10122	12.5
123.08067	9.0
123.11752	3.5
131.08606	17.2
133.10138	18.9
135.08057	9.4
135.11688	7.5
137.09595	4.4
143.08540	5.4
145.10173	17.0
147.08046	5.5
147.11682	10.9
149.09630	9.2
155.08536	3.3
157.10110	6.7
159.07935	3.0
159.11731	11.0
161.09599	6.2
161.13240	3.4
163.11217	4.0
171.11583	4.2
173.13339	5.4
175.11230	4.5
187.11139	4.6
191.14374	4.3
197.13327	3.8
201.12769	5.6
203.03372	8.8
207.13901	3.2
219.13855	3.8
239.17821	3.2
247.20569	5.2
257.19022	18.7
275.20078	100.0
293.20999	7.9
349.23834	33.6
367.11688	7.3
367.18030	4.4
367.25018	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	367.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16233	4.1
53.03941	11.1
54.88739	4.9
55.01877	27.8
55.05511	34.3
56.96569	7.1
57.03442	12.6
63.31334	4.7
67.05505	76.1
69.03424	11.2
69.07069	31.4
69.28750	4.8
71.05006	7.1
71.48656	7.3
72.08141	5.2
79.05499	66.1
81.07063	93.2
83.04982	11.8
83.08615	13.3
84.08153	9.6
86.09724	7.5
88.53775	4.9
91.05492	46.5
92.33681	4.3
93.07051	56.3
95.04979	15.0
95.08598	54.7
97.06541	31.7
97.10181	8.5
105.07032	49.5
107.04947	18.6
107.08604	49.9
109.06544	16.3
109.10169	29.0
111.08064	5.7
117.06992	22.6
119.04975	5.8
119.08578	43.9
121.06500	9.4
121.10157	17.7
121.49745	4.7
123.08108	10.5
123.11720	10.3
125.09624	10.0
129.07014	6.0
131.08556	19.8
132.29620	5.4
133.10121	37.3
133.41951	5.3
135.08099	6.0
135.11676	10.8
136.48871	4.7
137.09625	8.7
143.08575	8.1
145.10144	30.0
147.11696	28.2
149.09579	24.3
157.10121	6.8
159.11681	21.5
161.09683	5.6
161.13315	6.2
163.11208	8.9
165.09167	4.8
165.12630	5.1
169.10147	6.8
171.11716	6.0
173.13231	5.6
177.12672	7.5
189.11371	10.8
203.03433	18.7
228.51674	4.8
229.07607	7.6
239.17929	6.8
247.08485	5.3
247.20581	13.9
251.19960	6.8
257.18982	19.9
269.10736	5.7
275.20090	100.0
293.20975	6.2
349.23877	26.4
367.11758	14.8
367.18002	7.6
367.24976	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	367.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48065	1.3
53.03934	4.7
55.01871	7.4
55.05507	2.0
56.61675	1.0
57.03436	5.5
57.07067	3.7
60.04530	1.9
61.02916	5.0
61.47686	1.6
67.05505	2.2
68.99786	3.8
69.03432	44.4
69.27257	1.2
69.28638	11.1
70.06601	8.2
71.04986	2.9
72.08157	2.3
73.02898	2.3
79.05505	1.3
81.03426	18.7
81.07030	3.2
83.01352	1.5
83.05003	1.4
84.04513	1.5
84.08154	6.1
85.02908	100.0
86.09702	8.0
87.00832	56.2
87.04462	2.4
87.05585	2.2
91.05476	3.8
91.93275	1.2
93.07053	2.1
95.04951	1.2
95.08619	1.9
97.02898	24.8
99.04455	8.6
103.03979	1.3
103.05450	1.4
105.01874	58.3
105.07043	1.8
107.04932	1.9
109.02890	25.6
117.07030	1.3
119.04972	1.7
119.08588	1.7
119.10725	2.0
120.08121	9.2
121.06485	1.6
121.08425	4.4
125.09623	3.2
127.03926	56.6
129.10187	1.7
131.04993	2.2
131.08609	1.3
133.47044	1.2
135.04436	1.5
137.02371	3.4
141.01833	1.9
144.08150	2.3
145.04964	18.7
145.08379	1.8
145.10106	1.7
147.02885	1.9
147.04387	2.8
153.05450	2.1
155.04935	1.5
159.02890	4.0
163.03947	4.3
163.09561	1.8
165.01828	13.4
171.04405	1.5
183.02878	3.3
183.04420	1.7
187.03911	2.9
189.03922	2.8
207.11281	4.5
208.11714	6.1
211.03873	3.5
213.03876	2.7
231.05014	11.8
239.03355	3.5
261.05536	1.5
279.06516	1.8
280.17468	1.1
283.06021	55.9
284.06354	1.5
289.04846	1.4
296.06738	2.3
303.06403	1.8
307.06046	8.9
311.09036	1.3
321.07706	3.9
324.06085	2.3
339.08673	3.4
349.06982	3.0
367.08160	11.8
367.15692	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48065	1.3
53.03934	4.7
55.01871	7.4
55.05507	2.0
56.61675	1.0
57.03436	5.5
57.07067	3.7
60.04530	1.9
61.02916	5.0
61.47686	1.6
67.05505	2.2
68.99786	3.8
69.03432	44.4
69.27257	1.2
69.28638	11.1
70.06601	8.2
71.04986	2.9
72.08157	2.3
73.02898	2.3
79.05505	1.3
81.03426	18.7
81.07030	3.2
83.01352	1.5
83.05003	1.4
84.04513	1.5
84.08154	6.1
85.02908	100.0
86.09702	8.0
87.00832	56.2
87.04462	2.4
87.05585	2.2
91.05476	3.8
91.93275	1.2
93.07053	2.1
95.04951	1.2
95.08619	1.9
97.02898	24.8
99.04455	8.6
103.03979	1.3
103.05450	1.4
105.01874	58.3
105.07043	1.8
107.04932	1.9
109.02890	25.6
117.07030	1.3
119.04972	1.7
119.08588	1.7
119.10725	2.0
120.08121	9.2
121.06485	1.6
121.08425	4.4
125.09623	3.2
127.03926	56.6
129.10187	1.7
131.04993	2.2
131.08609	1.3
133.47044	1.2
135.04436	1.5
137.02371	3.4
141.01833	1.9
144.08150	2.3
145.04964	18.7
145.08379	1.8
145.10106	1.7
147.02885	1.9
147.04387	2.8
153.05450	2.1
155.04935	1.5
159.02890	4.0
163.03947	4.3
163.09561	1.8
165.01828	13.4
171.04405	1.5
183.02878	3.3
183.04420	1.7
187.03911	2.9
189.03922	2.8
207.11281	4.5
208.11714	6.1
211.03873	3.5
213.03876	2.7
231.05014	11.8
239.03355	3.5
261.05536	1.5
279.06516	1.8
280.17468	1.1
283.06021	55.9
284.06354	1.5
289.04846	1.4
296.06738	2.3
303.06403	1.8
307.06046	8.9
311.09036	1.3
321.07706	3.9
324.06085	2.3
339.08673	3.4
349.06982	3.0
367.08160	11.8
367.15692	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1182
Annotation	5-[[3-(4,5-Dihydro-5,5-dimethyl-4-oxo-2-furanyl)-2-butenyl]oxy]-7H-furo[3,2-g][1]benzopyran-7-one
Peak:m/z	Relative Intensity
52.11740	3.9
53.03938	7.8
55.01870	5.7
55.05499	9.3
65.03947	5.7
67.05505	22.7
69.03423	12.2
69.07069	7.2
70.61697	3.8
70.62034	6.0
72.08164	4.9
79.05500	20.6
81.07048	14.3
91.05492	85.6
93.07043	34.8
95.04943	8.5
95.08618	19.5
97.02876	5.9
103.05467	5.4
104.06261	4.8
105.07043	16.7
107.04963	6.8
107.08605	41.7
109.02824	3.5
109.06517	8.8
109.10183	20.6
111.04449	7.4
112.79669	3.3
115.05470	9.7
116.98454	4.6
117.07044	17.9
119.04923	5.3
119.08595	87.6
121.06484	8.1
121.10155	3.6
123.04420	3.5
123.08076	9.6
128.06242	4.9
129.07002	12.9
131.00023	4.5
131.04948	15.0
131.08582	3.0
133.06436	4.0
133.10118	3.9
135.08066	5.1
137.09637	28.4
138.87997	3.7
140.98459	6.0
143.08578	5.4
145.10156	7.4
147.04440	17.9
147.08055	70.7
147.11674	5.0
157.02917	6.1
159.04407	11.7
165.01964	3.6
165.09148	45.3
175.03894	5.4
179.10704	3.2
187.03899	13.7
203.03403	100.0
215.03421	12.8
241.05060	4.1
245.04016	3.5
253.04970	11.0
255.06470	21.5
265.04904	6.3
268.07285	6.0
275.20114	23.4
279.06363	4.7
293.11606	4.6
311.05380	4.2
321.11176	25.4
331.23251	3.2
349.10687	23.4
349.23935	4.4
350.46017	3.2
367.11710	35.0
367.24649	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	367.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99416	0.5
55.01873	0.8
55.05505	1.0
65.03931	1.3
67.05507	5.8
69.03426	2.0
69.07054	0.6
69.63864	2.1
69.64279	1.2
71.78426	0.5
73.02905	0.5
79.05481	2.2
81.07050	1.7
83.04965	0.6
83.08611	0.6
91.05489	39.1
93.07053	5.8
95.04957	0.8
95.08623	2.9
97.02898	8.6
98.65924	0.5
103.05486	1.6
105.07035	0.7
107.08582	1.1
109.06529	0.8
109.10168	9.4
116.98438	0.8
117.07031	3.5
119.04958	4.2
119.08588	19.4
119.26183	0.6
120.07983	0.5
120.08864	0.6
121.10153	1.7
128.24802	0.6
129.06999	0.7
129.96182	0.5
131.00011	0.5
131.04938	5.8
135.08081	0.7
137.09627	3.1
140.98460	0.8
141.03311	0.6
147.04417	17.5
147.08051	15.2
159.04449	5.7
165.09132	5.6
175.03912	8.5
202.02722	0.9
203.03410	100.0
204.03749	1.9
215.03365	3.2
251.95505	0.6
367.11896	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1022
Annotation	Rubinaphthin A
Peak:m/z	Relative Intensity
62.08943	5.2
69.24863	26.2
69.25287	24.9
70.70804	5.2
81.21039	6.3
95.08566	6.0
98.20748	9.6
107.04961	15.5
115.05461	26.5
131.04921	34.6
135.04417	6.3
143.04915	23.1
159.04369	12.8
163.03880	45.4
181.18846	5.2
187.03920	100.0
190.17552	5.5
205.04950	55.1
245.27881	5.8
283.05927	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	367.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42673	1.4
56.96566	53.5
56.96850	2.8
66.87126	1.6
69.55073	7.2
69.55486	3.1
70.98122	2.9
79.44546	1.6
84.08147	4.9
84.96054	3.8
85.02916	3.0
97.02865	2.1
98.21539	1.9
98.97592	73.7
100.99161	26.4
103.00639	1.8
110.97577	28.8
112.99142	7.5
113.39376	1.6
115.00613	2.9
116.98641	12.5
119.00189	4.7
119.01928	2.4
124.99154	2.0
127.00662	9.1
128.98604	15.0
131.00125	3.7
131.01941	2.7
133.01712	2.1
133.05365	2.6
141.99364	1.8
143.00151	5.0
143.01926	1.8
145.01740	34.1
146.99695	3.6
147.03252	3.0
152.98604	2.8
155.01962	3.8
157.01614	3.9
158.99683	19.9
159.03261	2.0
163.02786	52.2
163.03909	3.9
164.03096	1.6
168.98058	1.8
169.01701	1.8
170.99678	4.7
173.01282	1.8
175.02737	2.8
175.06400	2.0
177.00748	9.4
181.03853	9.5
187.02809	7.7
187.06305	2.7
189.00731	4.8
191.02435	1.9
195.01875	1.7
201.00720	7.3
205.03824	14.5
205.07425	3.7
217.03851	3.3
217.07494	4.9
219.01779	60.6
219.05107	2.8
223.04755	5.4
229.07869	1.7
235.01511	2.1
235.04800	3.0
237.02811	50.5
247.04881	8.0
255.03819	2.4
261.03149	3.0
265.05716	2.6
307.07050	100.0
307.10654	19.2
325.08075	84.7
345.85501	1.9
367.08939	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	366.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43538	15.9
55.05505	29.4
57.07069	22.2
65.27983	13.9
67.05523	73.3
67.05806	14.5
67.72779	14.9
69.07053	42.2
71.48369	17.2
74.02431	58.3
79.05479	48.0
81.07060	84.8
82.06582	53.4
84.08123	13.3
85.73010	16.7
91.05469	35.8
93.07024	48.0
94.06573	28.5
95.04999	15.5
95.08614	36.5
97.10152	17.0
105.07010	56.4
107.08605	27.6
108.02614	13.6
109.10165	16.7
114.34065	14.9
117.07030	19.4
119.08576	23.5
121.10136	37.9
122.09692	26.0
129.06970	14.2
131.08548	17.2
135.11652	16.8
145.10143	18.2
147.11610	16.3
159.11632	21.9
162.13812	14.6
163.02174	16.1
194.26340	14.3
214.80827	12.7
228.14583	16.6
228.65744	14.0
288.23288	27.0
306.24323	42.6
316.22723	16.8
320.26044	21.3
334.23849	30.1
348.25391	75.9
366.26154	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	366.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	16.3
56.05035	13.5
57.03435	7.2
59.99106	5.6
60.04528	40.6
61.02925	8.6
67.05504	9.6
69.03424	22.1
69.07077	78.0
70.06598	81.1
71.05000	75.6
71.48397	7.6
72.08160	47.9
73.06559	22.1
74.06082	19.3
79.05475	6.4
81.03427	13.4
81.07050	19.7
83.04987	5.6
83.57048	5.2
84.04507	23.1
84.08147	37.9
85.02909	95.3
86.06048	6.4
86.09718	59.9
87.05618	4.9
88.02216	8.6
88.04006	5.1
91.05470	17.6
93.07030	9.5
95.04956	7.2
95.08607	8.5
97.02911	23.6
97.06521	12.3
99.04429	7.2
102.05553	8.0
103.05470	6.5
107.08632	5.6
109.02918	13.6
109.06489	6.0
109.10184	10.3
110.07181	38.9
116.05328	7.2
119.04939	8.2
120.08118	54.4
121.06542	5.8
123.11723	8.8
124.07588	6.6
127.03911	20.7
129.10223	26.5
130.05054	7.4
131.04991	5.5
133.10141	8.4
135.08035	6.1
136.07574	18.0
145.04962	25.5
146.05978	5.9
147.04466	10.3
147.09166	21.2
151.11192	20.8
156.07787	9.1
159.04387	7.0
163.03979	10.1
163.06013	9.8
164.07130	9.2
166.08646	10.3
169.12254	100.0
173.12880	12.4
187.03949	25.1
207.11307	5.9
219.26830	5.0
220.04669	11.1
253.11771	8.6
281.15027	24.3
306.20212	5.5
316.13715	11.7
328.48364	6.3
330.26376	7.4
338.07181	7.0
348.27548	7.5
366.06870	29.0
366.10699	11.3
366.21640	5.6
366.28461	16.5
367.08121	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	5.0
54.52232	0.7
55.01876	7.7
55.05512	4.4
57.03444	7.1
58.21650	0.9
60.04511	1.0
60.67027	0.8
61.02927	5.7
67.05499	1.2
68.99780	2.5
69.03430	38.1
69.15333	8.7
70.06595	3.0
71.04988	6.3
73.02927	5.6
79.05499	1.4
80.04976	0.8
81.03421	24.3
81.07068	0.9
83.04994	1.3
83.08630	1.7
84.08157	1.5
85.02908	100.0
86.09698	1.1
87.00832	46.4
91.03925	1.1
91.05450	0.8
93.07058	1.6
95.04970	0.8
97.02897	31.9
98.06068	0.8
98.21536	1.7
98.79688	0.8
99.04448	12.6
105.01868	61.8
105.07050	1.1
108.04472	3.2
109.02888	26.7
109.06464	0.9
109.10104	1.0
110.07143	1.9
111.08043	0.9
115.03933	1.7
117.01849	3.1
120.08135	1.7
121.06528	0.7
124.18765	0.7
127.03921	65.0
129.01848	4.4
131.08710	0.8
136.06158	0.9
141.09067	1.4
145.04965	31.5
147.02867	2.1
151.07526	1.8
159.02896	13.6
169.08472	1.0
187.03932	1.7
189.03935	3.8
191.10684	1.0
209.11755	2.9
213.03880	1.5
220.66255	0.9
230.06436	0.9
231.05020	17.9
249.06113	3.2
295.11758	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	366.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
55.01870	2.7
55.05494	0.9
57.03435	2.8
60.04524	0.8
61.02918	3.8
62.14884	0.8
63.01839	0.8
63.40965	0.8
63.59512	0.8
65.08781	0.8
67.05539	0.8
68.99788	1.7
69.03435	23.5
69.07062	1.2
69.83047	4.4
70.06587	7.2
71.04983	2.3
72.08170	2.4
73.02904	3.3
81.03427	13.7
83.01342	0.9
83.04995	1.1
84.04464	0.8
84.08141	3.3
85.02910	55.8
86.09737	4.1
87.00314	1.5
87.00837	28.3
91.05488	1.1
97.02895	17.2
97.83893	0.8
99.04467	6.6
103.03934	1.1
105.01871	44.4
105.07067	1.1
108.04476	1.1
109.02878	18.2
119.04921	1.0
120.08106	1.7
121.02867	4.3
123.00813	1.1
127.02969	1.7
127.03922	34.7
129.01819	2.2
129.10274	1.0
141.01782	2.3
145.04970	18.5
147.02899	1.0
147.04355	0.9
159.02896	7.2
165.01842	22.5
181.40343	1.0
183.02872	5.3
189.04001	2.3
203.03439	1.4
204.03735	1.6
213.03975	1.7
231.04967	10.5
249.06100	5.4
257.72925	0.8
269.41028	1.0
271.05969	4.0
272.65390	0.8
283.06027	100.0
367.08069	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	365.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	11.3
57.07102	5.6
65.03945	7.3
66.53237	3.6
67.05490	18.3
69.03429	8.6
69.07056	13.4
71.48608	5.2
75.81260	4.3
79.05492	18.9
81.07055	24.2
82.10457	4.5
83.04982	8.8
83.08630	5.9
91.05489	41.2
93.07052	35.5
95.04971	42.5
95.08601	20.0
97.06554	3.8
105.07046	51.0
107.08604	30.7
109.06522	10.2
109.10132	18.9
115.05508	5.0
117.07014	12.1
119.08590	45.0
121.10159	29.8
123.08052	6.4
123.11675	5.3
128.06250	7.4
129.07002	9.3
130.07741	4.4
131.08566	23.9
133.06487	3.7
133.10141	15.5
135.08055	8.5
137.09602	3.9
141.06995	10.9
142.07788	18.7
143.08559	28.0
144.09300	8.4
145.10120	29.7
147.08058	13.8
147.11693	9.3
149.09651	6.0
149.13239	4.5
151.21391	4.1
153.07057	6.4
155.08617	11.6
156.09399	7.9
157.10146	35.7
158.10858	4.4
159.11726	17.9
161.09613	8.5
161.13321	4.3
167.08582	10.1
167.10666	6.1
168.09308	5.3
169.10126	20.5
170.10907	7.3
171.11723	24.4
172.12498	4.1
173.09605	8.9
173.13322	17.8
179.08627	10.8
180.09334	6.9
181.10162	16.3
182.10881	7.6
183.11711	21.6
184.12544	5.3
185.04219	10.1
185.13274	14.0
187.11218	4.1
189.12802	4.1
191.08719	4.0
193.08630	4.2
193.10101	19.7
194.10962	9.0
195.11748	21.8
196.12453	4.8
197.13301	16.0
199.11186	5.5
199.14790	7.3
203.03407	24.1
203.05292	16.5
206.10980	6.4
207.02654	4.2
207.11711	21.3
208.12497	14.9
209.13295	18.9
211.14857	14.1
218.10960	4.3
219.11581	5.8
219.49980	4.2
221.13271	12.8
222.14153	5.1
223.11075	3.8
223.14870	12.4
225.12823	10.9
227.14279	7.9
232.12465	9.4
233.13239	10.9
235.11360	4.8
235.14822	13.5
237.16426	10.4
239.17845	6.5
244.12590	3.8
245.13277	4.3
247.14931	7.0
248.15561	5.3
249.16312	19.4
251.17863	5.5
253.15817	6.1
255.17506	4.3
261.16394	5.2
263.17917	8.7
265.15860	10.7
267.17505	6.7
269.18970	6.0
273.16525	5.0
281.19196	9.9
289.19388	5.2
291.17365	14.8
307.20499	5.2
337.25430	9.2
347.23697	33.6
365.10376	23.6
365.24738	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	365.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58731	3.9
53.03940	7.7
55.05505	12.6
57.03427	7.0
57.07062	5.7
61.02902	4.4
67.05500	31.2
67.10132	3.9
69.03414	5.5
69.07091	17.9
70.40328	12.9
73.40701	3.6
79.05498	33.4
81.07050	42.1
83.04980	6.5
83.08607	5.2
85.06541	6.2
87.15154	3.8
91.05482	42.4
93.07050	49.4
95.04975	32.6
95.08605	29.4
97.06514	10.5
103.05488	5.2
105.07034	54.4
107.08596	35.7
109.06514	7.6
109.10163	23.7
111.08040	3.7
117.07024	13.5
119.08583	47.9
121.09412	5.4
121.10152	40.3
123.08042	5.9
123.11703	5.0
128.06239	4.2
129.06993	14.9
130.07762	6.4
131.08586	38.7
133.10149	22.4
135.08037	12.7
135.11682	12.2
141.06979	7.2
142.07774	14.8
143.08575	30.2
144.09386	6.6
145.10144	38.7
147.08102	6.3
147.11642	14.7
149.09642	7.2
149.13304	6.3
153.07019	4.7
155.08560	14.4
156.09302	13.2
157.10161	35.3
159.11699	24.5
161.09608	12.5
163.11258	5.6
163.98779	8.7
164.98505	4.1
165.07018	7.2
167.08553	10.0
168.09344	9.7
169.10168	18.0
171.11688	21.1
173.09587	7.0
173.13257	33.7
175.11154	10.9
179.08565	12.0
181.10124	17.4
182.10912	9.0
183.11705	28.9
185.09628	5.6
185.13271	16.3
187.11197	6.0
191.14330	21.8
193.10146	17.0
194.10922	8.2
195.11667	17.2
196.12344	5.4
197.09709	4.7
197.13313	18.0
199.11165	9.4
199.14812	9.2
201.12756	11.8
203.03392	9.6
203.14355	6.4
206.10950	10.3
207.11687	19.1
208.12454	6.0
209.13223	11.7
211.14799	14.3
215.14281	5.6
217.10068	4.6
219.11610	7.7
220.12553	5.8
221.13264	18.3
222.13994	6.0
223.14815	12.6
225.12703	6.2
225.16370	8.3
227.14319	5.0
229.15729	3.9
233.13278	7.5
235.14809	8.4
237.16373	5.0
247.14923	5.3
249.16428	12.3
251.14302	4.9
253.15878	8.9
258.13800	4.6
259.14883	4.7
261.16415	5.7
263.17999	10.3
264.18604	4.7
265.15997	7.8
267.17450	6.0
273.22125	11.0
281.18967	7.8
282.19879	4.2
288.67447	3.7
291.17493	5.7
328.88919	4.0
329.22574	4.3
333.15036	3.8
337.25299	5.8
347.23642	29.3
365.10361	6.8
365.24673	100.0
366.25186	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	365.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.9
55.05503	2.4
60.04528	1.2
67.05495	3.7
69.03433	2.7
69.07048	2.2
70.06592	8.4
71.05010	1.2
71.33042	1.3
72.08184	5.1
72.08497	1.0
81.03404	1.7
81.07048	2.5
83.04977	1.0
84.04514	2.4
84.08150	5.0
85.02914	1.8
86.09695	5.2
91.05495	3.2
93.07042	2.7
95.04972	2.1
95.08614	2.8
97.06563	1.1
103.05408	1.2
103.10545	0.9
105.07038	2.9
107.08574	1.7
109.10172	1.7
110.06051	1.2
110.07160	1.4
119.08566	2.0
120.08094	4.7
121.02869	1.4
121.10162	1.8
122.06063	2.6
123.08103	1.1
129.10225	1.8
135.11717	1.1
136.07597	1.9
138.05553	3.3
138.09155	2.1
139.07564	1.1
140.07080	2.0
145.10170	1.3
147.04449	3.0
147.08067	1.7
148.03932	2.1
148.07553	5.9
158.06082	1.1
160.07614	1.7
161.05991	2.1
161.07179	1.4
161.09630	1.2
161.10837	1.2
163.03917	1.9
166.04985	6.0
168.06601	2.6
171.07892	1.1
171.09210	2.1
172.07556	3.5
174.09151	3.8
175.08693	7.3
176.07056	9.4
176.09430	1.8
177.05476	1.8
178.08701	1.9
185.07220	1.9
185.10709	1.3
189.10226	5.5
190.08638	1.9
191.08385	1.1
196.07611	2.3
198.07724	1.8
198.09349	1.2
199.08682	10.8
200.07065	5.2
201.10175	1.2
202.08723	2.5
203.03473	13.4
203.05295	2.4
203.08167	25.1
204.06567	2.7
207.11317	1.4
213.10277	5.6
214.08653	2.7
216.10297	1.7
217.06267	2.0
217.09830	17.9
218.08177	2.0
227.08217	17.3
228.06543	2.5
229.09875	1.4
231.07784	2.4
231.11359	1.5
234.96797	1.2
235.10835	4.9
241.09714	12.2
242.08153	6.2
243.46921	1.1
244.09921	1.3
245.09262	50.9
246.07645	1.5
247.10870	2.9
248.98499	1.2
259.10785	13.4
263.10284	30.5
269.09265	4.0
270.07697	2.4
271.10867	1.6
272.09482	1.0
273.08734	4.3
287.10239	23.9
289.11908	2.9
291.09726	8.6
297.08740	1.7
302.54108	1.2
302.99390	1.3
305.11334	98.1
306.11771	2.3
315.09842	4.1
323.12366	31.5
333.07254	2.3
333.10849	23.3
333.14035	1.1
337.07050	1.2
347.12311	1.7
365.06290	4.6
365.13498	100.0
366.13983	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30418	0.7
56.23035	0.8
60.58456	0.7
69.57408	4.2
99.70346	0.8
101.00906	3.9
113.39401	0.8
119.01914	1.1
126.85307	0.7
127.02435	0.8
135.73421	0.8
143.01901	3.1
155.01936	1.0
157.03453	0.9
161.02992	2.0
169.03493	1.1
173.02962	1.6
185.03012	1.8
185.04251	24.4
203.05276	50.1
245.05107	6.2
249.99237	0.9
365.10599	100.0
366.11002	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1057
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22742	0.4
55.36152	0.6
66.08049	0.4
69.83141	1.5
69.83541	1.2
73.14520	0.4
85.88425	0.4
101.42676	0.5
185.04231	25.2
203.05281	51.0
245.05035	0.7
284.91083	0.5
345.59482	0.5
365.10574	100.0
366.10968	1.4
380.28018	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.087
Annotation	Bergaptol-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01862	0.1
60.09692	0.1
65.12474	0.1
68.72039	0.2
69.03434	0.3
70.30987	0.4
71.04996	0.2
72.08163	0.2
81.03369	0.2
81.06997	0.1
84.91890	0.1
85.02908	0.7
91.05486	1.9
94.42554	0.2
97.02876	0.6
103.05493	0.8
119.04973	0.9
120.08072	0.2
121.09590	0.1
122.22694	0.1
127.03956	0.2
131.04941	5.2
140.25348	0.2
147.04417	14.3
159.04427	4.5
159.05573	0.1
175.03922	1.0
198.42212	0.1
203.03403	100.0
204.03728	1.6
220.37979	0.2
227.08083	0.2
241.09799	0.3
245.09221	0.5
263.10239	0.2
269.09357	0.2
287.10321	0.5
305.11353	1.0
315.09677	0.5
323.12357	0.3
333.10861	1.0
347.12402	0.2
365.08664	0.8
365.13416	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0867
Annotation	Bergaptol-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
54.51182	0.3
55.05517	0.3
56.96542	0.3
69.03414	0.7
69.69637	1.2
81.07076	0.5
82.51270	0.2
85.02898	1.1
91.05484	2.6
93.07016	0.3
95.04973	0.5
97.02887	0.5
103.05462	1.1
107.08588	0.4
119.04938	1.2
119.08551	0.4
125.09682	0.3
129.72589	0.3
130.06480	0.4
131.04942	5.3
133.10147	0.4
142.95459	0.3
147.04419	13.2
159.04419	5.2
171.04471	1.6
175.03917	1.0
185.04143	0.3
187.03894	0.4
199.04019	0.9
203.03409	100.0
204.03712	1.8
215.03424	3.5
216.04124	0.6
227.03380	0.6
229.05014	0.4
241.04950	0.4
245.04472	7.6
255.06558	0.4
269.04446	1.6
299.05539	0.4
311.05063	0.3
329.06506	0.7
347.07669	0.6
365.08951	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0846
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	2.1
57.03415	1.6
64.10616	1.2
69.03406	3.2
70.06567	5.3
71.48332	1.6
72.08163	10.6
79.05457	2.1
84.04478	3.3
84.08106	5.4
85.02882	3.4
86.09679	3.5
91.05435	1.9
98.97549	2.7
110.07096	1.7
116.01555	2.4
119.04926	3.2
120.08036	3.9
127.03907	2.8
129.10172	3.8
131.01851	3.3
147.04410	6.7
151.03845	1.6
159.04143	1.9
163.03879	2.9
168.95837	1.3
185.02841	1.8
185.04237	20.6
187.03943	1.6
202.10588	2.1
203.01451	1.9
203.03116	24.5
203.05170	11.0
211.04926	1.3
216.06076	1.6
221.02858	3.6
239.03970	7.6
263.03842	5.0
263.06396	1.6
275.03848	5.3
277.05496	1.8
347.05753	1.8
358.89188	1.4
365.08200	100.0
365.20776	6.8
366.08606	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.0
55.01865	1.8
55.05275	2.2
55.05517	26.6
57.07068	2.5
57.46156	1.0
60.08159	3.7
65.03941	3.4
67.05511	66.6
69.06736	1.7
69.07077	23.5
69.79334	6.5
71.05001	3.6
73.02937	2.3
79.05500	43.3
81.07066	51.9
83.04969	1.6
83.08626	9.1
85.06548	1.9
86.09707	2.7
91.05489	17.5
93.00954	1.2
93.07056	47.2
95.01315	1.5
95.04967	3.5
95.08617	36.2
97.06509	2.4
97.10170	4.5
98.21474	1.5
99.04476	2.3
105.07059	9.8
107.08601	25.0
109.06516	2.2
109.10165	11.0
117.07037	1.7
118.22727	1.2
119.08603	6.2
121.10169	19.5
123.08057	1.6
123.11736	3.2
123.35872	1.1
131.08603	2.8
133.10132	4.5
135.11766	6.0
135.12593	1.2
145.10188	2.6
147.11708	2.2
149.13261	3.4
159.11794	1.1
161.13271	2.3
163.14740	1.2
203.03563	1.4
305.24768	89.3
306.25015	1.4
364.32123	100.0
365.10425	1.7
365.32407	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	363.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.7
55.05271	0.6
55.05516	7.5
57.06832	0.6
57.07078	5.9
59.04978	0.5
67.05510	7.2
69.03432	0.5
69.07075	14.9
69.79456	2.1
70.22806	0.5
71.08620	2.1
79.05496	4.3
81.07060	8.4
83.04991	2.5
83.08623	5.5
85.06544	1.0
85.10172	1.1
89.06029	1.1
91.05487	3.5
93.07056	9.3
95.08613	8.5
97.06560	0.8
97.10159	0.6
99.08131	0.4
105.07047	5.6
107.08602	15.4
109.06532	2.9
109.10152	4.2
111.08102	0.8
119.07807	0.8
119.08585	9.7
121.06532	3.4
121.10152	8.5
123.08078	8.5
123.11694	2.1
125.09669	0.5
128.59830	0.5
131.08542	2.3
133.10130	10.0
135.08067	10.8
135.11697	6.2
136.08830	2.1
137.09618	1.4
137.13213	0.8
142.38910	0.5
143.85518	0.5
145.10121	3.3
147.11681	3.2
149.09625	5.7
149.13260	2.2
151.14838	0.7
159.11740	3.0
161.09662	0.6
161.13229	2.5
163.11197	1.0
163.14870	3.3
165.12769	1.0
173.13223	1.6
175.11237	0.5
175.14839	3.6
175.62434	0.6
177.12785	2.0
177.16368	1.5
179.14348	10.1
181.87030	0.4
183.13800	0.5
189.16406	1.7
191.14326	8.1
201.16376	0.6
203.17961	2.6
205.15892	1.6
209.01323	0.5
219.17464	1.2
229.19785	0.7
233.19061	0.6
247.20628	0.8
261.22052	0.7
275.20166	1.7
275.27362	2.0
285.25854	1.0
289.21683	0.8
303.26837	12.8
304.27271	0.5
313.25366	1.0
331.26331	100.0
332.26703	2.6
340.64850	0.6
363.28922	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	363.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.4
55.01843	1.3
55.05511	6.6
55.41195	1.1
57.07091	8.7
67.05508	10.3
69.03413	1.5
69.07069	10.0
70.10080	3.3
71.08649	5.6
79.05487	5.4
81.07055	11.9
83.04980	1.6
83.08598	3.3
85.06498	1.2
85.10173	2.7
89.06035	6.3
91.05473	5.6
93.07050	10.3
95.08614	15.7
97.10189	1.8
105.07035	7.1
107.08592	14.5
109.06524	3.9
109.10173	6.3
112.65846	1.4
117.07016	1.8
119.08595	14.7
121.06512	2.3
121.10143	9.4
123.08076	14.1
123.11701	3.0
131.08585	3.8
133.08569	2.6
133.10156	9.9
135.08070	7.3
135.11674	6.5
136.08842	1.8
137.09601	5.5
137.13260	4.0
145.10112	3.4
147.11707	3.3
149.09615	4.5
149.13258	2.5
154.95502	1.1
157.10185	1.6
159.11697	3.4
161.13324	2.7
163.11270	2.1
163.14830	3.5
165.12770	3.2
173.13304	2.0
175.14825	3.1
176.46312	1.0
177.12749	2.1
179.14316	8.8
180.43512	1.1
187.79872	1.1
191.14322	6.0
195.12219	2.8
275.20071	1.5
303.26797	23.9
313.25262	1.7
331.26334	100.0
332.26514	1.9
363.16199	1.6
363.29013	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	363.2895
Annotation	2'(R)-Hydroxylanneaquinol
Peak:m/z	Relative Intensity
51.24752	0.6
53.54992	0.6
55.01879	1.0
55.05309	0.5
55.05515	6.3
57.07075	2.1
67.05509	9.2
69.07074	13.8
71.04983	1.9
71.08636	1.3
71.21963	0.9
79.05500	4.4
81.07061	13.0
83.08619	4.5
85.06541	1.4
90.93556	0.7
91.05501	3.2
93.07063	6.6
95.04964	1.1
95.08610	9.2
97.06535	2.6
97.10150	1.2
97.34053	0.7
98.29595	0.8
99.08095	1.3
105.07052	4.0
107.08595	6.7
109.06524	12.8
109.10155	4.8
111.08095	2.1
119.08589	4.9
121.06501	0.8
121.10174	3.6
123.08074	70.0
123.11704	2.8
124.08413	1.2
126.86837	0.6
131.08554	1.5
133.10135	3.6
135.08054	5.7
135.11682	1.4
137.09641	3.6
137.13268	1.7
145.10130	1.6
147.11681	3.5
149.09598	2.0
149.13266	2.5
151.11154	0.7
159.11729	1.3
161.13275	1.4
165.12767	0.8
167.14342	1.1
177.12741	1.3
179.14322	16.5
233.18958	1.0
263.20276	0.8
271.18127	0.7
275.20087	0.9
289.21704	0.9
289.25104	1.1
295.22656	0.9
303.27066	0.7
307.22668	9.2
311.85590	0.7
321.24365	0.9
331.26346	5.4
345.27896	0.8
363.28949	100.0
364.29391	2.1
383.89890	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
59.34787	0.5
67.05503	0.4
70.06588	0.4
70.73949	0.9
75.86803	0.5
81.07047	1.3
91.05484	1.5
93.07040	0.8
105.07058	0.5
107.08627	0.4
115.05461	1.2
117.05721	0.9
117.07024	1.7
118.06546	31.1
121.10172	0.5
125.09645	0.5
132.08090	2.9
133.08865	1.1
135.11696	0.5
142.06511	2.0
143.07339	2.6
144.08090	9.2
146.06017	44.8
146.09618	2.4
160.07544	0.6
161.55119	0.4
170.06003	3.3
171.57832	0.4
176.14352	100.0
177.14674	1.7
188.07074	27.8
216.13979	0.8
234.14883	1.7
363.20642	18.0
364.21136	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39351	0.6
53.03933	1.1
54.79786	0.7
55.01860	1.0
55.05489	1.6
61.51256	0.6
67.05478	2.0
69.03397	1.5
69.07040	2.2
70.06583	1.2
71.48989	1.0
72.08133	1.3
79.05499	14.9
81.03420	8.1
81.07031	2.1
83.04997	1.1
84.08125	1.0
85.02857	0.8
86.09691	1.3
88.99663	0.6
91.05492	5.1
93.07032	3.0
95.04958	6.0
95.08595	1.6
95.11858	0.7
97.06492	1.8
98.01171	0.6
98.97571	0.7
105.07005	4.7
107.04919	0.9
107.07976	0.9
107.08595	9.9
109.02877	1.5
109.06532	0.8
109.10162	0.8
117.06979	1.7
119.08587	3.5
120.08077	1.0
121.02837	2.6
121.06515	5.2
125.09584	0.8
128.06238	1.4
129.07008	2.1
131.04962	0.9
131.08551	3.1
132.95865	1.1
133.06451	1.2
133.10124	6.0
136.07555	0.9
137.05952	1.8
143.08575	4.4
143.18797	0.8
145.06445	2.2
145.10094	3.0
147.04408	0.8
147.08041	1.5
149.05952	2.6
151.07545	1.3
157.10114	2.8
159.08073	4.8
159.11632	2.0
161.05994	13.7
161.09625	20.5
162.52548	0.7
167.07140	0.8
167.08571	3.1
169.10068	1.6
169.33818	0.7
171.08017	1.8
173.09610	1.2
175.07602	1.2
177.09125	1.1
179.08403	0.7
181.10101	1.4
183.08081	1.2
183.11623	0.9
185.09607	4.9
187.07660	0.8
187.11154	1.3
192.09303	0.8
193.10172	0.8
195.08182	0.7
197.13264	1.4
203.10532	1.2
207.11679	2.0
209.09474	1.3
211.11139	1.7
220.08807	0.8
225.12759	4.1
227.14296	1.0
235.11162	4.4
237.12761	2.4
238.82062	0.6
249.11194	5.5
253.12209	6.8
255.13661	1.3
271.13281	13.5
281.11819	4.6
291.10382	0.7
295.11877	1.0
299.12787	18.1
300.13077	0.9
317.13843	100.0
318.14166	2.8
345.13516	2.1
362.15982	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	361.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07706	2.1
53.03940	9.2
55.01868	6.5
55.05489	3.7
57.07079	2.9
65.03951	4.6
67.05495	6.7
69.03419	8.8
69.07057	4.0
69.88982	2.3
70.06592	6.5
70.51324	8.1
72.08143	7.7
74.06060	8.2
79.05489	20.3
81.03415	6.5
81.07055	9.1
83.05001	4.5
84.08157	5.2
85.02922	3.4
85.06534	6.7
86.09695	10.6
91.05481	36.0
93.07048	22.7
95.04963	16.1
95.08595	11.1
97.06554	4.1
99.04425	3.6
103.05468	14.6
105.07051	19.2
107.04957	36.1
107.08583	8.0
109.02887	3.3
109.06523	4.5
109.10188	2.8
111.08078	4.6
115.05462	6.9
116.06232	4.2
117.07066	13.4
118.04123	4.0
119.04939	9.1
119.08607	9.2
120.05726	3.3
120.08056	3.5
121.06527	28.6
121.10127	5.5
122.03634	3.0
123.04433	11.5
124.05215	6.4
125.05989	4.3
125.09575	4.5
127.03862	3.2
128.06224	11.3
129.07010	33.8
129.10211	3.7
131.04916	11.1
131.08586	16.1
133.02859	10.8
133.06487	5.7
133.10123	2.9
135.04385	3.1
135.08047	9.4
135.11661	3.4
137.05989	26.8
138.02948	2.7
141.07004	3.4
143.04930	3.0
143.08586	3.9
145.06477	7.1
145.10150	4.5
146.07246	2.6
147.04411	9.6
147.11671	2.4
148.05164	3.9
149.05978	14.5
149.09601	4.1
150.06804	3.2
151.03941	10.1
151.07558	23.8
152.06189	3.3
153.05461	17.4
153.06749	3.6
154.07738	2.8
157.06522	23.2
157.10034	2.5
159.08022	5.6
161.05981	43.8
161.09618	15.5
161.13148	2.3
163.07535	24.8
165.05472	8.2
165.06990	7.7
165.09146	12.3
166.06258	11.3
166.07628	4.7
167.07062	74.1
167.08459	6.0
174.06764	11.3
175.07549	11.0
177.06999	3.9
177.09131	10.6
178.07784	3.3
179.07039	6.7
179.08536	7.9
181.05074	3.6
181.06578	6.6
181.08604	100.0
182.07280	8.6
183.08083	3.1
189.09119	84.8
190.07782	4.1
191.08517	6.6
191.10457	3.3
193.06493	3.2
194.07309	6.2
195.08029	12.2
195.09862	3.9
197.06085	4.1
197.09628	12.6
199.07454	4.0
203.10652	4.1
207.08203	5.9
207.10194	16.2
208.08804	7.8
209.06128	4.6
209.09599	3.2
210.06726	5.3
211.07484	7.7
212.08369	3.1
213.09140	3.9
219.08064	5.9
221.05997	6.2
222.06708	3.7
223.07637	11.7
223.11224	6.0
225.09135	17.1
227.07037	5.3
235.07375	3.5
239.06978	6.6
240.07758	5.7
241.08540	5.0
247.07556	3.1
251.06822	4.1
251.10736	7.2
253.08618	17.2
255.06548	5.8
255.10182	6.2
257.08069	4.7
257.11755	22.6
263.06891	3.1
265.08551	5.9
267.06412	3.5
267.10028	3.9
268.07397	3.9
268.10617	3.4
269.08127	4.3
270.08868	4.2
271.13156	4.3
279.10117	7.6
283.09735	11.6
283.13315	9.3
285.11227	37.0
290.20950	2.7
297.11185	5.2
299.09268	6.4
299.12732	5.7
302.11526	5.2
303.94250	2.8
311.12628	8.3
315.12305	21.6
317.13791	24.5
331.15570	2.9
336.89542	2.3
343.15543	13.7
361.06888	5.6
361.16791	15.0
361.20309	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	361.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59533	1.0
51.63874	0.9
52.02256	1.0
53.03937	3.6
53.04351	1.2
55.01865	3.9
55.05270	1.7
55.05515	22.9
57.03443	11.7
58.10369	1.1
59.05007	2.9
60.04509	2.6
65.03931	2.0
67.05511	18.1
68.99784	2.5
69.03432	75.3
69.07063	2.8
70.06594	7.2
70.74009	2.4
70.74388	2.6
71.01337	4.6
71.04995	13.4
72.08144	4.6
73.02919	3.0
79.05483	5.3
81.03421	6.0
81.07053	3.6
83.04986	100.0
84.08134	6.9
85.02908	28.1
85.06541	3.4
86.09710	8.6
87.00819	7.1
87.04456	3.0
87.10020	2.2
91.05489	6.2
93.07055	1.9
95.04971	43.3
95.08600	2.3
97.02896	6.3
97.06524	5.0
99.04457	27.0
101.06002	3.2
103.05468	2.3
105.07031	3.0
106.05029	1.2
107.04974	6.2
107.08600	2.2
109.02877	4.3
109.06508	4.2
110.02397	1.6
111.04448	58.1
111.05223	2.8
111.08080	1.6
112.04003	1.1
113.06009	44.4
115.05451	2.5
117.03385	1.2
117.05511	1.6
117.06985	1.4
118.06519	1.8
119.04903	1.8
119.08514	1.2
120.08073	3.1
121.02861	2.1
121.06509	4.9
123.04408	3.7
123.08051	2.3
125.05989	4.7
127.03887	7.2
127.12562	1.2
129.05487	8.6
129.10216	2.5
131.04907	1.1
131.08617	1.4
132.85486	1.3
133.06464	3.1
135.04384	2.7
135.08090	1.5
135.34694	1.1
136.07596	1.9
137.02374	1.5
137.05972	6.0
139.03902	3.3
141.05460	3.4
142.06636	1.2
145.04973	2.2
145.06464	2.2
146.06033	2.6
147.04324	1.3
147.08084	1.6
149.05948	3.1
151.07599	5.9
152.07085	1.5
153.05489	14.5
153.06680	2.1
157.04970	30.3
159.06552	4.2
161.06006	3.3
163.07535	3.0
165.05438	3.1
165.09155	1.3
167.07019	4.0
171.06622	1.3
175.06075	1.8
175.07539	2.2
177.05443	3.6
179.07042	4.2
181.08702	1.7
183.06514	1.6
186.03192	6.0
187.06053	1.2
189.09140	3.1
193.08615	2.3
195.06569	1.8
197.06122	2.4
199.07613	1.3
201.05475	10.6
203.05492	4.8
207.10251	1.3
211.09589	1.3
212.04794	1.5
215.03365	3.1
215.05293	1.5
217.04984	4.2
226.02559	1.5
228.04117	1.9
229.04973	63.0
230.05342	1.2
231.05005	1.5
239.03377	1.7
239.09105	11.4
240.04057	2.2
241.05167	1.1
243.06537	8.4
248.13039	1.4
252.04234	1.2
255.06444	2.0
257.10281	2.9
259.05978	10.1
265.05096	1.3
268.03659	2.3
273.12225	1.9
283.05963	8.7
295.06033	2.3
301.06949	1.9
315.04938	1.6
325.06711	5.4
343.09988	4.0
361.07071	2.1
361.10794	2.8
361.14749	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1106
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	2.0
59.21340	0.9
69.03424	1.6
70.06588	8.3
70.96983	0.9
70.97329	1.5
72.08164	13.4
74.06080	1.9
76.36629	0.8
79.05444	1.1
81.03391	1.0
84.04498	1.9
84.08144	6.0
84.10189	0.9
85.02902	2.9
86.09704	11.8
87.10038	1.3
88.03992	1.3
91.05495	1.1
97.02900	1.0
98.97585	1.8
99.04388	1.0
101.07151	1.1
103.60869	0.8
107.08518	1.0
110.97618	1.1
113.02349	1.1
113.05817	1.5
116.07034	0.9
120.08091	1.0
123.04414	3.9
127.03931	1.3
129.10208	4.8
133.02856	4.2
135.08069	1.1
137.05992	1.2
143.01875	1.4
157.03423	1.1
161.02335	2.1
163.03897	2.8
165.05466	1.8
183.06471	2.1
183.08003	1.4
205.11885	1.1
207.08003	3.6
211.07619	1.3
219.77626	0.9
235.07506	5.1
239.07042	3.7
244.96063	3.0
252.10187	3.6
257.09967	1.1
262.97055	4.4
270.97549	1.1
275.11127	6.7
277.13141	1.0
281.08093	2.8
288.98752	1.8
293.10712	2.0
297.12460	2.2
298.10825	3.7
299.10962	1.9
315.13223	1.3
317.12070	37.0
343.08328	0.9
343.13028	3.0
361.11023	100.0
361.14389	4.0
362.11444	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26834	2.3
50.56385	2.3
55.05490	2.7
57.07081	85.6
58.07543	2.4
58.99595	12.3
67.05513	2.8
69.07055	5.2
69.86028	6.9
70.06577	3.2
74.00654	2.4
76.02235	45.6
79.05470	3.3
81.07054	7.0
83.04978	6.5
83.84814	2.3
85.02855	2.3
85.06550	83.0
86.09673	1.9
87.00831	5.3
91.05467	2.9
93.07064	17.5
95.08616	7.2
97.06539	60.8
97.65157	2.5
98.00669	4.1
100.02216	13.5
101.00642	5.3
102.00147	11.3
107.08590	8.4
109.06508	5.2
109.10166	2.9
111.08076	4.6
113.16177	2.2
117.00052	2.7
117.48452	2.3
122.02699	6.2
127.05780	24.9
135.11708	9.7
144.01149	31.8
148.00662	7.1
151.11287	4.0
153.12759	28.5
153.82303	2.4
161.43669	2.1
162.02214	100.0
174.03969	5.4
190.01727	30.9
208.02766	36.2
378.97815	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	359.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	18.7
57.07079	95.9
61.38455	5.2
67.05505	34.4
68.77802	5.1
69.07054	13.6
70.06586	16.4
70.53285	6.0
71.08635	73.5
71.48560	6.3
81.07063	42.5
83.08611	24.3
83.85791	5.8
84.72755	6.3
85.10194	40.9
88.07625	14.3
95.08617	55.9
97.10183	25.2
103.40922	5.3
109.10148	30.0
110.09982	6.7
111.11732	9.0
123.11686	13.0
161.09824	5.7
179.61246	5.5
267.26840	14.6
341.30487	61.9
359.37164	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.129
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99786	7.5
69.03443	4.1
70.06593	5.6
70.87679	5.5
72.08147	3.7
83.00280	3.0
84.08165	8.0
85.02905	11.8
86.09710	13.7
91.05496	13.6
97.02876	4.3
102.64036	2.3
104.09046	2.3
107.04955	21.6
111.04499	4.7
111.80419	2.3
119.04942	24.5
120.46707	3.2
127.52293	2.4
129.10258	3.7
135.04451	6.2
137.06050	6.1
139.03905	60.5
147.35269	2.6
163.03912	100.0
177.59087	2.4
181.04968	92.1
181.06560	4.9
198.07639	3.0
331.96091	2.9
361.11096	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.3157
Annotation	AKD 2A
Peak:m/z	Relative Intensity
55.05499	10.2
55.08437	2.3
57.03431	7.7
57.07080	100.0
67.05512	27.6
69.07069	20.7
69.77514	3.7
69.77906	7.4
71.08640	72.9
79.05502	3.7
81.07066	40.7
83.08624	22.7
85.09741	3.0
85.10192	41.4
93.07048	4.3
94.16320	2.2
95.08615	52.3
97.10174	25.0
99.11703	3.5
105.03748	4.6
106.08652	2.2
109.10159	27.9
111.11713	10.0
116.82106	2.1
119.61721	2.4
122.55136	2.4
123.11747	12.4
125.13258	2.7
127.59186	2.3
137.13264	7.7
147.61877	2.1
153.97382	2.1
194.86649	2.3
249.25832	2.8
267.27017	12.4
284.96704	2.2
285.27808	8.6
296.29495	10.4
341.30536	60.3
359.37131	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	359.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47163	2.6
55.05507	7.3
56.96982	2.6
57.03422	5.7
57.07078	60.5
59.00795	3.0
62.42200	2.7
66.82227	3.3
66.95775	3.2
67.05514	17.0
69.07067	15.5
71.08635	36.8
71.48598	5.2
81.07061	26.8
83.08609	12.6
84.87724	2.8
85.10173	19.1
88.07617	3.0
95.08609	36.4
97.10153	11.2
107.08577	3.8
109.10143	14.3
111.11696	5.3
113.48434	2.7
123.11716	6.1
134.79166	3.2
135.05589	2.9
174.27632	3.0
192.97881	3.4
194.99594	10.6
197.01166	21.6
209.01192	8.0
210.99153	6.7
211.02718	56.7
213.00679	48.4
214.98582	4.7
227.02216	99.1
228.02312	5.6
228.97968	6.5
229.00163	100.0
247.01248	18.6
279.09073	4.0
285.27850	3.7
295.08429	9.2
341.30505	28.1
351.38632	3.4
357.14761	3.7
359.18857	75.7
359.33084	4.6
359.37100	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	359.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.7
55.01847	5.9
55.05513	35.7
57.07065	6.3
61.01155	5.7
63.80445	4.3
65.03931	6.0
67.05499	32.3
69.07070	41.9
70.06598	6.0
70.61182	8.0
70.61526	10.5
71.04979	5.4
72.08159	6.7
79.05495	12.8
81.03415	4.7
81.07057	100.0
83.04986	8.1
83.08616	15.6
84.08170	8.6
84.81658	4.4
85.06542	17.2
86.09691	11.4
86.65625	4.2
91.05484	19.9
93.07053	42.5
95.04941	5.1
95.08614	68.9
97.06538	12.1
97.10183	9.8
99.08105	10.6
101.06020	8.5
105.07028	11.8
107.05032	6.6
107.08594	52.7
109.06535	7.3
109.10161	41.6
111.04488	8.6
111.08089	20.8
111.11721	8.5
119.08599	11.9
121.10148	26.7
123.11709	54.8
131.08582	5.6
133.10133	10.2
135.08090	5.3
135.11697	14.9
137.06001	11.4
137.09602	9.6
137.13274	13.8
139.11214	15.3
147.11633	9.8
149.13283	37.4
153.12750	7.8
157.12285	10.5
161.05916	5.7
163.14824	5.4
165.09114	7.4
167.07033	6.5
169.12187	7.2
173.13350	7.9
175.14961	5.9
187.13306	9.3
222.75340	5.5
277.25464	5.4
293.24820	8.3
305.24667	24.0
309.11346	6.9
313.10925	9.2
313.14432	5.1
323.25711	12.8
342.11057	4.9
359.14951	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	23.3
57.07061	7.1
63.06438	4.2
67.05505	27.6
69.07072	47.1
70.33472	4.4
70.61270	14.2
77.93367	3.8
79.05486	18.5
79.82663	4.5
80.89101	4.0
81.07059	100.0
83.08623	5.9
85.06547	14.4
91.05479	10.1
91.88246	3.9
93.07044	38.7
95.04979	5.6
95.08611	86.5
97.06519	10.0
97.10172	19.4
103.05487	11.2
105.07041	12.9
107.08585	47.4
109.10146	28.5
111.08110	27.4
111.11724	5.1
119.08593	15.0
121.10148	31.4
123.11710	60.0
131.04953	10.3
133.10194	8.1
135.11714	12.0
135.57251	4.4
137.05949	7.0
137.13254	18.5
139.11182	13.6
141.12804	5.8
143.10735	4.4
147.11670	15.3
149.13264	40.1
151.11234	6.3
153.12799	7.5
157.12183	9.0
163.14807	12.6
187.13324	10.0
203.32373	4.4
293.24780	7.9
305.24689	39.1
323.25867	9.4
359.15094	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1702
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
53.03936	0.8
55.01867	0.7
55.05506	1.7
57.03430	1.5
59.13324	0.5
61.02913	1.5
67.05502	1.1
69.03431	3.5
69.07054	1.0
70.06592	1.6
71.04976	0.9
71.48785	0.5
71.49181	0.9
72.08143	0.7
73.02929	0.9
79.05479	2.5
81.03432	0.9
81.07056	2.8
83.05010	0.7
84.08128	1.3
85.02428	0.9
85.02905	8.7
86.09708	16.3
87.04444	0.5
91.05495	4.5
93.07038	5.2
95.04988	0.8
95.08607	1.2
97.02889	2.0
99.04455	0.9
105.07035	7.1
107.08598	33.8
109.02880	1.0
109.06492	1.5
109.10143	1.8
117.07012	0.9
119.04918	0.9
119.08585	5.8
121.06493	0.8
121.10155	6.0
123.04446	0.5
123.08049	1.0
123.11697	1.0
127.03925	1.2
129.10202	1.0
131.08575	1.2
132.05563	0.5
133.06438	0.6
133.09119	1.0
133.10136	20.4
134.10452	0.7
135.11777	1.0
137.06004	2.2
137.09572	1.1
138.09186	0.6
139.07526	1.2
141.10240	0.6
143.08569	1.4
145.05002	0.9
149.09579	4.0
151.03926	1.2
151.07539	1.3
151.11182	7.1
153.34677	0.5
155.11818	0.7
161.09610	6.2
167.10698	12.7
171.11415	0.9
179.03378	1.1
179.10692	15.0
181.04965	0.7
183.11333	0.8
197.11742	100.0
198.12041	1.0
200.13972	4.5
228.13496	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1321
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30959	0.7
53.03947	0.9
53.21953	0.7
55.05514	15.5
56.05038	1.4
57.53382	0.7
67.05502	2.2
69.07077	1.4
69.53596	5.3
70.06592	0.8
76.02228	3.8
79.05518	0.9
81.07057	5.5
83.04987	100.0
84.04510	21.8
84.05290	0.9
86.09721	0.9
91.05489	2.1
93.07055	3.2
95.04984	1.7
95.08621	1.7
97.10153	0.8
99.56918	0.8
102.05559	5.5
105.07060	2.8
107.08612	1.1
109.06536	5.2
109.10173	1.1
119.08585	1.2
121.10135	1.5
123.11729	2.6
123.57590	0.6
127.05788	8.2
130.05020	10.9
144.01187	3.2
147.11708	2.8
148.06071	2.4
151.11183	5.7
162.02191	9.2
163.82773	0.9
164.14403	1.1
165.12827	1.9
174.04077	1.2
177.56660	0.7
190.01721	3.9
193.12318	0.9
210.15044	0.7
229.14420	0.9
242.81439	0.7
259.37186	0.9
294.17114	1.6
340.17508	0.8
359.15213	0.9
369.46796	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.3002
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
53.03944	5.0
55.01871	4.5
55.05514	65.9
57.03430	14.2
57.07085	48.5
67.05511	73.8
69.07075	100.0
69.54774	29.3
70.06588	11.4
71.08643	26.0
78.42130	3.5
79.05508	47.3
81.07059	86.5
83.04977	4.8
83.08627	72.6
85.06508	3.5
85.10181	12.5
87.04472	12.3
88.07623	11.5
91.05492	6.7
93.07049	65.7
95.08617	92.1
97.06532	32.0
97.10185	50.6
99.08060	4.4
106.08669	6.8
107.08597	55.3
109.10168	41.9
111.08114	20.5
111.11721	14.9
121.10158	94.2
123.11703	17.6
125.09644	9.5
135.11697	83.9
137.13284	7.6
139.11180	4.4
149.13281	32.2
151.14842	12.1
163.14830	9.6
165.16393	8.4
177.16385	9.3
191.17912	7.2
246.68863	3.8
247.24237	78.3
258.95020	3.8
265.25281	73.7
295.63742	4.7
307.74695	4.1
319.72287	3.9
339.28909	46.4
339.32739	4.7
339.34570	4.6
352.86383	4.0
356.14767	4.0
357.25830	9.2
357.31027	7.4
357.35593	87.9
358.36713	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	357.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.9
55.05279	4.1
55.05516	61.8
55.25692	2.2
56.61054	2.5
57.03426	8.4
57.07085	31.9
65.03924	2.9
67.05508	62.8
69.07072	76.0
69.91212	12.6
70.06581	8.7
71.04975	2.6
71.06942	2.9
71.08636	16.9
75.04482	2.8
79.05501	44.3
81.07059	67.4
83.04998	3.0
83.08159	3.3
83.08627	51.9
85.06535	3.6
85.10166	11.0
88.07658	14.8
89.07965	3.4
91.05463	8.2
93.07052	46.9
95.08616	66.5
97.06536	20.7
97.10179	33.0
102.09163	3.6
104.03420	2.4
105.07039	3.3
106.08652	6.8
107.08596	34.3
109.10164	37.4
111.08076	8.2
111.11707	11.2
119.08602	4.6
121.10159	70.7
123.11713	13.4
125.09618	6.2
125.13300	4.4
129.05536	3.1
133.10101	3.5
135.11702	47.3
137.13275	6.2
139.11162	5.1
149.13274	22.8
149.26047	2.4
151.14839	5.8
153.12712	4.0
158.07988	3.0
163.14836	12.2
165.16394	6.0
177.16389	8.2
181.15831	2.8
191.18002	4.7
195.17342	2.7
205.19629	2.7
230.08794	2.6
247.24232	53.1
265.25293	50.3
267.36487	2.2
339.29041	33.1
339.34485	4.5
357.23969	2.9
357.30771	5.7
357.35559	100.0
365.46228	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	357.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
54.26151	0.6
55.05511	1.0
56.96566	1.0
67.05492	1.1
69.03413	2.3
69.07075	15.6
70.06587	0.7
79.05495	1.2
81.03429	3.3
81.07059	5.4
83.08669	0.7
84.08157	1.2
86.09663	0.7
91.05480	3.0
92.19581	0.7
93.07047	1.0
95.08614	1.6
97.02910	1.0
98.21537	1.5
98.97611	1.2
99.04456	2.8
103.05467	1.4
105.07036	1.8
107.04980	0.9
107.08576	1.2
109.02893	6.9
119.04948	2.3
121.02887	0.9
121.10175	0.7
127.03902	3.9
131.04053	0.7
131.04958	7.9
133.06378	0.8
139.03853	0.6
145.10133	0.7
147.04422	16.9
149.02376	1.9
153.01842	2.3
159.04416	6.2
160.96771	0.7
165.01888	1.8
175.03905	2.6
183.02980	1.3
197.05679	0.6
200.08730	0.6
203.03407	100.0
203.63864	0.8
204.03775	1.0
215.03360	1.1
227.07068	0.9
243.06438	1.2
255.06516	2.1
268.69635	0.8
283.06198	0.9
289.07104	2.2
301.06845	2.5
311.12787	3.4
339.12057	1.4
357.12836	1.0
357.17154	0.7
374.30554	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1334
Annotation	Monotesone A
Peak:m/z	Relative Intensity
58.85734	0.9
65.03957	1.0
67.05498	3.1
67.14491	0.9
68.99817	1.0
69.07071	100.0
69.59262	0.9
69.73225	5.1
79.05493	1.5
81.07030	1.2
91.05478	2.2
93.07053	1.7
93.23501	1.0
107.04965	6.7
121.02864	4.7
121.06519	1.1
123.11789	1.1
127.03921	2.5
131.04916	1.6
133.02902	1.5
135.04451	2.8
139.03888	4.8
143.08641	1.2
147.04388	4.4
149.02347	21.8
149.05975	2.4
153.01840	39.3
153.07037	1.2
157.06470	2.4
165.01837	3.3
167.03461	4.9
169.06523	1.3
181.06476	3.4
184.05261	1.0
185.05975	2.6
189.09167	1.7
195.02908	8.6
197.06050	1.3
199.07532	2.7
203.03381	7.7
215.07031	14.0
227.07042	14.4
231.40804	1.1
242.05801	3.8
243.06543	14.8
255.06554	15.4
271.06015	7.6
283.06088	9.9
283.13312	5.5
289.07080	37.9
297.06738	1.3
301.07065	29.8
311.12790	21.1
331.41718	1.0
339.12177	8.3
357.13367	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	357.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
61.37862	0.7
69.07079	8.6
70.11063	3.1
73.31212	0.6
79.05510	0.7
81.07050	5.6
82.48497	0.7
82.95194	0.8
88.78940	0.8
91.05466	3.9
93.07082	1.0
95.08651	1.1
98.97589	0.6
103.05468	1.2
105.07008	1.1
119.04939	1.8
131.04941	6.3
137.27235	0.8
147.04425	22.4
147.84708	0.6
149.01321	0.7
154.66754	0.8
159.04413	7.2
167.06044	0.9
175.03935	2.3
191.75941	0.7
203.03410	100.0
204.03722	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1334
Annotation	Kenusanone J
Peak:m/z	Relative Intensity
55.01860	1.5
62.04591	0.6
68.99796	3.6
70.73058	1.4
70.73428	1.3
83.83679	0.7
89.21529	0.8
95.04967	3.0
97.02849	0.7
103.33013	0.7
107.04971	5.2
111.04480	1.4
121.02880	9.4
123.00785	2.0
123.04436	5.7
133.02919	0.9
134.21487	0.7
135.04431	3.7
137.02341	1.9
139.03912	52.8
140.04213	0.7
141.01816	3.1
151.03883	1.0
153.01868	1.2
157.06537	0.7
163.03896	6.1
165.01848	80.7
166.02144	1.3
173.23640	0.7
179.03406	16.2
183.01341	1.5
183.02911	21.8
195.02914	1.7
195.10262	1.1
199.07671	0.8
221.08081	7.7
227.06993	1.8
255.06445	6.8
261.55032	0.8
273.07584	1.4
287.35693	0.7
301.07086	100.0
302.07367	2.6
327.31784	0.7
357.13187	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	357.1332
Annotation	Kenusanone J
Peak:m/z	Relative Intensity
54.95950	1.3
55.01872	11.9
55.05495	2.4
65.03947	1.6
67.05505	1.6
68.99799	6.9
69.07074	13.0
70.06584	2.2
79.05500	2.2
81.07014	1.6
91.05450	2.5
93.07037	1.7
95.04957	3.0
98.97569	2.5
105.07035	1.7
107.04958	25.9
109.02899	2.6
116.98622	1.8
121.02869	44.4
121.03799	1.5
123.00816	6.1
123.04442	2.5
127.04028	2.0
128.06200	2.4
133.02835	1.4
135.04410	18.1
137.43225	1.9
139.03911	50.0
143.08522	2.7
145.06511	4.7
151.03896	7.1
153.06992	2.8
155.03372	1.8
157.06494	7.5
159.08061	4.4
161.02316	1.7
163.03934	6.6
165.01840	72.3
165.06848	1.6
171.08025	5.1
172.19833	1.5
173.05930	2.6
179.03398	7.5
181.06477	8.1
183.02888	13.8
185.06003	11.1
195.10132	2.6
199.07579	8.0
201.05443	2.7
213.05518	5.3
215.07164	1.6
217.08673	1.9
221.08098	27.4
227.07037	23.4
232.98663	1.4
235.09560	2.3
242.05753	3.1
254.05737	4.0
255.06534	100.0
256.06848	2.0
273.07458	9.2
283.06082	9.1
283.13269	8.3
301.07089	24.1
310.12015	3.3
311.12759	27.0
334.03476	1.5
339.12238	8.3
349.47040	1.8
357.13339	89.4
378.93213	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2846
Annotation	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
53.01724	1.7
53.03952	2.7
55.05273	2.9
55.05515	41.4
57.03445	12.4
57.07079	14.8
59.05006	1.7
65.03933	3.0
67.05511	78.7
68.95196	1.6
69.07070	46.7
70.06602	2.7
71.04986	3.3
71.06873	1.8
71.08621	6.4
73.04761	4.0
79.05497	28.2
79.81326	1.7
81.07066	100.0
83.04946	3.1
83.08627	35.3
85.06555	3.6
85.10149	3.2
88.07637	7.2
91.05469	22.9
93.07054	37.0
95.04980	3.4
95.08614	88.2
97.06535	12.6
97.10169	23.3
98.20729	4.1
99.08075	2.9
103.03970	3.2
105.07034	18.1
106.08662	2.9
107.08598	26.2
109.06502	2.4
109.10167	43.0
111.08089	8.0
111.11713	5.8
113.09637	2.4
119.08568	19.0
121.10146	30.5
122.91283	1.8
123.08080	2.5
123.11728	23.6
125.13264	2.1
127.11217	2.4
129.05467	2.7
131.08536	2.5
133.10156	19.7
135.11705	17.9
137.09621	2.2
137.13272	10.7
145.10158	3.9
147.04419	3.5
147.11702	15.3
149.13245	19.7
151.07713	1.9
151.11200	2.2
151.14819	7.1
153.12778	2.6
157.10208	2.0
159.11589	2.1
160.56029	2.0
161.13289	18.5
163.14845	14.5
165.12744	3.3
165.16388	6.9
175.14848	11.5
175.16125	1.8
179.17958	3.7
181.10078	1.8
181.15799	2.2
184.50497	2.4
189.16396	7.7
201.00438	2.0
203.03447	8.8
203.05078	2.0
203.17970	2.3
223.83359	2.2
245.22678	47.2
255.50412	2.2
263.23727	50.9
264.23883	2.0
285.16428	2.5
299.05429	2.7
299.17932	2.5
313.19678	2.7
337.27417	30.5
337.31476	2.6
337.33185	2.6
355.24283	20.3
355.28427	7.5
355.33972	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	355.2845
Annotation	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05517	29.9
57.03440	6.7
57.04046	1.9
57.07077	16.2
67.05509	77.9
67.31401	2.0
67.68199	2.1
69.07070	31.2
70.18508	7.2
71.08635	5.4
73.38851	1.8
74.63711	1.8
79.05489	24.0
81.07059	100.0
83.04988	4.5
83.08627	23.9
85.06554	5.1
91.05473	16.5
93.07047	27.5
95.08607	78.2
97.06543	8.8
97.10178	21.9
98.20895	2.4
99.08079	3.6
105.07043	13.0
107.08610	24.7
109.10157	41.4
111.08089	4.8
111.11728	8.0
113.09683	2.2
119.08590	14.0
121.10153	32.6
123.11714	22.3
125.09628	3.5
133.10147	20.2
135.11711	18.6
137.09631	2.6
137.13245	9.2
139.11230	2.7
139.47147	2.1
147.11713	13.9
147.82835	1.9
149.13255	15.8
151.14842	9.3
151.62865	2.2
155.14381	2.7
161.13266	18.2
163.14839	16.8
165.16412	6.4
170.61688	2.2
175.14818	13.1
177.16423	2.5
179.14400	2.9
179.17969	4.1
189.16386	6.8
193.15851	3.3
203.03458	3.1
203.17882	2.1
207.17459	2.4
245.22658	50.0
263.23721	49.9
314.37384	2.2
337.27420	29.5
355.28516	4.9
356.35245	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	355.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94556	2.4
52.43964	2.5
53.03953	4.1
53.67233	2.6
55.01881	2.7
55.05513	38.1
57.03427	10.9
57.07087	15.9
65.03950	2.6
65.94418	2.8
67.05508	80.7
69.06734	3.7
69.07072	48.7
70.06575	5.7
70.18725	6.7
71.08639	7.2
74.52369	2.8
79.05491	30.2
81.03419	3.4
81.07057	99.7
82.04899	2.6
83.04973	5.9
83.08620	33.5
85.06537	4.3
88.07612	4.9
90.90411	2.5
91.05453	19.6
93.07050	37.6
95.08615	100.0
97.06534	12.8
97.10183	26.5
99.08121	6.1
102.96452	2.6
105.07035	15.5
107.08614	26.7
109.10166	50.1
111.08067	6.2
111.11713	6.6
119.08582	15.8
121.09341	3.9
121.10152	34.8
123.11709	24.9
129.05464	4.2
131.08572	2.5
133.10138	20.5
135.11734	20.2
137.13231	8.8
147.04413	3.1
147.11681	15.2
149.13312	13.9
151.11252	3.3
151.14825	8.3
161.13293	15.0
163.14818	16.3
165.16359	8.4
175.14806	11.4
177.16376	4.7
179.14268	2.6
179.17955	4.9
189.16376	6.0
203.03401	11.4
245.22662	54.0
263.23715	47.9
319.22900	2.8
337.27405	30.8
338.79221	2.7
355.28299	11.1
355.33487	4.1
356.35211	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	355.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03622	3.9
55.01871	9.4
55.05510	43.4
57.03432	13.8
57.07080	23.2
61.35415	3.9
64.50613	4.6
67.05509	83.3
69.07075	56.2
70.79535	9.5
70.79880	4.7
71.04987	4.2
71.08611	7.5
73.02936	5.9
73.04796	4.7
74.14836	4.5
79.05502	29.8
81.07064	100.0
83.08620	41.1
85.13647	3.9
86.06064	13.4
87.04458	11.7
91.05416	24.1
93.07041	32.7
95.08612	91.4
97.06550	14.9
97.10159	25.4
105.07059	23.5
107.08588	32.3
109.10161	41.0
111.08095	5.2
111.11739	8.3
119.08583	18.1
119.60479	4.6
121.10159	30.6
123.11713	21.5
129.05484	16.8
129.06978	6.0
133.10132	20.5
135.11697	24.7
135.17189	4.7
135.71529	4.8
137.13261	7.7
143.08553	7.8
147.11702	20.4
149.13258	16.4
151.14870	4.5
155.08611	4.7
161.13268	18.6
163.14818	16.4
165.16338	7.1
166.14223	4.3
171.11765	4.2
175.14871	9.9
183.11804	6.9
189.16386	7.9
245.22626	51.8
251.11893	24.4
263.23734	54.8
281.24899	4.3
337.27408	30.2
355.28531	85.5
356.28537	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	355.2843
Annotation	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
51.84942	3.1
53.03954	5.9
55.05517	41.1
57.03430	10.1
57.07074	14.5
63.90165	3.2
67.05508	70.8
69.07077	41.9
69.45081	21.0
71.08615	8.7
73.04736	4.1
74.41729	3.5
79.05489	29.9
81.06590	6.9
81.07061	100.0
83.05013	4.7
83.08614	26.0
85.06533	6.3
85.10179	3.8
91.05451	19.3
93.07050	33.6
95.04956	3.8
95.08613	89.4
97.06553	13.2
97.10185	19.1
102.10275	3.8
105.07044	17.1
107.08588	28.1
109.10173	45.8
111.11716	6.4
114.29256	3.7
119.08592	13.5
121.10156	28.3
123.11699	22.7
133.10144	20.2
135.11725	19.8
135.63316	3.9
137.13249	10.2
147.11697	16.0
149.13274	17.2
151.14850	8.7
161.13268	14.8
163.14861	15.4
165.16408	4.4
175.14821	10.4
179.17969	4.1
189.16452	6.1
231.37021	3.4
245.22665	51.4
263.23709	44.6
286.75046	4.1
317.03177	4.1
331.87469	3.5
337.27408	20.4
355.28186	55.3
363.61575	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	355.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06802	0.6
57.07082	11.1
63.39085	0.5
69.76974	0.6
70.73723	1.4
84.91882	0.5
85.06547	7.5
91.05477	2.6
97.06531	2.4
103.05473	1.8
119.04956	1.0
131.04950	8.2
131.88913	0.8
135.11726	0.6
147.03253	1.0
147.04430	19.9
147.96051	0.6
153.12730	1.1
159.04443	6.6
175.03940	1.8
203.03418	100.0
204.03789	1.7
225.40103	0.5
271.09830	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1541
Annotation	(E,E)-8-(7-Hydroxy-3,7-dimethylocta-2,5-dienyloxy) psoralen
Peak:m/z	Relative Intensity
53.03958	0.4
55.05499	1.3
57.07078	14.4
66.42941	0.4
67.05489	1.5
69.07055	1.7
70.08157	1.5
70.08586	0.8
73.04745	0.9
79.05473	2.2
80.77051	0.4
81.03411	0.9
81.07048	1.7
83.08602	0.7
85.06083	0.7
85.06546	6.9
91.05469	2.0
93.07043	3.1
95.04935	0.5
95.08600	1.4
97.06525	1.3
98.20907	0.6
103.05473	1.0
105.07013	1.4
106.41545	0.4
107.08604	2.7
109.10135	1.4
111.08089	0.6
119.04929	1.2
119.08599	0.9
121.02850	0.6
121.10130	1.0
128.06226	0.5
129.07019	0.8
131.04935	9.9
135.11700	4.1
143.04881	0.5
145.02832	0.5
147.04401	3.0
147.11693	0.8
153.01851	0.8
153.12723	1.4
159.04428	16.2
161.05952	0.4
163.03893	1.7
165.01874	2.1
171.04431	0.7
173.02382	0.5
182.07275	0.7
187.03909	12.1
187.07423	0.6
189.05472	1.1
191.03485	0.8
199.03951	0.6
199.07565	0.6
201.01686	0.5
201.05446	0.6
203.03412	14.8
213.05527	1.2
215.03397	100.0
216.03914	2.1
225.05533	1.0
225.09103	0.8
226.06239	0.6
227.03514	0.7
227.07056	2.6
229.04956	1.6
237.09056	0.5
238.06334	0.5
239.03569	2.1
251.06892	0.6
252.04156	0.7
253.04994	4.9
253.08609	2.5
255.06554	2.3
255.10228	2.7
266.05679	0.5
267.06546	1.5
269.11743	1.0
271.09723	5.7
279.06537	3.1
281.08066	9.4
283.05991	5.2
285.00974	0.6
294.08722	0.6
295.06195	0.9
295.09628	3.8
299.05518	1.1
307.06128	1.1
308.06601	0.7
311.16367	9.7
319.09665	1.3
322.08469	1.3
337.10641	14.8
337.14389	14.7
355.11591	1.9
355.15454	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	355.1177
Annotation	Gancaonin C
Peak:m/z	Relative Intensity
55.05534	0.9
58.64892	1.0
67.05487	1.4
68.99809	2.5
70.92680	2.7
76.23634	1.0
79.01845	2.9
81.07041	1.6
82.34399	0.9
87.01982	1.1
91.05450	1.2
93.07038	1.6
100.84385	1.0
105.07033	1.1
115.05401	1.9
117.16296	1.0
119.04925	1.6
121.02868	2.5
129.07019	1.4
131.04927	3.7
131.08575	1.1
135.11682	1.9
137.02400	1.9
139.03897	1.1
141.07109	1.3
143.08577	1.2
145.02879	1.3
145.06459	2.1
147.04477	2.3
149.02325	4.0
153.01833	20.9
153.06996	1.1
157.06485	1.1
159.04303	1.3
163.03853	1.4
165.01855	5.5
169.06458	1.5
183.08041	1.5
197.05981	1.4
199.07643	2.8
203.03400	8.7
211.07550	2.2
215.03473	6.4
227.07039	1.9
229.04964	2.0
239.07051	2.9
255.06514	13.6
266.05945	1.9
267.06500	9.1
271.05933	2.3
279.06503	1.5
281.08276	1.4
281.11606	1.1
283.06033	77.0
284.06329	1.7
291.10397	1.3
293.07993	1.4
294.05463	1.0
295.06052	36.9
295.09564	3.2
299.05505	19.2
307.06055	4.6
308.06891	4.3
309.07495	3.3
309.11197	3.9
319.09805	8.2
321.07587	3.1
322.08270	6.7
337.10727	100.0
355.11768	81.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1179
Annotation	Platanetin
Peak:m/z	Relative Intensity
50.65398	0.2
55.01849	0.8
68.99768	0.6
70.22021	0.8
73.04744	0.4
79.01856	0.2
79.39169	0.2
81.03410	0.2
91.05807	0.3
93.32941	0.2
98.21452	0.2
110.43574	0.2
112.34382	0.2
123.00774	1.2
123.15740	0.2
127.75211	0.2
135.04408	1.4
137.01399	0.3
137.02359	4.1
137.03362	0.2
141.01826	2.8
153.01819	0.2
162.20566	0.2
163.03871	0.6
165.01852	29.2
166.02086	0.2
183.01370	0.4
183.02910	5.8
187.07532	0.4
189.05615	0.2
203.03264	0.5
203.89452	0.2
248.09776	0.2
263.33328	0.3
271.05823	0.3
285.00952	0.3
299.05527	100.0
300.05750	1.2
354.77472	0.2
355.07568	0.4
355.11792	9.7
355.18753	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1179
Annotation	Gancaonin C
Peak:m/z	Relative Intensity
62.72985	0.5
68.99790	2.2
70.60340	0.7
70.60671	1.2
85.06549	0.7
86.97353	0.5
96.73830	0.6
97.53219	0.5
115.05465	4.2
121.02861	1.3
131.04944	2.7
141.06987	1.4
143.04881	0.5
143.08638	0.7
149.02374	2.3
153.01851	5.3
155.08504	0.9
157.06456	0.7
159.04443	1.2
165.01970	0.6
165.07004	1.2
169.06450	1.8
171.08090	0.9
187.03926	1.2
197.05994	0.7
199.07552	1.4
211.07567	2.1
215.03410	16.0
221.05922	1.4
238.06238	1.6
239.07062	6.1
255.06526	3.5
266.05695	2.9
267.06540	7.9
271.06042	0.5
271.09674	1.1
283.06012	12.4
292.58240	0.6
295.06039	100.0
296.06375	1.6
299.05493	0.9
309.11292	1.7
318.38171	0.5
319.09497	0.6
321.07462	0.9
337.10733	52.0
338.11041	1.1
355.11758	18.8
355.15570	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	355.1178
Annotation	Platanetin
Peak:m/z	Relative Intensity
53.68624	0.5
54.50861	0.5
55.01634	0.7
55.01878	11.1
55.73420	0.5
55.98024	0.5
56.56745	0.5
58.05907	0.6
68.99793	2.1
69.80516	3.0
71.52531	0.6
76.27273	0.6
79.01861	3.7
93.31313	0.5
96.29757	0.5
96.91673	0.5
98.21478	0.6
107.04948	1.1
115.05486	0.7
117.07069	1.1
123.00769	3.2
123.04406	0.9
133.06464	0.7
135.04385	1.0
137.02342	1.3
145.06512	2.2
147.04425	0.7
153.01846	1.1
159.04402	1.1
161.02357	12.1
165.01851	19.7
169.06461	0.6
171.04451	0.8
173.05978	2.2
183.02936	1.0
185.06003	1.0
197.06009	1.1
201.05495	7.8
213.05458	1.8
225.05414	1.3
227.03404	13.3
229.04987	15.1
241.26038	0.6
243.06586	1.1
253.04947	2.0
257.04471	2.2
271.06168	1.3
281.04535	2.2
285.11377	0.6
299.05533	100.0
300.05984	1.6
321.08038	0.6
355.11789	76.9
356.12085	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1179
Annotation	Laburnetin
Peak:m/z	Relative Intensity
52.19983	0.7
52.72158	0.6
53.50354	0.7
55.01876	3.3
55.56273	0.7
57.07084	7.0
67.05508	1.0
68.99782	2.4
69.03450	0.9
70.01205	2.9
71.45591	0.6
79.01855	4.7
79.05489	2.2
81.03392	1.0
81.07049	1.5
85.06554	5.5
89.45451	0.7
91.05475	3.3
93.07011	0.8
95.04913	1.0
97.06492	1.2
98.97564	1.9
99.00812	0.9
103.05479	1.0
107.04949	3.1
109.10097	0.7
119.04935	1.7
123.00809	3.3
127.96421	0.8
131.04939	4.4
131.94159	0.8
135.04408	8.2
137.02332	2.3
141.01848	8.3
145.06454	2.0
147.04422	10.4
157.06425	0.9
159.04451	5.9
163.11591	0.7
165.01851	63.1
173.05882	1.2
175.03886	1.2
175.07497	1.6
176.04665	1.1
183.02901	14.1
185.05927	1.2
187.03996	0.8
189.05508	1.1
197.06003	1.0
200.04724	4.0
201.05486	2.8
203.03407	47.9
213.05362	1.3
215.03404	1.4
216.04002	1.0
219.06532	2.3
228.04007	1.4
229.04860	1.4
235.10843	0.8
245.09682	2.4
247.07610	0.9
248.08357	1.8
253.04919	2.1
259.05939	1.5
260.03128	0.9
263.10648	2.1
276.07834	1.7
277.08475	1.2
281.04480	18.6
283.06042	22.4
284.06778	2.0
291.10242	1.3
293.07974	1.8
295.05756	0.9
299.05515	100.0
300.05679	0.8
303.06500	1.2
304.07507	1.0
305.08057	2.7
309.10904	1.1
319.09622	17.1
321.07608	16.2
322.08380	8.1
336.06165	1.2
337.10709	97.3
338.10959	2.7
355.11765	64.9
356.11786	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1175
Annotation	Laburnetin
Peak:m/z	Relative Intensity
55.01867	1.5
55.05522	3.2
56.05027	0.7
57.07082	13.9
67.05494	3.5
68.99809	0.7
69.03410	1.5
69.07056	2.7
69.16934	2.3
69.17356	4.7
72.08128	0.8
73.04753	1.9
79.05496	4.5
81.03423	3.3
81.06629	0.6
81.07050	4.2
83.04958	1.4
83.08604	1.5
83.97158	0.7
84.04483	0.7
84.08154	1.0
85.06546	7.0
90.17682	0.7
91.05478	3.1
93.07060	4.1
95.04939	1.2
95.08616	2.5
97.06522	2.6
98.21484	1.3
100.11253	1.2
103.05455	1.3
105.07040	3.4
107.08591	2.7
109.06499	0.9
109.10146	2.5
111.08102	0.8
115.05424	1.1
117.07006	1.5
119.04915	1.7
119.08585	2.6
121.02866	3.3
121.10161	0.9
129.07004	0.8
131.04929	11.2
131.08543	0.8
133.10100	1.6
135.04463	0.7
135.11674	3.5
135.48462	0.7
141.01810	0.7
141.06947	1.1
143.08556	1.4
145.02841	1.9
145.06505	1.5
145.10155	1.4
147.04411	3.3
147.11703	1.2
149.13319	0.9
153.01804	2.0
153.12744	1.9
155.08612	0.7
157.06482	1.1
159.04420	17.1
159.11780	1.0
161.05948	0.7
163.03934	3.0
165.01848	6.5
169.06505	1.0
173.05988	1.7
179.03452	0.9
183.02890	2.0
185.06030	1.0
187.03909	14.0
187.07486	1.1
189.05534	1.2
197.09654	0.9
199.03864	1.3
199.07570	1.2
201.05519	1.6
203.03398	14.5
211.03761	0.7
213.05464	2.5
215.03404	100.0
216.03893	1.3
225.09340	1.1
227.06956	1.3
229.05011	1.9
235.07526	0.8
239.03346	2.0
253.04999	3.9
253.08641	2.3
255.06482	2.6
255.10205	3.0
266.05453	0.8
267.06549	3.0
267.13870	2.0
269.11743	1.0
271.06256	1.0
271.09695	4.6
276.03778	0.8
279.06583	4.2
281.05093	0.7
281.08090	11.1
283.06052	20.5
285.00909	1.0
293.08136	0.8
294.08734	0.8
295.06039	5.1
295.09637	5.3
297.07715	0.9
299.05496	2.7
299.08661	0.7
307.05991	3.4
308.06696	2.1
309.07593	1.6
309.11069	1.1
311.16449	10.2
319.09793	3.9
321.07474	1.9
322.08374	3.9
337.10690	57.9
337.14417	13.6
355.07401	1.2
355.11679	4.5
355.15518	6.9
355.26468	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1174
Annotation	(+)-EI 1507-1
Peak:m/z	Relative Intensity
52.16238	0.7
55.01884	1.2
55.05510	2.4
67.05496	3.2
68.99811	0.8
69.03424	2.8
69.07075	1.9
70.06590	1.0
71.38487	1.8
72.34399	0.9
73.04748	1.2
79.05491	2.9
80.31574	0.9
81.03427	2.8
81.07069	5.9
83.04986	1.3
84.08140	0.9
91.05449	2.3
91.05887	1.1
93.07046	4.7
95.04968	2.3
95.08614	4.1
97.06524	2.6
97.10132	1.1
99.08109	1.0
103.05505	0.8
105.07049	4.4
106.42320	0.9
107.04951	3.4
107.08607	2.3
109.06493	1.7
109.10175	1.8
111.04427	1.0
115.05525	1.2
115.23939	0.8
117.07042	1.1
119.04910	1.3
119.08569	2.7
121.02905	5.8
121.03689	1.1
121.06515	1.4
121.10143	3.7
123.11682	1.4
125.09679	0.8
129.07018	1.3
131.04964	2.4
131.08571	1.4
133.10127	1.5
135.04425	4.4
137.05966	1.2
139.11206	7.6
145.06474	2.5
145.10121	0.9
147.11707	2.3
149.05943	0.9
153.01813	4.9
155.08408	1.0
157.06482	1.0
157.10107	1.4
159.04439	2.0
159.08104	1.2
163.03900	4.4
165.01878	1.0
169.06557	1.2
171.04385	0.9
173.06039	1.2
175.07587	1.7
176.04596	1.0
177.01846	0.9
177.05518	1.1
187.03947	3.8
187.07547	1.1
189.05411	1.2
200.04683	2.9
201.05531	2.6
202.07816	1.0
203.03391	3.0
213.05548	1.2
215.03387	9.7
219.06567	6.5
228.04163	1.1
245.09610	1.1
248.08347	1.1
252.07906	0.9
255.06645	0.9
260.02954	1.1
263.10800	1.0
267.13806	2.2
273.09235	1.0
276.07901	1.0
277.08734	1.4
279.06393	1.4
283.06110	5.4
285.00970	1.8
293.08047	1.2
295.06128	2.1
295.09592	1.2
297.07614	4.1
299.05521	1.2
304.07507	0.9
305.08023	2.1
307.06079	2.3
308.06943	1.0
319.09738	13.4
319.22751	0.9
321.07605	16.7
322.08450	7.2
337.10718	100.0
338.11017	1.2
355.11646	16.1
355.15421	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	355.1025
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
65.71577	0.5
67.67189	0.6
70.74830	1.6
70.89179	0.6
79.04651	0.7
79.05478	1.2
81.16400	0.7
85.37632	0.6
88.61417	0.6
89.03923	5.7
92.55409	0.7
107.04986	1.8
117.03376	10.0
132.67133	0.8
135.04433	14.8
145.02864	11.7
145.03992	0.8
151.44511	0.6
163.03917	100.0
164.04292	1.1
238.31407	0.7
348.23279	0.7
348.63004	0.8
359.99588	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3366
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
53.03942	0.9
55.05518	11.7
56.05038	1.6
57.05808	2.2
57.07076	16.6
58.02958	1.4
58.06319	1.0
58.06602	18.3
60.04532	3.9
66.08497	0.8
67.05508	6.1
69.07071	19.1
70.02945	3.2
70.06602	6.0
70.48847	0.8
71.04978	2.6
71.08636	10.0
71.22041	1.1
71.22397	0.9
72.04504	2.4
74.06070	2.3
79.05485	2.3
81.07055	13.9
82.06566	1.7
83.04985	0.7
83.08624	13.8
84.04520	1.4
84.08138	6.5
85.10191	3.9
86.06059	5.0
87.04461	1.1
87.06835	1.5
93.07047	2.5
94.06567	1.0
95.08604	17.1
97.10173	10.5
98.09679	1.6
100.07706	0.9
101.71986	0.8
105.00366	0.7
105.07019	0.8
107.08591	1.9
108.08102	0.9
109.10153	8.7
111.11729	4.8
112.07578	1.9
121.10111	1.0
122.09696	1.2
123.08031	1.3
123.11690	4.2
125.13304	1.1
126.09204	1.0
135.11691	1.6
137.13268	1.8
160.33498	0.6
176.83484	0.8
205.19305	0.7
212.48654	0.7
268.30042	2.2
294.31528	3.2
306.31580	3.6
307.30051	3.0
308.33234	4.4
308.36160	0.7
313.64154	0.8
318.31702	0.9
324.32788	1.1
326.34268	4.9
336.32645	16.3
337.31015	2.4
354.33679	100.0
355.34048	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	354.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11008	2.2
53.03934	5.7
53.47071	2.1
55.01865	7.7
57.03426	6.8
61.02921	5.1
61.43684	2.2
64.68134	2.1
65.90095	1.8
68.99783	5.0
69.03431	35.4
69.55649	14.5
70.06574	4.4
71.04996	5.7
72.08167	3.9
73.02911	4.8
75.83149	2.2
79.05489	2.6
81.03412	22.9
85.02908	100.0
86.09702	5.3
87.00829	50.9
97.02892	33.7
98.21539	3.8
99.04453	15.2
105.01872	78.4
105.07024	2.8
109.02888	24.1
125.09572	2.6
127.03933	76.0
129.01802	3.4
145.04974	35.8
147.04439	3.3
159.02881	13.5
174.15941	2.1
191.06923	3.1
213.03938	2.5
231.05046	23.6
249.05974	5.8
262.09387	2.9
290.08792	2.6
322.11636	5.5
354.14319	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1186
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
50.62171	0.4
51.02384	0.5
53.03942	0.5
57.03416	0.5
60.04513	0.8
61.02912	0.8
62.08674	0.4
67.05495	0.8
69.03434	2.5
69.83925	2.0
70.06594	3.5
72.08138	1.5
73.02901	0.5
75.17972	0.4
81.03394	0.9
84.04490	0.7
84.08147	2.1
85.02914	3.2
86.09700	1.1
87.04467	0.8
88.03968	0.5
91.05486	3.8
93.80946	0.4
94.06571	4.7
95.04952	0.6
97.02924	0.5
103.05428	0.5
104.04989	0.5
109.02882	0.7
110.07178	0.5
117.03365	0.6
117.05749	1.3
117.87714	0.4
118.06549	6.6
119.04946	1.3
120.08099	1.1
122.06033	6.3
127.03903	1.0
129.03355	0.4
129.10251	0.9
130.06488	0.5
134.03639	0.8
134.05966	0.8
135.04382	1.0
136.07564	0.9
145.02840	0.9
145.05022	0.5
146.04842	0.8
146.06009	17.6
147.04463	1.0
147.06702	0.9
150.05521	1.5
154.66441	0.4
162.05519	1.6
163.03917	6.0
164.07047	6.5
174.05510	100.0
175.03928	1.3
175.06044	1.4
176.07053	1.0
192.06560	50.8
193.07043	0.4
207.06476	2.2
210.11003	0.4
234.07639	0.4
336.10608	0.9
354.11835	41.6
355.11792	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2688
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
52.63771	2.7
53.03942	3.8
55.05510	13.0
56.49895	2.3
57.03432	3.7
57.07065	6.6
65.03938	2.9
67.05508	95.1
69.07069	13.1
71.04975	2.6
71.14000	3.6
71.14325	3.9
79.05497	43.9
81.06593	5.5
81.07063	100.0
83.08619	5.9
85.06545	4.3
91.05489	24.8
93.07047	63.6
95.04977	2.6
95.08614	72.7
97.06522	4.5
97.10199	4.6
105.04523	2.8
105.07028	15.8
107.08597	54.3
109.10174	38.4
111.11681	3.1
117.07038	11.9
119.08582	12.1
121.10141	41.5
123.11743	19.7
131.08553	24.1
133.10127	17.3
135.11702	29.9
137.13277	7.0
145.10152	17.0
147.11694	11.8
149.13275	25.0
159.11703	19.4
161.13257	11.3
162.73752	2.9
163.14821	14.6
173.13206	17.4
175.14909	3.6
187.14796	8.5
201.16371	3.6
203.64632	2.6
219.17686	2.7
233.22739	7.0
243.21117	25.7
261.22177	97.0
279.23227	4.7
335.26102	3.8
350.41721	2.7
353.26907	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	12.7
57.03445	6.8
59.28736	4.1
67.05183	7.9
67.05510	88.1
69.07069	11.9
69.23051	10.1
69.23478	26.5
71.05007	4.3
78.37961	3.6
79.05504	34.4
81.07068	86.0
83.08625	7.7
91.05466	20.4
93.07050	55.1
95.08609	74.8
97.06542	4.4
105.07039	12.4
107.02197	4.1
107.08585	27.6
109.10155	39.0
110.88492	4.1
117.07014	8.0
119.08583	9.0
121.10142	35.5
123.11724	18.6
131.08560	19.5
133.10100	11.0
135.11702	24.7
137.13304	6.7
145.10103	12.3
147.11723	13.0
149.13252	18.2
159.11650	14.5
161.13228	6.8
161.43658	3.8
163.05872	3.8
163.14821	12.6
173.13226	13.7
176.36082	4.0
187.14861	14.0
243.21213	24.5
245.78748	4.2
261.22141	100.0
311.08841	4.7
335.25763	10.6
353.26852	20.1
357.74820	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	353.2688
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03947	3.2
55.05519	15.8
57.03444	3.2
57.07081	6.1
63.94534	1.7
64.08475	1.7
65.03926	4.5
67.05509	98.8
69.07086	11.7
70.00610	8.6
71.04996	2.9
71.37086	2.0
74.53246	1.8
79.05495	53.4
81.07063	88.6
83.08625	7.2
88.22784	1.7
90.03825	1.9
91.05494	23.5
93.07052	61.1
94.49564	1.9
95.08614	61.1
97.06510	2.6
97.10157	2.8
98.20787	1.9
105.07041	20.0
107.08610	36.8
109.10170	32.4
110.30271	2.1
117.07027	10.1
119.08601	13.2
121.10141	25.6
123.11717	14.7
131.08575	20.2
133.10136	10.8
135.11694	23.7
137.13254	5.8
139.11159	2.0
145.10133	18.6
147.11699	8.3
149.13275	16.2
153.12782	2.5
159.11708	13.7
161.13252	9.6
163.14871	13.0
173.13315	16.5
175.65294	1.8
177.16458	3.3
187.14819	8.8
201.16376	2.7
233.22617	3.5
243.21098	21.4
261.22153	100.0
262.22739	2.6
279.23343	3.8
335.25763	4.6
353.26926	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	353.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.8
55.05506	12.5
57.03428	7.9
57.07077	4.2
65.03914	3.5
67.05507	97.0
69.07073	11.3
70.47086	1.9
70.80402	3.0
71.08607	2.5
79.05073	3.4
79.05495	41.4
81.07060	100.0
83.04970	2.0
83.08634	4.7
85.06538	5.1
85.99355	2.1
91.05481	22.3
93.06498	2.8
93.07049	51.8
93.98421	2.0
95.08615	77.1
97.06525	2.3
103.71783	2.5
105.07033	17.0
107.08601	37.4
108.21246	2.4
109.10171	41.7
117.07014	9.3
119.08586	15.9
120.55149	1.8
121.10139	31.3
123.11712	18.8
131.08589	21.3
133.10176	10.6
133.10968	1.9
135.11690	26.8
137.13232	9.4
145.10147	13.3
147.11716	11.1
149.13257	19.5
151.14832	3.0
159.11745	12.4
161.13278	11.4
163.14806	9.8
165.12726	2.8
173.13232	15.2
173.83200	1.9
175.14828	2.7
177.16420	3.6
187.14780	8.9
187.73398	2.1
189.71660	2.1
233.22694	4.3
237.85188	2.0
243.21107	23.4
261.22137	92.8
279.23239	9.6
335.25803	8.7
353.26993	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	353.2687
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03946	3.0
55.05506	8.1
56.10360	1.9
57.07083	3.3
67.05508	67.8
67.22969	1.9
69.07053	7.7
69.83659	11.3
72.30991	2.0
79.05496	27.1
81.07061	80.3
83.08627	5.5
85.06494	2.0
91.05489	15.3
93.07051	47.6
95.04978	2.6
95.08613	54.4
97.06477	2.4
97.10161	3.4
105.07058	14.7
107.08609	31.4
109.10156	29.3
111.08092	2.3
117.07029	8.7
119.08578	10.7
121.10157	28.5
123.11733	22.4
131.08591	13.6
133.10168	12.2
135.11708	27.4
137.13268	6.4
145.10155	15.8
147.11676	11.8
149.13275	20.5
151.14801	3.7
159.11708	13.3
161.13246	8.8
163.14867	12.6
173.13260	15.7
175.14876	2.3
177.16344	4.9
187.14804	11.3
191.14188	2.1
201.16435	4.7
219.17548	2.2
222.43872	2.1
229.64474	1.9
233.22552	3.3
243.21118	23.3
261.22165	100.0
279.23108	3.8
324.94458	2.2
335.25781	5.6
353.26849	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.269
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
54.75174	2.8
55.05518	10.2
57.07082	5.9
58.06613	3.8
58.21001	3.5
58.71891	3.1
65.03938	4.6
65.54445	2.8
67.05508	92.0
69.07083	10.4
71.04977	5.6
71.48643	4.9
71.91405	3.5
78.04865	3.1
79.05495	39.2
81.07059	100.0
81.07527	4.9
83.05001	5.9
83.08633	9.0
84.32001	3.2
85.06538	3.6
91.05484	27.9
93.07054	60.9
95.04977	6.2
95.08614	68.4
97.10192	3.8
105.07034	20.1
107.08600	33.9
109.10161	42.0
111.08091	3.8
117.07050	10.2
119.08546	15.5
121.10162	33.1
123.11717	20.0
131.04861	3.4
131.08583	17.8
133.10159	13.6
135.11725	26.1
137.13243	7.2
145.10103	18.3
147.04404	7.6
147.11736	11.5
149.13289	14.1
159.11717	16.6
161.13332	8.8
163.14880	10.0
173.13326	13.0
175.14877	5.3
184.66090	3.1
187.14882	4.7
203.03426	34.7
233.22719	4.5
243.21101	16.4
261.22141	75.4
279.23291	8.4
298.21988	3.4
335.25885	8.5
353.06458	4.6
353.10217	14.1
353.26889	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	353.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.5
55.05513	14.8
57.03445	5.8
57.07066	3.6
57.53983	1.5
65.03935	3.7
67.05510	92.1
69.07070	11.9
69.32289	5.6
69.32719	4.0
71.04987	2.8
71.08627	1.2
75.04504	1.4
77.03910	1.8
79.05498	45.2
81.07062	100.0
83.04978	1.8
83.08616	7.1
84.47325	1.2
85.06518	2.5
91.05486	21.1
93.07050	53.8
93.07643	2.8
95.04986	1.8
95.08615	74.9
97.06535	4.2
97.10141	2.8
99.08061	1.7
105.07042	16.6
107.08600	32.5
109.06519	1.4
109.10165	35.1
111.08083	2.0
117.07046	8.7
119.08596	12.0
121.10153	30.8
123.11713	19.3
131.08585	17.8
133.10132	11.3
135.11710	25.1
137.13295	6.3
142.73068	1.3
145.10132	16.4
147.11729	9.6
149.13277	16.8
151.14845	2.1
159.11703	13.6
161.13234	8.8
163.11136	1.4
163.14864	9.8
165.01837	1.2
173.13252	14.5
175.13419	1.3
175.14803	2.6
177.12715	1.8
177.16391	4.7
179.14374	2.3
187.14801	8.7
191.14218	1.9
196.02528	1.3
201.16414	3.3
204.77960	1.2
205.15845	1.4
215.18037	2.1
221.97865	1.2
233.22617	2.5
243.21106	18.0
261.22153	84.1
279.23230	5.1
332.04712	1.1
335.25842	8.9
353.10193	9.7
353.26962	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	353.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
53.36607	0.5
53.78661	0.5
55.01862	0.9
55.05516	3.4
56.96561	1.0
57.03427	1.6
61.02925	1.1
65.03923	1.0
67.05520	3.3
69.03432	16.9
69.07070	15.7
69.83293	3.0
70.06599	5.9
71.01359	0.6
71.04987	2.3
72.08146	1.4
73.02902	1.3
74.06073	2.1
77.03954	0.9
79.05494	2.7
81.03404	2.4
81.07071	4.6
83.04983	5.3
83.08604	1.3
84.04495	2.1
84.08151	5.1
85.02907	11.5
85.06544	1.7
86.09705	3.8
91.05492	3.8
91.90759	0.6
93.07037	4.2
95.04974	1.2
95.08611	7.2
97.02896	3.0
97.06519	1.1
97.13884	0.6
97.93290	0.5
98.06068	0.5
99.04444	1.0
100.11224	0.6
103.05455	1.3
105.03387	0.9
105.07029	5.3
107.04927	1.5
107.08607	11.8
109.02883	1.4
109.06506	2.6
109.10151	1.3
110.07229	1.1
111.04423	2.2
111.08080	5.8
112.08726	0.5
119.04843	0.6
119.08574	6.2
120.08092	5.1
121.06510	2.3
121.09448	0.8
121.10162	7.9
123.04424	1.9
123.08077	4.5
127.03909	3.5
129.06966	1.0
129.10223	3.2
130.05049	0.8
131.04890	0.6
131.08571	9.2
133.02864	1.3
133.06482	0.6
133.10126	8.2
135.04472	0.9
135.08061	15.1
135.11667	3.3
136.07584	1.3
137.05997	0.8
137.09549	1.0
143.06053	0.6
143.08542	1.8
144.09375	0.7
145.05034	1.0
145.10121	3.1
147.04398	1.4
147.11676	4.2
149.09622	8.3
149.13312	2.9
150.05481	0.8
150.10356	0.7
151.03870	1.6
157.04889	0.8
157.10068	0.7
158.10907	4.4
159.11584	0.6
161.09534	0.8
163.03929	1.3
163.14839	4.7
165.05418	0.7
173.05928	0.6
173.13263	18.6
175.03911	0.8
175.14806	0.7
179.03395	5.5
191.14314	100.0
192.14694	1.0
201.10175	1.4
207.06514	0.6
218.08224	0.9
218.99719	0.7
236.96907	1.7
254.98056	2.1
289.11728	1.8
316.14923	0.8
335.12430	2.1
353.06631	2.2
353.13315	0.8
353.20078	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	353.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97447	3.4
53.03942	9.4
55.01864	16.1
55.05515	33.5
57.03432	12.5
57.07071	21.5
61.02905	4.0
65.03909	4.2
66.09638	4.3
67.05510	47.1
69.03089	5.3
69.03435	78.0
69.07072	46.2
70.06582	25.4
70.17146	11.9
71.01366	5.1
71.04978	12.5
72.08146	10.5
73.02904	4.5
79.05501	31.9
81.03403	19.6
81.07061	86.3
83.04994	19.5
83.08625	26.0
84.04520	9.3
84.08149	13.8
85.02901	25.9
85.06528	16.2
86.09699	13.1
87.04482	3.9
91.05493	37.5
93.07040	48.1
95.04977	22.0
95.07994	4.2
95.08613	84.2
97.02885	20.1
97.06516	15.3
98.20918	4.8
99.04451	14.2
103.03960	5.8
103.05453	5.5
105.03407	4.0
105.07044	39.8
107.04971	5.1
107.08599	100.0
109.02864	7.3
109.06512	34.7
109.10168	37.4
110.07165	6.8
111.04433	10.7
111.08081	31.1
113.05963	5.3
113.09666	8.5
115.03943	14.0
117.07021	9.3
119.04924	6.9
119.08588	37.9
120.08099	14.7
121.06506	15.0
121.10155	99.2
123.08091	29.0
123.11714	87.7
125.05988	7.5
125.09634	13.3
125.13243	4.1
127.03928	16.4
127.07539	4.1
127.11172	4.7
129.10283	7.7
131.05026	3.5
131.08563	15.1
133.06506	4.9
133.10100	30.0
135.08029	20.8
135.11687	39.9
136.07603	8.4
137.05959	7.9
137.09619	9.8
137.13252	12.4
139.07529	7.2
139.11118	6.3
143.08553	8.0
145.04945	9.2
145.10103	14.9
147.08044	10.0
147.11693	17.3
148.21053	3.6
149.09610	10.1
149.13272	74.6
151.07452	9.9
151.14822	4.3
153.09108	14.6
155.07062	4.6
159.08057	5.0
159.11522	4.3
161.05911	4.0
161.09561	6.7
161.13272	13.6
162.05550	7.9
162.29495	3.7
163.07524	4.6
163.11203	12.2
163.14848	36.8
165.09062	8.3
165.12688	6.4
167.06967	4.0
167.10622	5.4
167.14287	20.1
168.06590	3.7
171.07999	4.6
171.10260	6.6
171.11633	4.6
171.70230	3.5
173.09621	5.9
173.13202	19.4
175.11124	5.0
175.14819	6.8
179.14348	20.8
181.08568	5.1
181.12169	3.9
187.10922	4.9
189.12820	4.1
191.07019	11.6
191.10649	10.0
191.14317	48.0
192.06508	4.5
193.15758	4.7
203.03464	5.2
203.14296	6.4
207.10347	3.8
207.13884	4.5
209.11757	3.7
209.15416	26.6
221.15289	7.6
233.59206	3.5
249.14873	6.1
268.49579	3.7
271.10895	5.0
274.89893	4.3
335.18604	4.8
353.06516	3.9
353.19611	79.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52106	0.6
53.03951	0.8
55.01860	0.5
55.05511	1.5
55.59310	0.6
57.03428	2.0
57.07074	1.0
67.05497	1.0
68.77476	0.6
69.03435	14.9
69.07071	15.0
70.06575	1.7
70.16335	1.7
70.16722	1.2
71.04985	1.5
71.75829	0.6
73.02917	1.1
79.05480	2.6
81.03410	1.4
81.07050	3.9
83.04991	3.4
83.08600	1.7
84.08150	1.5
85.02916	11.3
85.06545	1.0
86.09717	1.1
87.04480	0.7
91.05486	3.2
93.07043	4.2
95.04952	1.4
95.08617	4.7
97.02896	2.1
97.06519	1.0
99.04427	0.9
101.02428	0.6
102.03603	0.7
105.07027	5.0
107.04971	1.4
107.08593	9.2
109.02891	1.2
109.06519	2.6
109.10148	1.3
111.04433	1.6
111.08099	5.9
117.07085	0.8
119.08598	6.0
120.08100	1.3
121.02831	0.8
121.06529	1.4
121.10155	5.6
123.04435	1.0
123.08067	4.4
127.03900	2.7
129.05502	0.7
131.08563	7.8
133.10136	9.2
135.08060	14.1
135.11717	3.3
137.09647	1.0
143.08568	1.7
145.10106	2.9
147.04445	0.8
147.11700	3.7
149.09639	8.2
149.13260	2.7
158.10899	3.1
163.14847	2.8
173.13280	14.8
175.14819	1.1
176.11905	0.9
179.03413	2.7
191.14320	100.0
192.14709	1.7
236.96991	1.0
250.14690	0.7
254.98073	1.5
335.12643	0.6
353.06638	1.2
353.19635	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	353.1386
Annotation	Puemiricarpene
Peak:m/z	Relative Intensity
51.85994	0.6
54.76137	0.6
55.01868	0.7
55.05495	2.7
55.56910	0.7
57.03436	0.7
57.07063	0.9
65.65832	0.6
67.05508	6.1
67.81536	0.6
69.07072	38.5
69.83953	2.9
71.08607	1.8
79.01855	5.0
79.05488	3.8
81.07066	7.5
83.04972	2.6
83.08602	0.8
85.06503	0.6
91.05475	2.6
93.07049	4.1
93.15517	0.6
95.08619	4.5
97.10147	0.7
99.08095	2.2
105.07019	2.3
107.08595	2.3
109.10159	2.5
117.07011	0.8
119.08567	1.2
121.10138	1.6
123.11733	0.9
131.04965	1.0
131.08557	1.2
133.10104	1.0
135.04436	1.6
135.11755	1.4
137.13235	0.6
145.02884	1.1
145.10129	1.3
147.11678	1.0
149.13315	0.8
150.19321	0.6
153.07019	0.7
159.11681	0.7
163.03903	1.5
163.14793	1.0
165.01830	1.2
165.12715	1.1
167.03404	5.6
171.07991	0.9
173.13257	1.2
181.06516	0.7
185.09723	0.6
199.07544	1.1
203.03468	1.1
213.09151	1.6
214.06140	0.7
225.05443	0.8
226.06320	2.9
227.07080	0.8
229.08643	3.7
241.08595	2.6
242.05754	1.6
243.21129	1.1
254.05695	3.5
255.06630	0.8
257.08112	2.1
261.22174	4.8
267.06494	1.0
269.08115	11.1
273.07648	0.7
282.05267	2.2
285.07593	56.8
286.07825	1.1
297.07593	100.0
298.08005	1.5
335.27667	1.2
353.13858	46.0
353.26639	2.5
354.14215	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44602	0.7
55.05518	11.7
56.60910	0.6
62.39779	0.7
63.60102	0.7
65.26598	0.7
67.05506	3.3
69.07041	0.9
69.91129	0.8
71.44328	1.0
79.05495	2.1
81.07068	3.5
83.04987	100.0
87.53190	0.7
88.47236	0.9
91.05489	2.3
93.07040	2.0
95.08630	1.9
107.08607	1.8
109.06535	2.5
109.10176	1.7
117.07079	0.7
121.10156	0.9
123.11700	1.3
131.04913	4.0
131.08559	0.8
133.10126	1.1
135.11702	0.8
147.04424	11.2
151.11252	1.3
159.04445	3.6
159.11668	0.9
175.03978	1.4
203.03410	52.4
261.22284	2.6
285.09937	0.8
313.96585	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1384
Annotation	Alisiaquinone A
Peak:m/z	Relative Intensity
51.02368	0.4
51.31651	0.4
53.03946	1.0
55.01873	0.5
55.05510	1.1
56.96581	0.4
59.05007	0.4
61.43518	0.4
65.03927	0.5
67.05485	1.7
69.07053	1.1
70.06613	0.7
70.66285	0.8
79.05489	1.7
81.07069	4.0
83.04997	1.2
91.05482	5.6
93.07049	6.7
95.04956	0.9
95.08627	1.4
96.50970	0.5
103.05460	1.5
105.07032	1.6
105.74219	0.4
107.08590	1.7
109.06514	0.7
109.10146	1.4
119.04934	1.6
119.08618	0.8
121.10158	0.6
123.11697	1.4
125.09638	0.5
131.04930	7.3
133.10149	0.8
135.11664	0.7
145.10213	0.7
147.04424	18.9
151.11176	0.6
155.57518	0.6
159.04425	7.0
175.03955	2.7
187.03922	0.5
201.01900	0.6
202.02660	0.9
203.03410	100.0
204.03816	0.9
215.03455	1.3
229.12428	0.4
297.03952	0.7
297.07178	0.5
353.10193	1.3
353.13895	1.2
353.25366	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.102
Annotation	Anagyroidisoflavone B
Peak:m/z	Relative Intensity
50.15256	0.2
50.23716	0.2
51.51840	0.3
53.03931	0.4
53.69463	0.3
55.01865	1.2
55.05519	1.4
57.03429	0.3
57.07080	0.3
59.04987	0.6
62.11765	0.2
65.03922	0.8
66.14208	0.2
67.05509	2.3
67.40874	0.3
68.99792	2.2
69.03433	2.1
69.07056	1.0
70.06577	1.1
71.01367	0.3
71.05002	0.5
71.48927	0.4
71.66892	0.2
72.08160	0.4
77.03935	0.3
79.05499	2.1
81.03424	1.7
81.07060	4.4
83.04977	1.0
84.08175	0.4
85.02919	0.7
85.06535	0.4
86.09720	0.4
91.05472	1.6
92.99758	0.3
93.07054	3.0
95.04977	1.4
95.08604	2.1
97.02908	0.4
97.06511	0.4
97.10153	0.4
99.04450	0.9
103.05486	0.6
105.03375	1.0
105.07028	4.9
107.04949	2.0
107.08586	2.6
109.02874	1.1
109.06521	3.0
109.10156	1.4
111.04434	0.4
111.08098	0.5
115.05430	0.4
117.07027	1.5
119.04903	0.5
119.08595	1.6
120.08086	0.4
121.02853	1.1
121.06522	1.2
121.10153	1.9
123.00803	0.4
123.04434	0.9
123.08091	1.8
123.11752	0.5
125.09623	1.9
125.57426	0.2
127.03880	0.4
127.07535	0.3
128.06297	0.3
129.07011	0.9
131.04921	1.1
131.08565	0.7
133.02855	0.4
133.06519	0.7
133.10123	2.0
134.03641	1.3
135.04402	1.6
135.08055	1.1
135.11684	0.6
137.02345	1.0
137.06035	0.4
137.09642	0.7
139.07571	0.3
139.11226	0.4
141.01833	1.0
145.06496	1.5
145.10100	1.1
147.04422	0.9
147.08009	0.3
147.11678	0.8
148.05153	0.6
148.11201	0.9
149.02356	2.6
149.05984	1.2
149.09579	0.6
151.03903	0.6
151.07547	0.8
151.11192	0.4
153.05493	0.3
155.08534	0.5
155.49762	0.3
157.06497	0.6
157.10165	0.5
159.04466	0.5
159.08131	0.3
161.02345	3.6
161.06029	0.6
161.09653	1.1
161.13167	0.3
162.03070	0.4
163.03876	0.7
163.07556	0.6
163.11189	2.4
163.30765	0.2
165.01840	7.6
165.07018	0.4
165.09171	0.3
166.07764	0.3
167.03415	1.1
167.07071	0.6
169.02646	0.5
169.06427	0.4
171.04483	0.4
171.08029	0.5
173.02354	0.3
173.06030	1.1
173.13274	0.3
175.03882	0.5
176.01062	0.5
176.04709	1.1
177.01825	3.8
177.05464	1.9
179.03346	0.4
179.08429	0.3
179.10684	1.1
181.06467	0.4
181.12244	0.4
182.15491	0.3
183.02881	3.1
183.08124	0.3
185.05992	0.8
189.01875	1.1
189.05479	0.5
189.08972	0.3
189.12830	0.3
190.02658	2.3
190.07767	0.4
191.03429	2.0
191.07053	2.9
191.08676	0.5
191.10593	1.3
191.14346	0.3
195.02870	0.4
195.06511	0.7
195.08060	0.4
195.11676	0.3
199.03989	0.3
199.07600	0.7
200.04814	0.4
201.05428	2.5
203.03400	1.3
203.08592	0.3
204.04224	2.9
204.06027	0.4
205.10233	0.3
205.12343	0.3
208.03697	0.8
209.09654	0.5
209.11650	0.4
213.05478	1.5
215.03407	1.2
215.06833	0.3
215.08688	0.4
217.04945	0.6
218.07291	0.8
219.06519	13.1
222.05182	0.6
225.05376	0.4
227.07057	0.5
229.04913	1.6
229.08681	0.3
232.08829	0.4
233.09535	0.9
234.06598	0.3
235.07591	0.5
236.08304	0.4
237.05467	0.4
237.07338	0.6
237.09354	0.6
241.05013	2.5
243.06441	0.5
246.06789	0.4
247.07701	0.4
249.09070	0.3
250.06160	0.5
251.07150	0.4
251.10652	0.5
253.04936	0.9
254.05789	0.5
255.06555	1.8
255.10257	2.5
260.08484	0.4
261.09128	1.4
263.07233	0.6
263.10718	0.3
264.07846	0.7
265.04993	0.8
265.08582	1.7
267.06534	0.8
268.07330	0.9
271.05835	0.4
274.06113	0.4
277.05045	0.4
277.08609	0.7
278.05771	0.4
278.09229	0.6
279.06665	0.3
279.10208	1.3
281.04443	3.0
283.06110	1.1
283.09662	4.5
289.08545	1.1
291.06467	0.4
292.07324	0.9
292.10657	0.5
293.04510	0.8
293.08148	1.0
293.11725	1.0
295.05957	0.4
297.07782	0.4
297.11246	0.8
299.05493	5.8
305.04468	0.4
306.05182	0.9
306.08411	0.4
307.06241	0.4
307.09665	1.0
309.11377	0.4
311.05457	3.7
311.09180	1.7
317.08014	1.1
317.20950	0.3
319.06100	0.9
320.06805	1.3
321.07651	0.5
321.11227	1.6
322.11899	0.3
323.05365	0.5
324.06113	0.4
325.07019	1.3
325.10776	0.9
335.09116	5.0
335.22253	0.7
337.07126	0.6
338.07947	1.6
338.11469	0.5
353.10187	100.0
353.13751	4.0
354.10522	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	353.1022
Annotation	3,5,6-Trimethoxyfurano[2,3:7,8]flavone
Peak:m/z	Relative Intensity
55.05511	0.4
67.05510	2.5
68.99800	1.6
69.07063	0.4
69.59544	1.5
69.59947	0.6
79.05516	1.6
79.50109	0.3
81.07070	4.9
83.04993	0.5
83.08627	0.4
87.19884	0.3
91.05493	1.1
91.99437	0.3
93.07053	1.8
94.07403	0.4
95.04977	1.0
95.08607	2.0
97.10189	0.3
105.07052	1.6
107.04948	1.1
107.08594	1.1
108.53809	0.3
109.06542	1.5
109.10163	0.9
113.51746	0.3
117.07030	1.1
117.92310	0.3
119.08611	0.9
119.21451	0.3
121.10146	0.8
123.04444	2.7
123.08111	0.6
131.08571	0.8
133.10123	0.5
135.04430	1.0
135.11688	0.5
137.02327	0.7
141.06915	0.3
145.06503	1.4
145.10130	0.5
149.02327	0.7
149.05988	1.1
151.03883	0.9
157.06444	0.4
159.11624	0.5
161.02356	0.9
161.05994	0.4
163.14847	0.4
165.01845	0.8
167.03490	0.4
171.08138	0.4
172.05254	0.3
173.05989	0.9
173.13402	0.4
175.03900	0.4
175.07570	0.8
176.04716	1.0
177.01837	1.7
177.05489	1.5
179.03429	0.5
181.10077	0.3
185.06056	0.4
187.03859	0.4
189.05478	0.9
190.06180	0.6
191.03418	1.4
191.07062	0.6
195.06448	0.4
197.05965	0.9
200.04689	1.0
201.05482	2.3
203.03413	2.8
204.04263	0.5
213.05513	0.6
213.09006	0.3
217.05034	0.4
219.06532	6.9
219.63516	0.3
229.04922	0.6
237.09294	0.7
243.21109	0.5
251.10745	0.4
255.06551	0.3
255.07759	0.4
255.10159	2.5
260.03506	0.4
260.20868	0.4
261.22144	1.9
264.07941	0.5
265.08603	2.3
267.06564	1.3
268.07266	0.9
269.08261	0.4
279.10175	0.6
283.09695	7.0
292.07483	0.5
293.08188	0.5
297.03964	0.5
297.11218	1.0
307.09763	0.9
311.09167	0.7
317.08167	0.7
319.06091	0.6
320.06772	0.7
321.07642	0.8
325.10547	0.6
335.09195	4.8
336.89648	0.3
337.06970	0.9
338.07874	1.6
353.10217	100.0
354.10577	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.102
Annotation	Anagyroidisoflavone B
Peak:m/z	Relative Intensity
50.15256	0.2
50.23716	0.2
51.51840	0.3
53.03931	0.4
53.69463	0.3
55.01865	1.2
55.05519	1.4
57.03429	0.3
57.07080	0.3
59.04987	0.6
62.11765	0.2
65.03922	0.8
66.14208	0.2
67.05509	2.3
67.40874	0.3
68.99792	2.2
69.03433	2.1
69.07056	1.0
70.06577	1.1
71.01367	0.3
71.05002	0.5
71.48927	0.4
71.66892	0.2
72.08160	0.4
77.03935	0.3
79.05499	2.1
81.03424	1.7
81.07060	4.4
83.04977	1.0
84.08175	0.4
85.02919	0.7
85.06535	0.4
86.09720	0.4
91.05472	1.6
92.99758	0.3
93.07054	3.0
95.04977	1.4
95.08604	2.1
97.02908	0.4
97.06511	0.4
97.10153	0.4
99.04450	0.9
103.05486	0.6
105.03375	1.0
105.07028	4.9
107.04949	2.0
107.08586	2.6
109.02874	1.1
109.06521	3.0
109.10156	1.4
111.04434	0.4
111.08098	0.5
115.05430	0.4
117.07027	1.5
119.04903	0.5
119.08595	1.6
120.08086	0.4
121.02853	1.1
121.06522	1.2
121.10153	1.9
123.00803	0.4
123.04434	0.9
123.08091	1.8
123.11752	0.5
125.09623	1.9
125.57426	0.2
127.03880	0.4
127.07535	0.3
128.06297	0.3
129.07011	0.9
131.04921	1.1
131.08565	0.7
133.02855	0.4
133.06519	0.7
133.10123	2.0
134.03641	1.3
135.04402	1.6
135.08055	1.1
135.11684	0.6
137.02345	1.0
137.06035	0.4
137.09642	0.7
139.07571	0.3
139.11226	0.4
141.01833	1.0
145.06496	1.5
145.10100	1.1
147.04422	0.9
147.08009	0.3
147.11678	0.8
148.05153	0.6
148.11201	0.9
149.02356	2.6
149.05984	1.2
149.09579	0.6
151.03903	0.6
151.07547	0.8
151.11192	0.4
153.05493	0.3
155.08534	0.5
155.49762	0.3
157.06497	0.6
157.10165	0.5
159.04466	0.5
159.08131	0.3
161.02345	3.6
161.06029	0.6
161.09653	1.1
161.13167	0.3
162.03070	0.4
163.03876	0.7
163.07556	0.6
163.11189	2.4
163.30765	0.2
165.01840	7.6
165.07018	0.4
165.09171	0.3
166.07764	0.3
167.03415	1.1
167.07071	0.6
169.02646	0.5
169.06427	0.4
171.04483	0.4
171.08029	0.5
173.02354	0.3
173.06030	1.1
173.13274	0.3
175.03882	0.5
176.01062	0.5
176.04709	1.1
177.01825	3.8
177.05464	1.9
179.03346	0.4
179.08429	0.3
179.10684	1.1
181.06467	0.4
181.12244	0.4
182.15491	0.3
183.02881	3.1
183.08124	0.3
185.05992	0.8
189.01875	1.1
189.05479	0.5
189.08972	0.3
189.12830	0.3
190.02658	2.3
190.07767	0.4
191.03429	2.0
191.07053	2.9
191.08676	0.5
191.10593	1.3
191.14346	0.3
195.02870	0.4
195.06511	0.7
195.08060	0.4
195.11676	0.3
199.03989	0.3
199.07600	0.7
200.04814	0.4
201.05428	2.5
203.03400	1.3
203.08592	0.3
204.04224	2.9
204.06027	0.4
205.10233	0.3
205.12343	0.3
208.03697	0.8
209.09654	0.5
209.11650	0.4
213.05478	1.5
215.03407	1.2
215.06833	0.3
215.08688	0.4
217.04945	0.6
218.07291	0.8
219.06519	13.1
222.05182	0.6
225.05376	0.4
227.07057	0.5
229.04913	1.6
229.08681	0.3
232.08829	0.4
233.09535	0.9
234.06598	0.3
235.07591	0.5
236.08304	0.4
237.05467	0.4
237.07338	0.6
237.09354	0.6
241.05013	2.5
243.06441	0.5
246.06789	0.4
247.07701	0.4
249.09070	0.3
250.06160	0.5
251.07150	0.4
251.10652	0.5
253.04936	0.9
254.05789	0.5
255.06555	1.8
255.10257	2.5
260.08484	0.4
261.09128	1.4
263.07233	0.6
263.10718	0.3
264.07846	0.7
265.04993	0.8
265.08582	1.7
267.06534	0.8
268.07330	0.9
271.05835	0.4
274.06113	0.4
277.05045	0.4
277.08609	0.7
278.05771	0.4
278.09229	0.6
279.06665	0.3
279.10208	1.3
281.04443	3.0
283.06110	1.1
283.09662	4.5
289.08545	1.1
291.06467	0.4
292.07324	0.9
292.10657	0.5
293.04510	0.8
293.08148	1.0
293.11725	1.0
295.05957	0.4
297.07782	0.4
297.11246	0.8
299.05493	5.8
305.04468	0.4
306.05182	0.9
306.08411	0.4
307.06241	0.4
307.09665	1.0
309.11377	0.4
311.05457	3.7
311.09180	1.7
317.08014	1.1
317.20950	0.3
319.06100	0.9
320.06805	1.3
321.07651	0.5
321.11227	1.6
322.11899	0.3
323.05365	0.5
324.06113	0.4
325.07019	1.3
325.10776	0.9
335.09116	5.0
335.22253	0.7
337.07126	0.6
338.07947	1.6
338.11469	0.5
353.10187	100.0
353.13751	4.0
354.10522	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	353.1021
Annotation	Yinyanghuo E
Peak:m/z	Relative Intensity
55.05489	1.4
60.04539	0.8
61.61470	0.7
65.03940	1.0
66.38599	0.8
67.05496	2.4
68.99770	1.4
70.78332	1.2
70.78688	1.6
73.39970	0.7
74.00848	0.9
79.05491	1.8
81.07070	3.7
83.04968	1.0
91.05479	1.9
93.07029	2.4
95.04933	1.6
95.08612	1.5
96.05389	0.8
96.70639	0.7
97.26174	0.7
105.07026	2.2
107.01267	0.9
107.04954	0.8
107.08576	1.4
109.06493	1.3
109.10121	0.8
111.76810	0.8
117.06972	0.9
121.02874	1.9
123.08067	1.5
127.19933	0.7
131.04953	1.2
131.80174	0.7
133.10068	1.0
135.04416	0.8
138.91447	0.7
141.07016	1.4
147.04453	0.9
147.11664	0.8
149.02461	1.0
157.06474	3.5
165.01926	0.8
169.06526	1.3
171.04314	0.8
177.01831	1.9
185.05994	6.6
187.03934	2.8
197.05988	1.8
203.03404	2.6
213.05460	11.5
215.03407	1.3
219.06522	3.4
232.24400	0.8
237.07541	5.5
241.04962	19.5
243.03012	1.0
255.06532	1.6
269.04459	22.1
280.32913	0.8
283.06131	1.9
293.22964	1.2
295.06183	0.8
297.03949	100.0
298.04227	2.4
311.05811	1.6
315.73163	0.8
323.05493	2.6
325.10706	8.4
335.09332	1.7
337.07068	1.6
353.10202	29.8
353.25006	2.7
354.10535	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0849
Annotation	4-Methylumbelliferyl beta-D-glucuronide
Peak:m/z	Relative Intensity
55.60683	1.2
56.96545	1.3
66.00054	1.0
70.13515	3.6
70.13936	2.1
80.72643	1.3
103.68753	1.2
131.10483	1.2
137.12625	1.1
149.38344	1.4
159.44527	1.4
172.97508	1.2
190.98709	1.7
201.14299	1.1
273.37097	1.3
353.08466	100.0
354.08954	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.8
55.01867	3.2
55.05513	13.1
56.05026	6.1
57.03429	1.7
58.06594	3.4
60.04532	15.1
65.03963	1.9
67.05510	36.3
68.05029	2.8
69.07071	34.1
69.21799	7.1
69.22223	6.1
70.06584	3.2
71.04987	2.0
79.05490	27.0
80.05019	28.5
81.03409	2.6
81.05792	2.3
81.07056	25.1
81.82679	1.4
82.06583	5.4
83.04949	2.4
83.08614	6.9
84.08133	3.2
85.06529	1.5
91.05482	25.5
92.04974	2.4
93.05776	2.3
93.07049	22.5
94.06013	2.6
94.06567	23.4
95.04971	4.6
95.07350	3.6
95.08609	19.9
96.08133	1.9
97.06529	4.8
97.10175	4.9
98.09724	1.7
98.21464	3.2
105.07037	30.3
106.06556	2.7
107.04968	2.6
107.08601	19.7
108.08113	9.9
109.10183	10.6
111.08105	1.6
117.06999	7.7
119.08590	20.8
120.08121	3.5
121.06493	2.7
121.10171	8.7
122.09686	2.7
123.08097	1.8
124.11235	2.2
125.09628	3.7
129.07028	2.6
131.08556	7.8
133.10144	19.0
134.09709	2.2
135.08090	1.9
135.11691	4.7
136.11235	2.4
137.09631	3.0
143.08519	1.9
145.10118	8.9
147.11696	13.5
147.59497	1.4
148.11171	3.2
149.09642	2.3
149.13263	2.1
150.12740	1.9
153.03545	1.4
154.12282	10.2
157.10133	1.8
159.11728	6.6
161.12025	1.6
161.13280	4.3
163.11153	4.4
164.14368	1.7
168.13847	3.7
169.10135	1.7
171.11768	2.3
172.13364	7.0
173.13268	2.4
176.14447	3.3
177.12758	4.2
179.14346	2.2
180.13889	1.6
183.11758	2.3
187.88850	1.5
189.11217	2.1
189.12758	1.7
192.13884	2.3
196.13359	3.5
204.13849	26.9
206.15421	6.5
207.13797	1.5
210.14827	5.3
222.14900	36.8
223.15596	2.9
224.16481	5.8
236.16533	2.2
257.19086	12.2
272.20288	2.7
274.21609	18.5
275.20062	41.9
290.21155	6.6
292.22717	100.0
293.20969	4.5
310.23782	2.4
316.22659	4.9
334.23715	18.9
352.24872	62.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88164	1.8
53.03943	2.5
55.01853	2.1
55.05510	8.8
56.05034	5.9
57.07069	2.1
58.06607	100.0
60.04537	19.7
63.62272	1.7
67.05515	23.2
69.03397	2.0
69.07075	8.7
70.06587	3.3
72.08145	2.1
78.58612	1.8
79.05502	28.6
81.07065	14.3
83.08639	1.8
91.05492	29.1
93.07053	17.0
94.06558	2.8
95.08627	9.7
98.20748	2.2
100.07627	41.6
105.07043	27.6
106.07375	2.4
107.08610	8.3
108.08157	2.6
109.10183	11.5
117.07021	6.0
119.08610	12.5
121.10149	26.5
129.07025	4.8
131.08591	15.0
133.10141	35.5
137.05917	3.7
137.09590	2.3
145.10159	6.3
147.11705	3.9
154.12285	21.5
159.11739	5.1
171.11737	3.1
172.13329	12.0
173.11697	3.1
173.13222	2.6
180.13745	11.0
196.13342	7.5
197.13376	3.2
214.14366	2.5
239.17929	8.3
257.19006	10.0
275.20065	19.6
292.22687	11.0
322.15433	2.4
334.23883	3.6
352.21252	1.7
352.24936	41.7
353.24741	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	352.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.7
55.01873	1.5
55.05519	6.4
56.05043	16.7
57.03435	1.6
58.06606	22.0
60.04526	10.9
67.05187	1.8
67.05508	27.0
69.03426	1.4
69.07074	10.6
70.06597	2.4
71.04977	2.9
71.09144	2.2
77.30064	1.1
79.05502	16.1
80.05011	2.7
81.07063	15.1
83.04964	2.0
83.08614	2.4
84.08163	1.8
91.05489	16.3
93.07052	13.7
94.06575	3.1
95.04983	3.1
95.08073	1.5
95.08620	15.5
97.10164	1.9
100.07621	10.6
101.69358	1.5
103.98249	1.1
105.07036	15.6
107.04951	1.6
107.08610	7.4
109.06530	2.0
109.09475	1.9
109.10168	23.3
111.08083	2.8
111.11729	2.5
117.07024	2.2
119.08590	15.0
121.10145	9.5
123.08047	1.9
125.09640	3.1
126.12770	1.4
129.07013	2.2
129.10350	1.2
131.08563	6.5
133.10152	12.4
135.11699	1.4
136.11205	4.1
137.06006	1.9
137.09618	11.3
145.10155	2.9
147.11696	4.4
154.12282	100.0
155.10721	1.3
159.11720	4.0
163.11148	2.1
163.50394	1.1
165.09216	1.5
168.13876	1.3
171.11711	1.5
172.13347	46.3
173.11705	3.8
173.13196	2.1
180.13942	2.9
189.11276	1.5
196.13338	40.7
197.13478	1.7
204.13892	3.1
214.14418	9.5
222.14819	1.7
239.17990	2.1
247.20541	2.1
257.19067	4.5
274.21625	3.2
275.20071	16.0
292.22678	14.0
293.21042	3.2
316.22797	1.5
334.23816	5.9
352.12900	2.8
352.24884	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.9
55.01876	6.3
57.03440	5.2
61.02932	5.9
69.03140	2.9
69.03440	30.7
69.07073	99.4
69.23029	11.7
69.23462	14.7
71.04998	6.5
73.02917	6.3
74.99918	2.6
81.03429	25.6
85.02911	99.6
86.09721	7.1
87.00835	51.0
88.36469	2.9
97.02898	71.8
97.30087	3.0
99.04458	16.4
105.01872	100.0
109.02889	25.7
111.08111	3.5
117.01858	3.5
127.02979	4.8
127.03922	92.7
129.01874	3.7
135.04395	3.9
145.04976	68.4
159.02885	17.1
163.03967	5.5
189.04056	4.6
195.10100	3.2
208.91681	2.5
231.04948	24.9
247.55104	3.0
249.06058	14.2
285.56778	3.4
297.07626	7.2
325.07166	22.2
342.64041	3.2
353.06592	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	8.1
55.01864	7.8
55.05503	16.4
56.05037	10.0
57.03447	5.0
57.27354	3.8
57.45403	4.0
60.04520	17.1
61.02920	8.6
62.70643	4.2
63.25853	3.9
67.05501	9.8
68.99783	4.7
69.03439	41.2
69.07072	85.9
70.06596	40.2
71.04978	8.1
71.47397	5.8
72.08163	90.8
73.02912	9.3
74.06074	8.4
75.65498	4.2
81.03413	19.5
81.07038	5.8
83.04985	7.9
84.04505	15.6
84.08147	34.6
85.02911	100.0
86.09708	58.0
87.00833	49.7
91.05486	11.9
93.07036	8.6
97.02893	63.7
98.97630	4.5
99.04452	17.5
102.05527	5.1
105.01194	7.5
105.01874	89.3
105.07015	10.6
107.04962	9.1
109.02915	27.6
109.10139	10.7
110.07160	15.8
118.39325	4.4
119.04925	6.1
119.08612	4.9
120.01166	6.6
120.08134	52.0
125.61858	4.1
127.03938	81.2
129.01819	5.1
129.10251	22.6
130.04974	4.8
131.04907	9.0
136.06189	68.5
136.07567	65.5
137.09608	4.8
145.04956	50.8
145.83940	5.3
155.10658	7.8
159.02951	8.7
159.11310	14.2
166.08615	21.2
187.10759	11.9
193.09767	28.0
202.10916	8.4
213.03784	5.7
220.11940	65.9
221.09326	5.0
231.05074	24.7
249.05997	8.4
253.11916	19.2
289.11884	8.6
294.08289	4.7
301.22617	5.0
335.12430	15.0
343.71664	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	352.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	15.9
55.42452	4.8
56.05034	11.2
57.03437	5.3
59.05000	5.8
59.89512	4.7
60.04517	17.1
61.02900	4.6
69.03435	34.5
69.07075	66.2
70.06596	38.0
72.08159	100.0
73.02910	6.5
73.66753	4.1
74.06068	7.9
79.05498	5.2
81.03405	23.3
81.07059	5.0
83.04940	8.4
83.06127	4.8
84.04494	15.7
84.08154	42.7
85.02908	62.9
86.09711	46.3
87.00835	35.3
91.05499	16.7
93.07057	5.4
97.02895	58.9
99.04456	10.6
103.05481	5.3
104.05317	8.1
105.01865	72.0
105.07019	5.9
107.85420	4.2
109.02882	23.6
109.10180	8.3
110.07185	14.2
111.08154	4.1
119.04974	9.9
120.08106	56.4
123.12655	4.3
127.03911	70.2
129.10231	17.5
131.04962	6.1
132.10211	4.2
136.06206	42.9
136.07581	71.6
137.09639	6.7
140.58902	4.2
145.04959	51.3
147.04440	10.6
149.07524	4.2
155.10631	10.5
159.02911	10.6
159.04652	5.2
159.07988	4.6
159.09282	4.8
159.11319	12.1
165.17259	4.3
166.08643	26.2
187.10814	14.9
193.09726	38.1
201.73918	4.9
220.11914	43.6
221.09293	6.1
231.05013	24.5
249.06114	14.4
253.11786	25.0
268.04193	4.7
289.11978	5.8
335.12564	7.6
352.13065	10.5
353.06570	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	352.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.9
53.30075	2.4
55.01868	6.7
56.59293	2.2
57.03437	4.5
60.04522	6.3
61.02918	6.2
65.62643	2.0
69.03434	35.3
69.07071	92.0
70.06596	4.8
70.91985	5.1
70.92332	3.9
71.04982	5.2
72.08162	14.7
73.02926	6.7
74.06070	3.0
81.03420	22.5
84.08146	9.9
85.02910	91.3
86.09713	14.1
87.00840	42.1
97.02897	60.9
97.94297	2.9
99.04414	11.4
105.01871	83.0
108.04475	3.5
109.02876	24.7
117.01856	3.4
120.08070	4.8
121.06520	2.4
124.77391	2.4
127.03925	100.0
129.01855	2.8
129.09377	2.4
129.10182	11.4
145.04964	61.3
147.02847	3.6
159.02898	12.0
159.11313	14.0
213.04007	2.5
231.05029	25.3
249.05975	11.7
261.31677	2.4
297.07639	4.6
298.31308	2.5
325.07132	10.5
325.42319	2.4
352.08932	5.6
353.06610	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	352.1505
Annotation	Phe-Ala-Asp
Peak:m/z	Relative Intensity
55.05516	0.5
56.05026	0.7
60.04501	0.4
67.05498	0.5
69.03413	0.4
69.07067	0.3
70.06588	2.8
72.08162	2.4
73.60216	0.2
74.06068	0.4
79.05467	0.2
83.04997	0.7
84.04510	8.6
84.08150	2.3
85.02902	0.6
85.08440	0.3
86.09712	2.8
90.75156	0.3
91.05456	1.3
93.03418	0.2
93.07063	1.2
95.04964	0.5
97.02907	0.3
99.05596	0.3
102.05578	0.6
103.05473	3.4
105.07030	0.7
107.08598	0.2
110.07158	0.7
110.97566	0.3
111.04424	0.5
112.08710	0.3
116.07097	0.5
120.08109	100.0
121.08447	2.1
123.04487	0.4
128.93385	0.3
129.10243	1.4
130.05006	1.5
130.06534	0.5
130.08693	0.4
131.05000	0.3
131.08588	0.2
132.08144	0.3
135.04398	0.3
136.07574	1.5
137.06032	0.4
140.06992	0.2
147.04416	0.3
155.06995	0.3
158.06670	0.2
159.07913	0.4
163.03969	0.9
164.07039	0.4
166.08633	0.4
179.03438	0.7
180.98041	0.2
185.10747	0.3
186.09167	2.5
187.07309	0.3
190.08621	0.4
205.09636	0.3
206.08167	0.4
212.98610	0.9
219.15001	0.5
222.07625	0.4
223.10776	15.5
226.96460	0.4
231.11340	0.4
232.09666	0.3
234.96924	0.5
235.97221	1.0
252.97925	0.6
253.98268	1.5
254.98170	0.6
259.10843	0.5
261.98749	0.4
277.11865	2.4
279.99603	0.6
288.65256	0.3
289.11960	0.5
291.42841	0.2
318.10120	0.2
328.99792	1.0
334.10815	0.5
335.12509	1.0
352.15015	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	2.7
53.03949	4.2
53.80566	2.2
55.01875	8.4
55.05519	32.8
57.03440	34.2
57.07081	4.1
65.03945	5.3
67.05511	86.8
69.07074	27.8
69.72346	13.5
71.04996	3.7
71.08635	9.0
75.04456	2.7
78.40438	2.3
79.05502	72.7
81.03466	3.1
81.07064	95.6
83.04986	6.4
83.08624	15.6
85.06558	7.5
91.05489	71.2
93.07051	100.0
95.04964	8.7
95.08615	62.7
97.06529	6.9
97.10159	6.2
99.08104	10.5
103.05484	4.7
105.04561	2.9
105.07039	71.4
107.08604	62.2
109.06516	5.9
109.10170	23.3
111.08094	6.4
113.09619	3.3
117.07063	17.8
119.08597	49.0
121.10156	52.0
123.08083	2.3
123.11718	7.1
125.09607	3.9
126.29817	2.0
129.07007	8.2
131.00029	2.7
131.08589	24.5
133.10143	50.5
135.11693	34.4
137.09634	6.1
137.13135	3.5
139.11198	2.7
140.98492	4.4
143.08609	13.4
145.10167	27.6
147.11697	51.6
149.13274	29.2
151.11212	7.7
157.10155	5.2
159.11707	23.0
161.13266	27.9
163.11182	2.8
163.14848	7.2
165.01981	3.5
165.12871	3.0
171.11665	12.9
173.13228	11.8
175.14821	14.9
177.12727	6.2
179.14337	15.0
185.01112	2.5
185.13284	15.5
187.14865	9.9
189.00639	2.9
199.14835	7.3
205.15947	4.2
213.16486	3.7
221.19142	4.1
231.21132	6.9
235.16908	3.1
241.19508	25.6
259.20593	78.9
277.21652	25.4
295.05847	2.8
327.40231	2.6
333.13577	4.7
333.24475	2.5
351.12476	3.8
351.25375	73.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	2.0
55.01881	2.1
55.05520	17.6
57.07071	3.0
63.79199	1.6
67.05508	34.4
69.07074	11.1
69.83405	4.1
69.83817	7.2
79.05501	50.0
80.59460	2.0
81.07066	38.7
83.08627	5.5
85.06551	2.8
86.17994	1.8
91.05489	51.5
93.07054	73.8
93.07645	3.8
95.04977	2.3
95.08604	31.1
98.20855	3.5
99.08123	2.5
105.07040	56.7
107.08604	38.5
109.06537	2.9
109.10169	10.5
113.09638	2.2
117.07032	14.8
119.08585	50.7
121.10154	26.6
123.11717	3.5
129.07011	6.9
131.08585	22.0
133.10149	44.8
135.08118	2.8
135.11710	34.8
143.08583	8.7
145.10133	20.5
147.08366	1.9
147.11702	43.0
149.09686	2.1
149.13275	21.2
157.10170	7.1
158.59248	2.0
159.11757	17.8
161.13283	36.3
163.14821	5.3
171.11685	10.8
173.13287	10.9
175.14851	14.7
177.12823	2.4
185.13248	11.5
187.14890	2.6
189.12825	3.2
199.14854	5.7
213.16412	3.4
231.17448	3.1
231.21130	7.1
241.19525	29.1
259.20596	100.0
277.21713	3.4
317.51541	1.9
343.77103	2.1
351.25323	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	351.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22339	1.6
53.03950	5.0
55.01868	1.9
55.05511	18.5
57.03432	4.6
57.07083	3.3
65.03934	3.4
67.05185	2.7
67.05511	41.3
69.07072	16.8
70.07961	5.1
70.08367	3.1
70.25116	1.8
71.04979	3.0
73.23508	1.7
75.04481	2.6
79.05499	62.3
79.24360	1.5
80.28657	1.5
81.07063	51.5
81.71752	1.5
83.08614	7.4
85.06544	4.4
91.05489	73.8
93.07049	77.9
93.07642	3.9
95.04957	4.9
95.08617	39.1
97.06540	4.0
97.10188	3.0
98.21503	2.2
99.08104	4.1
105.07037	71.0
107.08601	44.9
109.10167	14.8
111.08044	2.7
117.07011	17.2
119.08596	62.4
121.09330	3.1
121.10158	35.9
123.08052	2.8
123.11695	4.3
125.09686	1.9
128.06174	2.0
129.07019	12.0
131.08586	21.5
133.10146	55.5
135.08084	2.5
135.11710	40.1
137.09633	2.2
143.08563	14.2
145.10129	25.5
147.11694	58.4
149.09639	4.6
149.13272	22.1
155.08585	2.3
157.10161	12.8
159.11710	20.8
161.09621	1.8
161.13264	45.3
163.14842	8.5
168.08264	1.6
171.11710	16.4
173.13264	10.6
175.11215	3.1
175.14848	21.2
177.12810	3.1
181.10049	1.6
185.13292	17.3
187.14821	3.9
189.12720	4.2
199.14853	8.0
203.03329	2.3
203.14229	2.2
213.16399	5.9
215.17999	2.1
217.15953	2.4
217.19643	2.8
231.17386	2.4
231.21060	11.2
241.19530	38.0
241.22006	1.8
259.20602	100.0
267.13754	1.7
277.21600	3.7
285.74280	1.8
327.70590	1.7
333.24356	2.5
351.25586	51.0
352.25372	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	2.6
53.03942	7.4
55.05517	18.1
57.03442	6.5
57.07072	2.3
65.03922	2.7
65.98235	1.9
67.05518	36.8
67.27132	2.0
69.03434	3.2
69.07082	11.7
70.73096	5.1
71.04984	4.6
77.03912	2.4
79.05070	4.1
79.05504	51.9
81.07063	46.9
83.08633	7.7
85.06554	4.1
91.05492	52.9
93.06487	4.0
93.07058	73.9
93.07640	3.9
95.04997	2.5
95.08622	31.8
97.06528	3.1
99.08070	4.3
105.04552	2.0
105.07045	66.3
107.08604	40.6
109.06511	2.6
109.10168	12.1
111.08118	2.1
113.09667	2.5
117.07021	9.8
119.08593	61.6
121.10144	33.7
123.11755	3.3
128.06210	2.5
129.07042	11.5
131.08595	24.4
133.10141	43.4
135.11703	33.6
136.56310	2.1
143.08586	13.2
145.10139	21.5
147.11700	45.6
149.09605	2.8
149.13290	20.7
157.10184	11.5
159.11716	18.3
161.09857	2.6
161.13261	39.0
163.11185	3.4
163.14856	6.3
171.11665	16.9
173.13271	10.9
175.11133	2.9
175.14803	19.5
185.13261	16.0
187.14774	2.9
189.12762	3.7
193.70529	2.1
199.14827	8.8
213.16428	4.6
215.18047	2.7
217.19731	3.3
231.17551	2.7
231.21100	9.3
241.19554	33.4
241.21800	3.3
259.20602	100.0
261.34833	2.6
277.21643	3.1
285.94653	2.4
320.49167	2.1
333.24158	3.0
338.04010	2.3
351.21152	4.5
351.25317	57.3
351.29660	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	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44987	2.8
53.03955	3.0
55.05519	16.9
57.03439	6.4
57.07077	2.8
58.66542	2.4
64.23491	2.3
67.05511	37.5
69.07075	17.5
70.04530	8.2
70.04884	4.5
71.05000	3.8
79.05498	67.5
81.07058	49.8
83.04981	2.8
83.08628	7.6
85.06555	3.9
88.19865	2.3
91.05481	58.4
93.07050	80.3
95.04993	3.1
95.08616	42.2
97.06522	3.2
99.08067	2.9
101.49463	2.3
104.28484	2.1
105.07033	63.3
105.07698	4.4
107.08603	45.4
109.06547	2.7
109.10178	12.9
111.08068	3.7
113.09642	2.5
117.07015	17.6
119.08591	56.1
121.10149	35.7
123.11752	5.5
128.06186	2.4
129.07030	8.4
131.08577	21.4
133.10141	49.3
135.11700	38.2
143.08583	11.2
144.09412	2.7
145.10162	23.3
147.11684	42.7
149.09631	3.7
149.13261	25.1
157.10130	10.5
159.11679	18.8
161.13272	42.2
163.14801	5.7
171.11670	13.8
173.13268	11.6
175.14781	18.1
177.12823	5.4
185.13345	11.7
187.14868	3.8
189.12767	2.8
199.14842	6.0
202.50575	2.4
213.16470	3.0
217.19553	3.2
231.21100	8.8
241.19492	32.5
259.20584	100.0
273.15463	2.7
274.37308	2.4
277.21646	6.4
318.69894	2.4
321.15793	2.5
333.24463	6.6
351.21500	7.6
351.25314	57.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	2.2
53.03944	5.9
54.05547	1.7
55.01864	5.4
55.05511	22.4
57.03434	8.3
57.07062	3.1
58.33915	1.7
65.03936	3.1
67.05509	49.5
69.03419	2.6
69.07072	18.8
69.37926	1.5
69.38289	13.8
71.05002	4.2
75.04481	1.9
79.05500	71.3
81.03408	2.6
81.07065	73.8
83.05000	2.9
83.08634	9.3
84.08150	2.4
85.06532	2.9
91.05489	54.5
93.07052	87.8
93.07648	4.3
95.04971	5.0
95.08618	43.6
97.06532	2.3
97.10168	3.8
99.08092	4.2
103.05479	2.5
104.31125	1.7
105.07044	67.7
107.08603	49.5
109.06519	7.9
109.10180	16.0
111.04461	3.7
111.08076	4.2
113.09654	2.1
117.07027	15.1
119.08598	53.4
121.06563	2.4
121.10144	47.1
123.08106	2.6
123.11732	3.4
125.09609	2.9
129.05492	2.1
129.07045	10.0
129.07854	1.7
130.07811	1.8
131.08586	22.3
133.10149	48.9
135.08060	3.6
135.11702	43.3
137.06001	31.4
137.09668	3.0
143.08574	12.5
145.10144	28.0
147.11708	58.2
149.09633	4.5
149.13269	29.8
151.11143	3.8
157.10133	11.5
159.11691	21.5
161.09622	4.6
161.11993	3.2
161.13281	42.4
163.11240	3.4
163.14859	9.7
171.11710	15.9
173.13269	10.4
175.11237	7.2
175.14835	19.7
177.12726	3.5
185.13281	14.3
187.14816	4.8
189.12717	2.9
199.14848	7.4
201.16469	2.6
203.14366	2.9
203.17999	2.2
213.16457	5.2
215.18033	3.9
217.19548	5.7
221.15439	2.0
231.17427	6.4
231.21117	8.0
241.19518	36.5
249.18562	3.4
259.20587	100.0
260.20721	1.9
277.18494	11.7
277.21536	15.6
292.22614	2.5
333.24326	10.3
351.08533	2.6
351.12250	2.5
351.21384	14.2
351.25339	74.3
352.25336	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13746	2.0
53.03947	4.3
55.05508	15.4
55.32440	2.3
57.03436	5.2
57.07064	2.5
67.05181	3.1
67.05511	41.2
69.07078	13.9
70.06063	4.3
70.57990	2.3
71.04993	2.4
72.04675	1.8
79.05499	74.5
81.07066	46.2
83.08624	7.5
85.06528	3.2
85.80741	2.3
91.01292	2.6
91.05488	56.0
93.07053	81.1
95.08614	34.2
97.06540	2.3
97.10150	3.5
99.08096	5.1
105.07040	59.1
107.08607	48.1
109.10178	13.5
111.29854	2.6
117.07018	11.1
119.08595	51.4
121.10165	38.1
123.08077	3.3
123.11703	3.9
129.07004	8.9
131.08588	18.0
133.10133	47.2
135.11700	36.1
143.08571	8.6
145.10121	23.3
145.93732	2.2
147.11711	55.6
149.09599	2.7
149.13275	23.7
157.10106	8.9
159.11732	20.6
161.09621	2.7
161.13281	33.1
163.11156	4.3
163.14832	8.8
171.11766	11.1
173.13257	9.8
175.14789	13.6
177.12804	4.7
185.13283	14.6
189.12755	3.2
199.14850	7.6
213.16397	4.3
213.22835	2.3
217.19496	3.2
231.17433	4.1
231.21036	7.5
241.19551	33.8
246.62511	2.2
259.20596	100.0
260.55136	2.2
260.71381	2.3
277.21671	9.3
304.15335	1.9
309.07547	4.6
333.24216	4.8
351.12201	2.9
351.18491	4.7
351.25375	61.0
352.25662	2.9
364.99133	2.1
369.19467	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.0
55.01876	7.0
55.05525	7.4
56.20059	1.0
57.03419	4.6
57.07067	1.1
57.96421	0.9
64.31641	1.0
67.05515	7.6
69.03416	1.4
69.07063	5.3
69.81817	6.1
69.91558	1.1
70.75431	1.0
71.05003	1.4
71.08647	1.3
76.17036	1.1
79.05502	11.9
81.07069	36.7
83.04967	1.4
83.08616	2.1
87.65406	1.1
89.48393	1.1
91.05494	6.8
93.07037	8.1
95.04959	1.1
95.08621	8.8
97.06528	2.1
97.27154	1.2
97.78478	0.9
98.09755	1.1
98.21448	1.3
98.30959	1.2
105.07013	8.4
107.08611	7.2
109.06528	12.9
109.10136	4.5
111.04456	14.9
119.08588	7.2
121.10142	5.9
123.08096	1.9
123.11713	2.5
125.05988	4.7
131.08540	3.9
133.10150	5.9
135.08051	3.9
135.11697	6.4
137.05994	100.0
137.13245	1.7
142.72322	1.1
143.08534	1.8
145.10123	2.3
147.11716	6.6
149.09601	2.6
149.13226	2.2
151.07552	2.6
151.11240	1.6
157.10068	1.9
159.11716	1.9
161.09636	5.6
161.13258	4.0
163.11195	3.8
163.14760	1.3
165.09113	1.2
165.12762	1.5
167.10600	1.9
168.52751	1.0
171.11662	2.0
173.13260	1.6
175.11212	3.6
175.14787	1.7
179.10786	1.5
185.13255	1.1
193.12254	2.4
203.17960	5.8
213.16414	3.2
221.18985	2.5
231.17424	12.9
241.15933	1.4
241.19513	1.4
243.33163	0.9
249.18520	11.9
259.20572	4.1
277.18048	39.6
278.18417	1.3
295.19101	2.9
351.08420	1.3
351.12338	2.8
351.21445	8.3
351.25671	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1229
Annotation	Pseudosemiglabrinol
Peak:m/z	Relative Intensity
53.03916	0.8
55.01869	1.5
55.05494	3.4
57.03431	2.2
65.03906	1.0
67.01848	2.7
67.05507	7.4
69.03439	1.1
69.07064	2.4
71.48335	1.4
72.05018	0.9
76.02494	0.9
79.05502	8.4
81.07052	7.4
91.05479	6.3
93.07064	11.3
95.04946	1.2
95.08623	5.4
105.07028	9.5
107.08588	4.1
109.06505	1.5
109.10138	3.0
109.98064	0.8
111.04429	2.7
117.05472	1.9
117.07026	1.6
119.04926	3.0
119.08553	4.5
121.10148	5.7
121.55473	0.9
123.08015	1.3
126.28331	0.8
128.06248	1.2
129.06990	3.3
131.00162	1.2
131.04837	0.9
131.08571	2.2
133.10138	5.0
135.11703	4.6
137.05984	5.9
141.06923	1.1
143.08615	2.2
145.06512	1.1
145.10095	2.7
147.11703	5.5
149.01175	1.3
149.09624	1.4
149.13277	2.2
151.03937	1.3
153.07007	2.3
155.08554	3.9
157.06451	1.7
157.10043	1.4
159.11684	3.3
161.13223	3.1
163.03908	1.1
163.14828	1.2
165.05589	1.6
165.06952	2.3
167.03416	68.5
168.05783	1.1
169.06517	1.6
169.10168	1.1
170.88000	0.9
171.08070	3.5
171.11911	1.1
172.12204	1.1
173.05943	1.1
175.14816	1.2
179.03487	1.6
182.07310	1.2
183.08070	12.2
184.08775	1.2
185.09619	1.7
185.13396	1.2
187.07574	1.1
193.05013	5.2
211.07556	6.7
225.09085	1.6
238.06311	1.0
241.19388	2.5
253.08771	1.2
259.20630	7.4
266.05579	0.9
275.07037	1.1
281.08041	2.6
283.06146	1.1
290.09299	2.0
291.10327	1.0
293.08063	1.2
297.07578	1.1
300.08038	1.1
305.11771	1.8
309.07663	8.4
317.08069	2.8
318.08832	1.6
321.07593	1.3
323.09317	2.0
323.12668	7.1
333.11258	10.0
335.09128	2.7
336.09842	1.4
349.10406	0.9
351.12268	100.0
351.25226	5.0
352.12613	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99935	0.5
56.96570	3.3
67.05210	0.5
69.03408	0.6
70.06599	0.6
70.98105	1.1
71.47984	0.7
74.10737	0.5
74.73969	0.5
82.99846	1.8
84.08119	1.0
85.01413	1.4
85.02885	1.3
86.09719	1.0
91.74639	0.4
94.99822	0.8
97.01359	0.6
97.02867	0.8
98.97598	5.0
99.02982	0.7
101.00892	7.0
103.00627	1.9
103.02443	2.1
110.97568	0.9
111.02956	1.5
112.99139	0.6
113.00874	6.6
115.00645	0.7
115.02451	3.9
116.98679	1.0
117.02171	0.9
117.03980	1.8
119.01926	4.3
121.01653	1.6
124.99118	0.6
125.00858	0.7
127.02408	2.4
128.98596	1.5
129.03995	9.8
129.10222	0.6
131.00162	0.6
131.01912	6.2
133.01653	1.1
133.03494	4.4
135.03221	2.1
135.05017	0.5
137.00879	1.2
139.02386	1.1
141.03973	1.6
143.01915	4.1
143.05534	0.7
145.01646	1.8
145.03477	6.2
145.04608	0.9
146.99683	1.1
147.05032	33.9
153.03955	3.1
155.01906	7.4
155.05527	0.6
156.02654	0.6
157.01637	0.6
157.03493	3.4
158.99660	0.8
159.03171	0.5
159.05028	5.0
161.02969	2.2
163.02629	0.8
163.04106	0.6
165.04048	0.9
165.06111	4.1
167.05554	0.8
169.03548	1.0
170.99693	0.9
171.01305	0.8
171.05049	12.7
173.03006	4.0
173.06641	2.3
175.02779	1.2
175.04527	1.6
177.00717	0.5
178.01073	1.0
181.03491	1.1
183.05046	8.4
185.01271	0.5
185.02948	1.2
185.06616	4.1
185.96150	0.5
187.02795	0.9
189.00783	0.9
189.06087	32.8
191.04010	0.7
193.03763	0.5
195.05040	2.2
196.02161	1.4
197.02934	0.7
197.06549	0.8
199.04480	0.6
199.08139	0.5
201.06099	33.2
202.06456	0.8
203.04027	5.8
203.07635	5.9
205.03844	0.7
206.07086	0.7
207.05127	2.4
207.07222	1.5
210.03879	0.9
213.06145	3.4
214.06650	0.6
215.07632	1.4
217.00146	1.6
217.05563	0.9
219.01740	2.7
221.03111	0.8
221.05104	8.6
223.04994	0.8
224.02432	0.7
225.03954	0.6
225.06136	10.4
225.08223	0.7
231.03622	1.0
231.07190	4.5
233.08771	0.5
237.02890	0.8
238.03694	1.0
241.05643	0.6
243.07155	2.2
245.05075	1.3
249.02890	2.0
249.08315	2.3
251.04330	0.9
255.07123	0.9
261.08273	4.9
263.06204	0.7
263.09921	0.6
273.08157	2.9
279.09305	1.0
291.09265	100.0
292.09528	3.7
293.99316	0.6
307.40851	0.5
309.10397	18.6
319.03610	1.7
351.06799	3.4
351.11386	19.2
365.87064	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1057
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46106	1.3
53.29777	1.2
55.93502	1.5
56.96309	1.9
56.96571	28.1
66.90945	1.2
69.03427	2.7
70.06583	3.9
71.47897	1.2
71.48315	1.4
72.08137	2.1
72.57243	1.2
72.93805	1.3
74.03288	1.4
80.98133	1.2
81.03420	2.0
82.48371	1.1
83.62106	1.2
84.04491	2.9
84.08134	5.1
84.96030	5.6
85.02904	5.1
86.09714	4.0
88.19800	1.0
97.02915	1.8
98.97592	100.0
100.99168	2.9
110.97577	22.6
112.07669	1.5
112.99168	2.8
116.98626	24.2
117.03375	2.0
117.69537	1.2
119.01888	1.3
120.08096	3.2
122.59404	1.5
124.99136	2.3
126.97086	1.7
127.00690	2.2
128.98607	14.3
130.08626	2.5
131.00211	2.3
134.99657	3.2
135.04387	3.7
140.98592	2.9
143.00185	4.5
143.01863	1.7
144.98141	2.7
145.01730	3.5
145.02754	1.8
146.99660	6.5
147.03308	7.7
152.98589	3.8
155.01941	1.4
158.97525	1.6
158.99673	33.8
161.01207	3.1
162.99091	1.9
163.02757	2.5
163.03940	10.2
165.04352	3.1
170.99652	4.5
171.03296	2.9
172.97482	1.2
177.00717	18.6
189.00739	4.4
189.04330	8.5
189.06000	1.3
189.06517	1.2
190.98621	2.3
193.03763	1.3
201.00745	6.1
201.04453	1.8
203.04079	1.5
207.05379	2.5
208.99698	2.2
216.95866	1.5
219.01778	32.4
221.03029	2.2
221.05016	1.4
225.06323	2.1
227.02385	1.4
231.05386	2.2
234.96915	27.4
234.99113	6.3
237.00569	2.6
237.02824	23.7
248.94864	5.8
249.06297	1.9
252.97960	32.5
253.00276	5.2
255.01717	3.6
260.98380	6.5
271.01379	1.7
273.02771	1.7
278.99533	7.7
291.07489	34.1
306.10995	1.5
307.01349	3.0
309.08566	69.1
325.02301	1.3
336.06952	1.3
350.98190	2.6
351.10297	74.8
352.10703	1.4
354.38983	1.2
369.09976	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75306	0.7
56.60092	0.5
56.96299	0.9
56.96566	11.9
57.03440	0.5
59.23890	0.6
70.06582	0.9
70.30370	2.2
71.95263	1.3
72.08163	0.6
84.08138	1.5
84.96035	3.5
85.02885	1.0
85.71310	0.5
86.09716	1.1
90.66463	0.6
96.02014	0.6
97.02987	0.7
98.97588	100.0
110.97574	12.6
112.99136	1.9
116.98629	17.5
124.99133	1.3
126.97097	0.7
127.00683	1.6
127.03850	0.6
128.98624	5.8
129.02261	1.6
131.01956	0.8
134.99664	1.2
140.98590	1.5
143.00180	1.8
143.01920	0.8
144.98055	1.1
145.01688	1.7
146.99634	1.3
147.03310	3.7
149.90866	0.6
152.98592	2.1
154.90918	0.6
158.99667	37.4
161.01247	1.5
163.03902	2.8
165.04387	0.9
170.99663	2.5
171.03304	4.8
171.04601	0.8
175.02773	0.9
177.00731	14.3
189.00749	1.7
189.04367	6.0
189.05920	1.0
190.14401	0.6
201.00790	3.5
201.02361	0.8
201.04370	0.8
207.05391	1.1
214.43826	0.5
219.01784	16.2
221.02959	0.9
231.03502	0.9
231.05402	2.0
234.96945	2.2
237.02852	11.5
252.97977	1.7
260.98367	1.0
291.07431	21.3
309.08569	53.6
332.10217	0.8
351.09760	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2691
Annotation	Neovasipyridone A
Peak:m/z	Relative Intensity
50.07524	1.1
53.00313	1.3
53.03951	2.9
55.01883	1.4
55.05513	31.0
56.05034	5.1
57.07080	12.2
57.93860	1.1
58.02972	9.5
58.06598	3.5
60.04525	2.5
60.59018	1.3
65.03949	2.9
67.05509	38.7
68.05048	1.2
69.07074	43.8
70.06601	17.0
71.08636	41.2
72.04515	2.5
72.08158	4.7
79.05499	35.1
80.05011	4.1
81.05806	2.3
81.07059	47.7
82.06584	16.4
83.05000	2.0
83.08627	16.1
84.04515	5.0
84.08146	34.1
85.06557	2.7
85.10167	2.5
86.06078	5.2
86.09718	4.4
88.11270	85.2
91.05482	26.4
93.07040	25.3
94.06572	32.2
95.04977	5.5
95.07348	2.7
95.08609	31.4
95.09179	2.3
96.04537	1.7
96.08132	16.3
97.06536	3.9
97.10162	10.3
98.20806	1.5
100.07602	2.5
105.07018	19.1
106.06557	4.0
107.07379	2.2
107.08597	24.4
108.08131	6.1
109.06540	4.1
109.08926	2.4
109.10156	16.0
110.06061	1.3
110.09704	7.1
111.08101	4.2
112.07606	8.7
112.11246	2.4
114.09191	5.1
117.07043	6.0
119.08605	11.8
120.08125	4.1
121.10151	10.9
122.09683	4.6
123.08094	4.6
123.11742	4.9
124.07575	1.3
124.11229	18.4
129.07053	2.1
131.08597	5.3
133.10129	7.0
134.09656	2.4
135.08041	2.5
135.11670	7.1
136.11195	4.8
137.09642	2.3
137.13266	1.4
138.09100	1.2
142.12268	2.1
143.08562	1.6
145.10112	6.9
147.11748	5.4
149.09615	1.2
149.13278	4.0
151.11244	1.9
151.23170	1.1
152.10715	7.2
152.14346	1.7
154.12312	1.8
156.13882	4.8
157.10170	1.9
159.11714	2.6
160.50461	1.1
161.13283	4.6
161.63322	1.2
162.12796	2.7
163.14883	1.9
164.14345	8.6
168.13918	1.4
170.15472	5.1
171.11810	3.8
173.13243	1.3
175.14969	1.7
175.55524	1.2
179.18002	1.6
180.13820	5.9
184.17030	6.7
185.13307	1.7
189.12686	1.3
198.18570	4.9
200.16486	1.6
206.15395	1.9
208.13353	1.6
210.18633	2.0
212.16476	30.1
212.20135	3.6
220.16931	5.6
226.21660	2.8
227.20482	1.3
232.17055	2.3
238.18036	5.3
238.21561	1.3
240.15979	4.0
240.23260	2.5
245.22707	2.3
252.19580	22.3
254.24808	1.7
264.19705	2.4
267.67630	1.3
268.26440	3.3
280.19211	2.8
280.26401	1.5
291.23099	3.0
292.22742	18.4
301.21750	3.9
303.23218	1.5
315.23260	1.4
318.24323	2.2
320.26038	1.5
332.25900	11.4
350.26990	100.0
350.34045	63.1
351.27130	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1347
Annotation	MITOMYCIN B
Peak:m/z	Relative Intensity
53.03936	1.1
55.01862	1.4
55.05489	0.8
56.05030	0.5
57.03441	2.6
60.04502	1.6
61.02915	2.1
69.03088	0.6
69.03429	8.9
69.07052	1.1
69.35824	0.7
69.36230	3.2
70.06575	1.7
71.01340	1.3
71.04979	2.4
73.02897	1.4
78.54008	0.5
81.03397	1.6
81.07037	1.3
83.04965	0.7
84.08127	1.9
85.02882	0.5
86.09687	1.4
91.05478	3.1
93.07037	0.7
95.04967	0.5
95.08582	0.6
97.02891	0.6
99.04469	2.9
100.11258	0.7
103.00134	0.5
105.07028	1.3
107.08568	0.6
109.10101	0.8
114.48362	0.5
118.06524	3.3
119.08579	2.6
120.08093	1.8
121.10149	0.8
130.06508	0.7
132.06813	0.8
132.08064	1.4
133.10138	2.6
145.07610	17.5
146.08385	0.7
147.09166	23.7
147.11670	1.3
157.07610	1.7
159.07986	0.9
159.09181	10.5
160.09959	1.6
170.08377	0.7
173.07103	2.8
173.10776	1.2
175.08664	1.3
175.14838	3.3
179.85934	0.5
184.09975	1.0
185.10735	3.6
187.08646	0.7
187.12340	1.0
189.10225	1.5
191.08156	100.0
192.08447	1.6
193.08392	0.6
197.10640	1.4
199.08675	1.3
199.12297	1.2
201.10219	1.3
213.10168	2.1
215.11711	1.1
216.07690	9.8
225.10258	1.1
231.11388	0.7
243.11208	0.8
245.09241	0.7
263.13910	7.1
271.10730	1.1
289.11835	4.5
289.14935	0.6
307.12872	59.8
308.12955	1.1
319.07666	0.5
350.13486	52.5
350.29025	1.0
351.13754	1.3
351.17896	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2742
Annotation	17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one
Peak:m/z	Relative Intensity
50.35852	0.6
50.95659	0.6
53.03946	0.7
55.05514	6.1
57.03444	0.7
57.07085	3.0
57.14716	0.6
57.32224	0.6
59.66141	0.6
67.05510	6.0
69.07076	7.5
69.64676	3.9
79.05505	4.8
81.07072	11.7
83.04987	1.8
83.08644	3.3
85.06565	0.9
87.59868	0.6
91.05499	4.4
93.07059	8.2
95.04971	0.9
95.08070	1.0
95.08624	14.1
97.10150	1.1
105.07045	5.1
107.08601	16.0
109.06530	2.5
109.10162	4.7
117.07038	1.5
119.08593	12.7
121.06517	1.7
121.10152	10.4
123.08081	8.6
123.11690	1.4
131.08595	3.1
133.10143	6.1
135.08047	6.6
135.11729	5.1
136.08867	1.9
137.09624	4.3
137.13274	2.5
145.10139	4.0
147.11729	3.2
149.09641	5.1
149.13251	2.0
158.10938	1.0
159.11662	2.2
161.13281	3.9
163.11140	0.9
163.14842	5.2
165.12744	4.2
173.13271	2.4
175.14784	3.6
177.12740	2.2
177.16289	0.8
179.14326	6.4
191.14285	6.2
203.17990	1.0
229.19484	0.8
249.64175	0.7
275.19983	1.1
285.25729	1.9
303.26852	23.8
313.25211	0.7
331.26346	100.0
332.26660	2.9
349.27524	2.8
360.03671	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2739
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.05505	5.2
57.07067	5.8
67.05499	5.7
69.07077	9.7
70.07581	3.0
70.07965	3.4
71.04969	2.5
71.08636	2.6
79.05489	6.0
81.07058	11.8
83.08604	3.2
85.06517	1.9
91.05485	3.3
93.07058	6.0
95.08618	10.6
97.06523	1.6
99.08115	1.8
105.07043	4.8
107.08582	5.6
109.06525	23.3
109.10174	5.2
119.08593	3.9
121.10152	3.3
122.07288	2.2
123.08077	59.3
123.11729	2.0
133.10136	3.1
135.08061	5.8
137.09624	3.1
145.10107	2.2
147.11682	3.3
149.09607	1.4
149.13361	1.7
159.11725	2.4
161.13283	1.9
165.12816	1.6
179.14322	74.4
193.15942	2.0
293.21130	9.5
331.26331	3.4
349.27390	100.0
350.27472	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	349.2739
Annotation	17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one
Peak:m/z	Relative Intensity
55.05514	7.5
55.58366	0.4
57.03437	0.5
57.07080	3.8
67.05507	5.5
68.48843	0.5
69.03410	0.6
69.07072	13.5
69.68559	3.2
71.08640	1.0
75.21994	0.5
79.05495	3.9
81.07054	7.0
83.04977	2.1
83.08622	5.5
91.05476	3.0
93.07050	9.8
95.04984	0.7
95.08611	8.4
97.10184	0.5
101.09631	0.5
105.07042	4.2
107.08597	14.2
109.06527	2.4
109.10168	2.8
117.07001	0.7
119.08583	9.2
121.06546	2.9
121.10139	8.5
123.08083	7.5
123.11666	1.5
130.08003	0.6
131.08571	2.2
133.10133	10.8
135.08069	9.3
135.11700	6.2
136.08829	1.9
137.09570	1.3
137.13255	0.9
145.10106	3.4
147.11688	2.9
147.81471	0.5
149.09648	4.7
149.13268	1.5
157.10097	1.0
159.11717	3.1
161.09671	0.7
161.13249	1.7
163.11203	1.5
163.14795	2.8
163.72763	0.5
173.13260	1.4
175.11229	0.6
175.14812	3.4
177.12801	1.6
177.16400	1.4
179.14308	6.1
187.14868	1.0
189.16348	1.4
191.12654	0.9
191.14305	8.0
191.17966	0.6
201.16498	0.6
203.17957	2.1
205.15880	1.8
219.17427	0.9
233.18980	0.9
247.20538	0.7
275.20074	1.7
275.27414	1.1
285.25897	0.9
289.21780	0.8
303.26813	13.4
313.25281	1.3
331.26324	100.0
332.26630	2.5
349.27328	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	349.2739
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.03931	0.7
55.05515	4.3
57.07069	1.9
67.05509	4.8
69.07069	8.0
70.54507	1.0
71.04993	1.0
71.08622	0.9
73.06539	0.5
74.21832	0.5
79.05492	3.3
81.07059	7.4
81.43335	0.5
83.04981	0.5
83.08630	4.2
85.06531	1.1
91.05480	1.8
93.07051	5.5
94.41423	0.5
95.04966	0.5
95.08618	6.5
97.06557	2.0
97.10146	0.8
105.07048	2.9
107.08613	5.2
109.06525	12.7
109.10174	3.2
111.08072	1.8
119.08582	3.5
121.10156	3.5
122.07324	1.1
123.08074	63.9
123.11703	1.6
125.09625	0.7
133.10138	2.0
135.08063	5.0
135.11668	1.4
137.09625	3.6
137.13257	0.7
145.10129	0.7
147.11697	2.3
149.09615	1.5
149.13303	1.3
157.86298	0.5
159.11751	1.2
161.13300	1.1
165.12758	0.7
173.13266	0.5
179.14323	31.2
193.15895	1.1
233.19144	0.8
234.34599	0.6
253.19252	0.5
275.20157	1.1
289.25247	0.9
293.21127	14.0
331.26343	3.3
349.27390	100.0
350.27777	3.4
366.98923	0.5
374.12674	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66911	1.9
53.03941	4.1
55.01865	6.7
55.05512	22.3
57.03439	19.5
57.07050	2.5
67.05507	39.2
69.03418	4.7
69.07069	26.9
69.72894	11.6
70.06584	3.4
72.08157	3.0
79.05495	32.9
81.07058	42.7
83.04974	10.0
83.08629	8.0
84.08150	5.1
85.06550	3.6
91.05479	38.0
93.07048	36.3
95.04979	10.4
95.08614	29.0
96.04498	2.7
97.06532	6.9
97.10178	3.7
105.07044	39.2
107.04932	13.9
107.08614	24.3
109.06505	16.0
109.10159	10.6
117.07021	10.7
119.08586	23.3
121.06522	12.7
121.10186	13.9
123.08115	4.0
123.11742	2.6
127.40430	2.7
128.06241	2.5
129.06993	5.1
131.08568	23.3
133.06560	3.6
133.10143	26.3
134.58984	2.3
135.08069	7.7
135.11681	8.8
137.09647	4.3
143.08542	4.3
145.06535	2.8
145.10124	22.5
147.08066	5.2
147.11707	17.2
149.09651	9.4
149.13297	3.9
151.11139	4.2
155.08592	2.6
157.10100	6.8
159.08096	2.6
159.11711	13.9
161.09613	6.0
161.13303	7.2
163.11186	7.7
173.09654	4.8
173.13252	7.9
175.11198	4.2
177.12886	3.1
183.11674	5.6
185.13251	2.5
187.11246	4.7
191.14137	2.7
192.33717	2.4
199.14880	3.1
215.14473	2.3
219.13896	3.5
219.17439	4.5
229.19566	4.7
239.17975	5.9
247.20572	5.2
257.19028	19.8
275.20093	100.0
276.20416	3.1
293.21231	5.1
327.67303	2.2
349.19989	4.2
349.23822	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71972	1.9
53.03938	1.8
55.01868	3.1
55.05507	11.3
57.03442	33.7
57.07078	1.6
67.05180	2.6
67.05508	28.4
69.03423	2.0
69.07066	11.1
71.05022	2.2
71.49085	2.0
72.08138	2.3
78.81680	1.9
79.05502	31.2
81.07066	28.0
83.08620	4.4
84.08153	2.3
85.06542	7.4
91.05489	39.0
93.07052	35.4
95.04971	4.1
95.08608	21.2
97.06517	3.2
97.10159	2.6
99.04449	7.5
99.08080	2.1
100.96411	1.5
105.07031	27.7
107.04961	3.0
107.08604	16.5
109.06503	9.8
109.10184	8.0
111.08081	3.0
117.07013	11.9
119.08595	22.7
121.06502	3.1
121.10163	10.2
123.08067	4.1
127.86977	1.5
129.06993	3.9
131.08565	21.6
133.10123	15.9
135.08130	2.7
135.11697	6.4
137.09596	3.8
138.48389	1.6
141.01823	1.6
143.08531	3.8
145.10110	14.8
147.11678	5.3
149.09622	3.4
153.12735	1.8
154.79955	1.5
157.10144	3.0
159.11705	7.7
161.13312	2.0
165.01869	2.7
171.11879	3.3
173.13293	3.5
173.57841	1.5
177.39420	1.6
183.02925	1.6
183.11797	1.7
185.13312	4.4
201.16403	6.0
203.14360	2.1
216.17894	1.6
219.17455	100.0
257.19083	2.5
275.20056	16.4
304.54025	1.8
349.10703	21.9
349.23935	16.8
349.27762	2.5
349.33887	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24083	3.1
53.03940	6.3
55.01859	11.7
55.05511	28.6
56.32053	3.9
57.03444	23.9
63.07745	3.6
65.03944	5.0
67.05513	60.7
69.03434	5.5
69.07073	52.2
71.08636	4.4
71.49484	4.3
79.05499	85.4
81.06592	4.5
81.07061	69.4
83.04975	9.1
83.08622	12.2
84.24975	3.0
88.11269	8.8
89.95725	3.0
91.05487	59.1
93.07044	51.7
95.04981	7.9
95.08616	41.6
97.06535	17.4
97.10174	13.5
105.06400	5.0
105.07047	55.0
107.04945	11.3
107.08601	100.0
109.06528	5.3
109.10167	20.4
113.09651	3.2
117.07021	14.4
119.08591	32.9
121.06479	9.0
121.10152	14.9
123.08052	13.7
123.11695	7.5
125.09623	10.5
129.06973	6.5
131.08578	22.4
133.10150	33.4
135.07988	3.7
135.11679	12.6
143.08583	7.6
145.10147	22.9
147.11687	14.3
149.09613	16.6
149.13278	6.8
157.10176	7.5
159.11699	20.2
160.37735	3.3
161.13283	10.5
163.11218	14.8
171.11720	3.4
173.13248	9.5
179.14316	9.7
181.12079	3.4
187.11113	5.0
189.11201	6.4
197.13364	4.0
224.56155	3.3
239.17889	5.3
257.18906	12.6
275.20099	54.8
345.39191	3.3
349.23724	48.9
349.27463	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	349.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	7.4
56.04358	3.5
56.96566	69.1
58.69751	3.0
61.24097	4.0
63.95841	3.3
67.05505	13.7
69.07088	3.7
70.35449	6.2
71.95271	13.4
72.96042	4.7
79.05508	16.0
81.07059	11.7
83.08600	5.1
84.08170	7.4
91.05488	15.6
93.07049	13.1
94.21973	3.6
95.08604	9.8
97.96783	6.9
98.20905	3.9
105.07055	9.0
107.08609	12.2
108.69182	3.7
109.06497	7.4
109.10142	4.1
110.97583	10.3
115.12305	4.1
117.06989	6.1
119.08617	8.1
121.10124	7.2
123.08077	12.0
128.98636	9.5
131.08614	7.7
133.10153	4.5
135.11685	4.5
137.02736	4.5
145.10150	5.2
149.09540	4.6
171.03319	4.5
179.14322	16.3
181.05391	4.3
183.06955	5.5
185.04956	5.6
195.06961	4.7
199.06439	28.4
201.08009	6.6
203.05893	4.3
211.06453	11.6
213.08000	58.5
217.07504	14.5
225.08122	3.9
229.07501	100.0
231.09103	37.4
243.09074	33.5
247.08559	44.6
252.09128	11.1
261.10056	12.0
267.06824	3.7
275.20248	8.5
287.10910	3.5
293.21448	4.1
331.15784	23.0
349.16901	99.7
349.23825	9.6
349.27478	22.2
367.17795	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	349.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.01873	1.4
55.05500	2.8
56.05010	0.6
57.03420	0.9
60.04528	1.7
61.02919	0.8
64.16341	0.7
67.05509	1.1
68.99799	0.6
69.03442	6.0
69.07048	0.8
69.25725	5.1
70.06598	2.9
71.04984	2.8
71.68596	0.7
73.02909	1.0
79.05508	1.1
81.03426	5.2
81.07052	1.7
82.06554	0.6
83.04985	1.2
83.08604	1.3
84.04496	1.4
84.08136	3.8
85.02907	1.5
85.06533	0.7
86.09702	1.7
91.05479	2.8
93.07037	0.8
95.08581	1.2
97.02880	2.4
99.04461	3.2
100.11272	4.1
105.07042	1.1
107.08607	1.5
109.06528	0.7
117.05584	0.6
118.06589	1.3
120.08102	1.3
121.06514	0.8
123.11699	0.6
125.09639	1.1
127.03922	0.9
129.10219	0.8
131.04887	1.1
131.08566	1.0
133.10054	1.1
135.08046	0.7
136.07509	0.6
145.07593	3.0
145.10130	0.7
146.08446	0.8
147.09187	8.5
157.07597	0.7
159.09187	13.7
160.09966	1.0
161.10741	0.8
163.03908	0.7
170.08353	0.8
173.07129	1.3
175.08688	2.2
175.94688	0.6
178.04953	0.8
182.08353	0.8
185.10745	6.2
187.03947	1.4
187.08766	1.6
187.12299	5.6
190.09755	14.7
191.08162	35.1
197.10741	3.2
199.08659	0.6
199.12344	2.7
200.09280	0.8
201.10271	0.9
209.16449	0.9
210.14828	1.3
213.10231	6.2
215.11769	1.7
217.09795	0.8
225.10226	3.1
227.11671	0.7
227.17513	1.3
229.09889	0.9
231.11269	1.2
232.09619	1.2
243.11212	2.2
245.13007	1.2
253.09697	1.5
262.16245	0.9
263.13895	1.3
271.10773	3.4
276.72800	2.4
289.11829	41.2
306.14484	100.0
307.05856	1.1
307.14874	1.7
331.12747	1.0
332.12393	10.7
343.30472	1.2
349.07010	2.0
349.14142	3.5
349.27942	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1436
Annotation	trans-Anhydrotephrostachin
Peak:m/z	Relative Intensity
53.03937	1.6
55.01872	1.6
55.05504	2.7
57.03421	1.3
57.07077	0.8
65.03933	1.1
67.05507	3.6
69.03413	0.7
69.07061	1.7
70.06572	1.0
70.63538	0.5
70.68040	1.2
70.68446	1.2
71.04988	0.6
79.05492	4.6
81.03413	0.6
81.07061	5.0
83.05005	1.0
84.08131	2.8
85.02863	0.7
86.09687	0.8
91.05487	10.6
93.07043	5.8
95.04972	1.8
95.08628	3.4
97.06501	1.0
97.10110	0.6
103.05473	1.0
105.07030	11.6
107.04962	2.0
107.08605	4.2
109.06525	1.5
109.10163	1.5
115.05463	2.2
117.07026	3.6
119.04953	3.2
119.08577	6.0
121.06493	2.8
121.10126	1.8
123.08048	0.6
125.09608	0.8
128.06213	2.0
129.06992	2.5
131.04935	25.4
131.08585	3.3
133.02852	1.2
133.06508	6.7
133.10121	2.0
135.08067	1.4
135.11740	0.7
137.05983	4.6
137.09619	0.7
141.06987	1.1
142.07793	1.5
143.08551	1.8
145.06491	10.4
145.10132	4.3
146.07187	0.9
147.04424	25.3
147.08040	4.1
147.11696	1.8
148.08813	6.2
149.09595	1.4
151.07494	0.8
155.05991	0.8
155.08539	3.2
157.06496	1.1
157.10216	1.4
158.07272	2.1
159.04430	15.0
159.08015	3.5
159.11702	2.0
160.05194	2.0
161.02254	0.6
161.05989	9.4
161.09613	1.7
163.07526	2.9
165.06984	1.0
166.07790	0.9
169.06482	1.6
171.04482	1.7
171.08012	2.9
172.08853	2.0
173.02518	0.7
173.05983	7.7
173.09666	2.1
174.06767	4.5
175.07564	30.0
175.11070	1.3
176.08115	0.8
179.08594	1.2
182.07288	0.9
183.08063	2.1
184.08789	0.7
185.05948	4.2
185.09615	2.3
185.13264	0.9
186.06744	0.9
187.07542	3.8
187.09113	0.8
187.11189	1.5
188.08376	1.5
189.09113	8.2
190.08076	0.5
190.09875	4.3
191.08517	1.2
191.10675	4.5
191.14188	0.7
197.09703	3.0
197.11270	0.7
197.13217	0.8
199.07506	1.5
200.08319	2.1
201.09125	38.7
202.09833	1.0
203.08720	0.9
203.10646	7.9
205.06671	0.9
207.08179	0.7
211.07454	0.9
215.10684	7.8
216.11411	6.7
218.07310	1.3
219.08014	1.4
222.06758	1.1
223.07593	1.3
225.09108	1.4
231.08066	1.7
234.06793	2.2
235.07712	1.2
237.09094	1.1
239.03386	0.7
243.11800	0.9
245.06029	0.8
245.09612	1.0
246.06737	0.9
247.07492	3.4
248.08331	1.1
249.05620	0.8
250.06355	1.3
251.07054	2.1
256.08905	0.8
257.18988	1.7
259.07581	1.0
261.09180	1.6
261.12839	0.8
262.06522	0.9
263.06894	3.0
264.07834	1.5
265.08685	1.8
271.11273	1.6
273.09161	1.4
274.06433	1.5
274.09863	1.5
275.07004	2.4
275.10544	1.2
275.19989	3.3
276.07797	0.8
277.08600	4.0
278.09366	1.5
279.06793	1.1
279.10071	1.7
284.08273	1.0
285.09146	0.7
288.07962	1.2
288.11301	0.8
289.09116	1.1
289.12155	3.6
291.06683	1.4
291.10062	1.2
293.08078	7.5
294.08875	3.8
299.10785	1.0
301.08484	1.6
302.09277	1.1
303.10068	1.8
305.11710	2.2
306.08847	2.2
307.09760	5.7
307.13300	1.1
317.11768	3.9
319.09576	4.7
320.10574	1.1
321.14877	0.9
334.11789	3.5
349.14365	100.0
349.19342	3.1
349.23669	3.8
350.14743	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.2
53.05422	0.9
55.05505	3.0
57.03448	1.1
57.08233	1.0
65.03931	1.7
67.05493	4.9
69.03445	2.5
69.07063	2.6
69.66325	6.2
79.05492	7.7
80.06310	1.0
80.79949	0.9
81.07083	5.5
81.07483	1.0
83.05010	1.6
84.08167	2.1
91.05486	54.8
92.06275	2.4
93.07058	6.9
95.04996	1.9
95.08600	4.4
103.05463	2.8
104.06236	1.1
105.07042	29.4
106.07837	1.2
107.04970	1.7
107.08595	3.5
109.06564	1.6
109.10197	2.9
111.08099	1.1
115.05463	3.8
117.07020	11.2
119.05010	2.5
119.08595	29.8
120.05715	1.1
120.09387	1.5
121.06506	2.4
121.10168	1.5
123.08075	1.2
128.06189	2.6
129.07013	4.2
130.07822	2.4
131.04922	11.5
131.08586	3.9
133.06509	27.0
133.10144	3.5
135.08060	2.5
135.11719	1.9
137.05981	1.3
143.08569	2.3
145.06503	4.0
145.10146	4.5
147.04413	8.8
147.08058	43.3
147.11716	2.8
148.08836	100.0
149.09261	1.8
151.11327	1.0
155.08540	1.6
157.10204	1.6
159.04411	5.7
159.11690	3.1
161.05994	3.2
161.13280	1.2
171.11845	1.3
172.08955	0.9
173.06053	1.8
175.07547	10.8
185.13211	1.5
187.03923	1.8
187.11246	1.1
189.09152	2.9
190.09885	1.3
191.10739	1.3
201.09102	12.4
203.03430	5.1
203.10629	2.4
215.03406	6.3
215.10681	2.0
216.11514	2.2
219.08128	1.2
222.06908	1.0
257.19122	1.4
261.09079	1.4
273.09274	1.1
275.06949	1.0
275.20078	3.8
293.08224	1.8
294.08792	3.0
302.09094	1.2
303.10217	1.8
307.09622	1.8
319.09866	2.1
321.11316	1.2
331.09775	1.7
334.11871	1.3
343.83804	1.1
349.10599	7.9
349.14368	33.9
349.19809	8.0
349.23975	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58731	0.9
52.59433	1.0
53.03948	1.7
55.01867	3.2
55.05497	2.2
57.03443	1.4
65.03928	1.4
65.57701	0.8
67.05495	5.6
69.03429	1.1
69.07069	2.4
69.38133	8.3
70.06592	1.0
72.08138	1.0
76.56817	0.8
79.05487	7.1
80.55489	1.0
81.03408	0.8
81.07063	5.3
84.08146	1.6
87.04465	1.1
91.05484	31.7
92.06285	2.2
93.07034	5.4
95.04961	1.6
95.08060	1.0
95.08602	3.2
97.06527	1.7
103.05469	2.3
104.06200	1.1
105.07037	26.6
106.07818	1.1
107.08594	2.7
109.06529	1.6
109.10144	1.9
115.03916	3.7
115.05469	2.2
117.07006	7.4
119.04877	1.9
119.08580	26.4
120.09343	3.0
121.10167	1.6
123.00835	1.9
128.06242	1.6
129.07001	2.9
130.07776	1.6
131.08549	2.2
133.06494	26.9
133.10127	2.2
135.08116	1.3
140.44989	0.9
141.01799	1.1
145.10168	1.6
147.08052	39.6
147.11690	1.3
148.08829	100.0
149.09213	2.1
153.01808	1.6
155.08549	2.0
159.04379	2.1
159.11714	1.3
169.06480	2.2
183.08043	1.9
185.05978	1.8
187.03970	1.9
187.07553	1.0
197.05939	1.1
203.03352	5.0
207.02928	1.2
211.07542	3.7
213.05389	1.3
213.09099	2.0
215.03401	9.3
215.06880	2.1
219.17435	2.0
229.08479	1.4
239.07036	3.4
249.03961	2.3
251.07207	1.3
253.04971	1.6
257.08087	2.9
267.06662	3.2
271.09558	5.5
275.20197	3.1
285.07654	1.1
299.09207	6.2
317.10114	2.2
331.11926	2.0
331.15332	1.0
349.10559	8.9
349.16559	1.2
349.23697	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	349.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48936	1.3
56.96541	1.2
58.99864	2.0
59.92763	1.1
61.02911	1.6
68.98295	2.8
69.03448	2.3
69.78112	4.2
69.78518	3.0
70.06581	2.3
70.99846	3.5
72.08141	3.2
73.01431	1.4
73.02915	1.2
77.00888	1.6
82.99823	15.2
83.00220	1.5
84.08154	7.0
85.01372	1.5
85.02905	3.5
86.09690	2.1
86.99327	2.0
91.02506	1.5
92.77186	1.2
97.01408	1.8
97.02901	2.5
98.97585	1.8
101.00885	95.7
103.02435	2.1
108.67845	1.3
109.03513	1.2
113.00872	36.8
115.02438	27.1
119.01926	73.2
121.01660	1.4
126.98780	3.9
127.02426	6.3
129.03954	2.0
129.10204	2.1
130.08665	2.1
131.00923	2.9
131.01909	56.9
133.03471	49.9
134.03610	1.3
137.02939	4.8
139.02406	3.3
141.00383	1.8
143.01900	70.1
144.02063	1.7
144.99825	4.0
145.03455	12.4
147.01398	2.8
147.03249	1.4
147.05028	1.7
149.02963	12.8
151.04530	2.3
155.01872	13.1
157.03490	9.8
159.01390	2.2
159.04987	1.8
161.02968	39.3
163.04417	2.6
168.99825	50.5
169.03462	2.7
171.01369	2.8
172.99347	2.9
173.02963	35.0
175.04539	3.6
177.02501	1.4
177.05972	1.4
180.99826	8.8
185.02985	4.9
187.00885	32.8
187.04524	3.5
189.02376	1.5
191.00366	1.4
191.04004	15.1
196.99309	29.6
199.00868	17.1
201.02432	8.4
203.02393	2.1
203.03954	8.6
203.05687	1.5
205.01958	1.5
205.05612	4.0
213.02461	4.7
215.00372	89.2
216.00479	1.9
217.01997	2.7
219.03534	9.1
220.14113	1.3
221.05098	20.2
223.06598	1.6
227.00285	7.8
229.01936	54.6
231.03494	9.0
233.01462	2.9
233.05043	5.0
238.02011	1.7
239.00441	2.0
239.06096	14.8
241.01987	7.4
245.01573	5.7
245.04950	3.3
247.03001	100.0
248.03259	3.1
249.04614	1.4
253.01990	2.2
257.01389	2.4
259.02982	16.1
259.06891	2.2
266.00238	1.2
271.02856	3.4
275.02682	2.1
275.07034	1.4
277.04019	3.6
289.04083	46.5
290.04108	1.7
303.01849	2.3
307.05276	1.7
317.03555	52.9
331.09799	2.6
335.04660	3.8
349.06165	13.8
349.10849	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48936	1.3
56.96541	1.2
58.99864	2.0
59.92763	1.1
61.02911	1.6
68.98295	2.8
69.03448	2.3
69.78112	4.2
69.78518	3.0
70.06581	2.3
70.99846	3.5
72.08141	3.2
73.01431	1.4
73.02915	1.2
77.00888	1.6
82.99823	15.2
83.00220	1.5
84.08154	7.0
85.01372	1.5
85.02905	3.5
86.09690	2.1
86.99327	2.0
91.02506	1.5
92.77186	1.2
97.01408	1.8
97.02901	2.5
98.97585	1.8
101.00885	95.7
103.02435	2.1
108.67845	1.3
109.03513	1.2
113.00872	36.8
115.02438	27.1
119.01926	73.2
121.01660	1.4
126.98780	3.9
127.02426	6.3
129.03954	2.0
129.10204	2.1
130.08665	2.1
131.00923	2.9
131.01909	56.9
133.03471	49.9
134.03610	1.3
137.02939	4.8
139.02406	3.3
141.00383	1.8
143.01900	70.1
144.02063	1.7
144.99825	4.0
145.03455	12.4
147.01398	2.8
147.03249	1.4
147.05028	1.7
149.02963	12.8
151.04530	2.3
155.01872	13.1
157.03490	9.8
159.01390	2.2
159.04987	1.8
161.02968	39.3
163.04417	2.6
168.99825	50.5
169.03462	2.7
171.01369	2.8
172.99347	2.9
173.02963	35.0
175.04539	3.6
177.02501	1.4
177.05972	1.4
180.99826	8.8
185.02985	4.9
187.00885	32.8
187.04524	3.5
189.02376	1.5
191.00366	1.4
191.04004	15.1
196.99309	29.6
199.00868	17.1
201.02432	8.4
203.02393	2.1
203.03954	8.6
203.05687	1.5
205.01958	1.5
205.05612	4.0
213.02461	4.7
215.00372	89.2
216.00479	1.9
217.01997	2.7
219.03534	9.1
220.14113	1.3
221.05098	20.2
223.06598	1.6
227.00285	7.8
229.01936	54.6
231.03494	9.0
233.01462	2.9
233.05043	5.0
238.02011	1.7
239.00441	2.0
239.06096	14.8
241.01987	7.4
245.01573	5.7
245.04950	3.3
247.03001	100.0
248.03259	3.1
249.04614	1.4
253.01990	2.2
257.01389	2.4
259.02982	16.1
259.06891	2.2
266.00238	1.2
271.02856	3.4
275.02682	2.1
275.07034	1.4
277.04019	3.6
289.04083	46.5
290.04108	1.7
303.01849	2.3
307.05276	1.7
317.03555	52.9
331.09799	2.6
335.04660	3.8
349.06165	13.8
349.10849	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	20.1
56.05033	10.5
60.04529	82.6
64.75758	9.7
65.53688	10.1
67.05498	25.0
68.33666	8.9
69.03400	12.2
69.07034	16.7
70.06586	24.2
70.88878	17.0
71.04984	13.3
72.08161	10.1
79.05471	23.2
81.03432	11.3
81.07043	27.1
83.05006	21.4
84.04482	27.7
84.08137	18.5
85.02927	14.3
86.09707	24.0
88.02218	12.6
89.00640	13.4
91.05482	16.7
91.65987	9.9
92.78758	11.4
93.07046	35.2
95.04942	18.3
95.08596	37.2
96.04902	9.3
97.02905	10.5
97.06518	12.9
99.04465	44.0
105.07035	21.2
107.08581	55.5
109.02866	11.2
109.10168	21.7
119.08576	29.0
120.08150	16.3
121.06474	19.2
121.10118	24.9
123.08029	23.2
126.05524	14.9
131.08614	19.3
133.10117	23.9
135.11649	15.8
141.89014	10.0
145.10179	13.3
146.73482	9.0
147.11786	10.9
161.13286	16.3
173.13269	28.3
183.13821	14.8
191.08173	32.6
191.14261	37.1
219.11081	11.3
223.11459	13.0
227.16415	36.8
241.12550	40.5
289.11728	37.5
294.15054	51.0
306.14508	99.5
312.16290	100.0
312.25574	12.8
330.17355	87.9
330.26434	26.9
348.12735	15.2
348.22333	29.8
348.27420	43.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.8
55.01873	1.1
55.05505	0.8
55.15210	0.7
56.05025	2.8
56.96551	1.1
57.03430	1.8
60.04519	1.8
61.02897	1.0
67.05505	1.5
69.03428	4.1
69.07071	45.4
70.02960	0.6
70.06599	9.5
71.48274	1.1
72.93781	1.0
74.06074	1.5
79.05466	0.9
79.41363	0.6
81.03419	3.6
84.04502	4.9
84.08144	2.0
85.02383	0.6
85.02908	16.9
86.09711	27.9
87.10046	0.8
88.03976	1.0
89.03925	5.9
94.23413	0.6
95.04984	3.7
96.04446	0.7
97.02900	6.3
97.06524	5.7
98.06058	0.7
98.97547	1.2
99.04469	1.2
103.03954	1.0
104.05333	2.4
107.04954	2.2
109.02876	3.2
110.07158	0.9
112.07605	6.0
116.07140	0.6
117.03378	7.3
123.04428	3.4
126.05482	1.6
127.03930	3.6
129.10268	1.3
130.05000	0.9
135.04427	10.9
136.06192	4.0
136.07562	1.3
139.67307	0.7
140.07071	45.5
141.07399	0.7
144.06578	1.0
145.02843	8.2
145.04898	1.1
154.08640	1.5
163.03915	45.5
164.04233	1.2
164.07080	1.1
168.06566	100.0
169.06900	1.3
173.12860	1.7
175.11858	1.1
182.08110	11.0
186.07629	16.2
186.11194	0.8
189.08752	1.2
201.12354	1.4
206.08130	1.5
210.05591	1.1
210.07631	21.7
217.11833	1.7
219.13429	2.9
222.03271	0.8
225.12244	0.7
228.08620	2.3
232.03207	1.1
232.97301	1.0
233.98228	0.7
234.07637	2.6
234.96892	9.0
243.13432	2.1
248.94885	1.9
250.98457	1.1
252.97952	10.7
264.08649	1.5
276.08771	2.1
288.97964	2.7
294.09671	1.4
306.98993	3.8
330.11707	0.9
338.97797	0.7
348.13153	0.8
348.17084	2.8
366.05023	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.133
Annotation	Iridoid glycoside
Peak:m/z	Relative Intensity
51.14021	1.3
53.03942	1.9
55.01865	3.6
55.05273	1.6
55.05518	25.3
56.05027	2.2
57.03421	1.8
60.04521	1.8
60.78926	1.4
65.03941	1.5
67.05485	1.4
68.19968	1.3
69.03433	8.1
70.06609	9.5
71.04678	2.4
71.05029	4.2
72.08158	5.2
73.02935	2.4
74.06057	2.0
81.03431	2.2
81.07069	1.7
83.08617	14.3
84.04510	4.0
84.08130	7.6
85.02903	11.5
86.09706	10.8
87.00827	2.8
87.10044	3.5
91.05468	2.8
92.05007	2.7
93.07049	2.3
95.04983	3.6
97.02897	9.2
98.59332	1.7
99.04420	1.7
99.05596	2.2
105.07108	1.5
109.02912	1.9
109.83229	1.4
110.07163	1.4
115.03919	13.7
118.59350	1.6
120.08156	3.3
121.06497	2.5
122.53365	1.4
125.02354	1.7
127.03888	3.7
128.03404	1.7
129.10320	1.9
130.05008	1.6
133.04953	3.6
136.06207	7.1
136.07529	2.9
137.05998	6.9
138.05461	1.9
140.06990	2.0
144.01144	4.9
149.05939	1.7
150.06731	1.8
156.08105	2.0
161.04477	4.8
162.05441	2.0
163.03903	2.6
166.05060	2.1
167.06831	2.9
167.10608	1.6
170.06288	1.4
172.04353	2.3
185.04309	2.9
185.07918	10.7
187.08711	2.3
193.05020	1.5
201.01828	1.3
201.03941	3.4
203.05293	10.2
219.04887	1.8
226.08626	1.7
240.10228	2.6
241.09688	4.9
242.08147	7.0
248.51604	1.4
255.11386	2.8
256.09665	5.0
270.07684	4.0
272.10492	2.4
283.07785	1.7
283.10794	5.4
284.09219	4.7
285.13031	6.5
299.09122	2.3
301.08978	2.5
301.12570	69.7
311.10034	3.6
312.08722	3.2
319.12515	2.0
329.11432	8.8
330.09634	3.1
347.13071	100.0
348.13074	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1239
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
52.66934	0.9
55.01865	3.3
59.70420	0.9
69.36766	6.1
71.52718	0.9
73.54542	0.9
98.21497	1.4
102.80235	0.9
105.06966	1.0
109.85957	0.9
110.05996	1.2
130.06525	1.2
134.05956	1.1
152.03377	1.6
160.04028	2.2
162.05644	1.0
167.07130	1.5
168.08102	1.8
170.08244	1.1
171.09120	1.6
173.10675	1.1
176.07117	1.2
178.05019	3.0
182.09717	1.4
184.07680	1.2
184.11267	1.1
185.07120	3.0
185.10739	2.0
186.09204	1.2
187.04980	4.8
194.09630	1.3
197.06932	1.2
199.08670	7.5
200.07094	1.3
201.06581	5.0
201.10254	1.7
209.07164	1.0
210.09138	2.0
211.08649	3.1
213.06642	9.1
213.10135	6.2
214.08644	1.6
223.08601	2.0
227.08118	10.8
227.11778	3.6
229.09741	5.0
231.07733	4.4
237.10236	3.7
238.08661	2.4
239.08188	2.5
240.10262	1.4
241.09743	8.4
243.11305	1.4
250.07314	1.4
251.08170	1.4
255.07648	13.3
255.11317	10.3
257.09186	4.0
257.12704	1.5
259.07236	1.5
259.10742	1.3
265.09790	4.5
267.07657	2.5
269.09238	10.0
273.08771	6.2
273.11411	1.2
277.05997	1.1
278.06842	1.0
283.07602	1.2
283.10800	24.7
283.13986	1.3
287.10168	3.9
293.09189	8.4
301.11835	4.3
311.10266	51.0
319.12924	2.8
329.11322	92.1
330.11713	1.1
347.12378	100.0
348.12680	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	4.2
55.05507	0.6
67.05484	1.0
67.71886	0.6
69.42065	4.4
70.06598	1.3
71.04971	0.6
72.08134	1.2
79.05509	0.8
81.07055	1.0
84.08156	0.6
86.09731	1.0
91.05476	1.0
93.07037	0.6
95.04975	0.5
95.08574	0.6
98.06048	0.6
98.21519	0.6
103.05439	0.7
104.05004	0.6
105.07027	0.6
108.04498	1.3
108.96375	0.6
110.06023	0.9
119.08578	0.6
120.04490	0.6
120.08128	1.2
125.09612	0.7
129.07050	0.9
130.06589	0.6
133.10085	0.5
134.06036	0.9
137.06023	0.6
138.05537	1.4
145.00404	0.5
146.05945	0.6
149.09534	0.7
152.03474	1.6
155.08572	0.8
160.03944	1.8
161.04716	0.7
162.05484	1.3
167.07162	1.6
168.06679	0.8
168.08020	0.9
170.08444	1.3
171.09250	1.2
172.07597	0.9
176.07066	1.2
178.05016	3.2
182.09770	0.7
183.09258	1.3
184.07643	0.9
185.07095	1.8
185.10741	1.0
186.09242	1.4
186.11578	0.6
187.05020	2.8
196.10023	0.6
197.07091	1.0
197.10892	0.7
198.07803	0.8
199.08681	6.2
200.06967	0.6
200.10921	0.9
201.06593	4.4
201.10228	2.2
209.07143	0.6
210.09233	1.4
211.08688	1.6
211.12357	0.7
212.07251	0.9
212.09239	1.0
213.06664	7.3
213.10211	4.5
222.07820	0.9
222.85918	0.6
223.08745	1.1
224.09349	0.7
225.06413	0.6
226.08800	0.7
227.08206	8.5
227.11729	3.2
228.10327	1.2
229.09773	3.6
231.07742	3.4
237.10257	2.5
238.08597	2.2
239.08214	2.3
239.11768	1.4
241.06137	0.9
241.09782	6.7
243.11337	1.4
245.09297	1.3
250.07253	0.6
251.08092	1.4
255.07692	11.7
255.11304	8.4
257.09250	2.3
257.12888	1.6
259.07117	1.1
259.10901	1.0
265.09671	4.4
266.08118	1.0
267.07672	2.4
267.11240	0.7
269.09247	10.2
273.08710	3.5
275.10406	1.0
283.07492	1.3
283.10782	23.0
285.12396	0.8
287.10278	3.9
293.09222	9.2
301.11917	4.8
311.10269	40.8
312.10565	1.6
319.12836	2.3
329.11340	73.1
330.11691	1.7
347.12408	100.0
348.12747	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1238
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
55.01866	2.8
55.02091	0.6
55.05497	0.9
56.05025	0.9
60.04532	0.7
65.03946	4.3
67.05511	6.4
68.05015	1.3
69.03429	1.3
69.07084	1.0
70.06593	5.3
71.04981	1.3
71.47458	1.2
72.08173	3.4
74.06089	0.7
74.88421	0.5
78.57229	0.6
79.05490	1.4
80.05048	0.7
81.03432	1.0
81.07064	0.9
84.04514	0.8
84.08135	5.4
85.02898	1.3
85.06541	1.4
86.09712	4.9
87.10027	0.9
91.05471	2.8
92.05011	14.1
93.07044	1.3
94.06554	2.5
95.04971	2.3
95.08611	1.6
96.04513	1.0
97.06506	0.7
103.05486	0.7
107.04961	2.5
108.04494	1.2
110.06041	1.2
110.07179	1.7
111.04462	0.6
120.04463	8.8
120.08127	3.4
121.06480	1.4
121.10184	0.6
122.06031	2.9
123.04441	0.9
124.07623	0.9
125.09646	0.9
127.03917	1.3
129.10223	3.4
131.04982	0.7
131.08606	0.7
134.06018	1.4
135.04440	1.1
135.11668	0.7
136.07578	3.3
137.05984	3.6
137.09750	0.6
138.05502	13.1
138.09135	0.7
143.08516	0.7
144.08141	0.9
146.06012	1.0
147.04457	1.2
148.03917	1.1
148.07634	0.8
149.05978	1.4
150.06778	0.8
151.03886	0.7
152.07091	0.9
153.07042	0.9
156.08032	1.1
158.05988	0.8
158.09639	0.8
159.09236	0.6
161.05933	0.7
162.05502	0.9
164.07069	9.0
165.07051	0.8
166.05006	9.5
167.07100	1.9
167.08568	0.7
168.08148	0.7
169.08849	1.1
170.06024	0.7
170.09647	3.4
172.07574	1.5
173.12981	0.7
175.07521	0.7
176.07059	1.4
180.08034	1.6
182.08144	8.4
182.09601	1.2
183.06815	1.6
184.06151	0.8
184.07585	1.5
184.11232	1.1
185.07127	0.9
185.10800	1.4
186.09219	1.2
187.08716	1.0
187.10728	0.7
196.07602	1.9
198.09209	9.3
199.08606	3.9
200.09428	2.2
201.10303	0.9
208.06079	2.2
210.09145	1.1
211.08705	0.7
212.07137	0.9
212.10735	2.5
212.31653	0.6
213.06602	2.1
213.10252	9.4
214.08650	3.1
214.10954	1.7
215.08224	1.2
224.07077	0.9
226.08720	15.3
227.08173	5.4
227.11630	3.0
228.08867	0.8
229.09700	1.1
231.11232	1.0
236.52707	0.6
237.10272	1.3
238.08632	2.5
240.10228	5.1
241.09724	28.3
242.08273	1.1
242.10500	3.2
247.10602	0.7
251.08031	1.0
255.11224	6.9
256.09760	5.0
257.09311	1.6
258.11185	1.2
259.10800	5.4
260.11526	1.9
265.09714	2.6
267.11264	2.7
268.09726	7.3
269.09238	8.9
273.12262	1.9
275.10391	0.9
283.10803	5.8
284.09195	3.5
285.12292	1.2
286.10767	6.4
287.10287	16.7
287.13443	1.0
293.09164	1.7
301.11856	17.9
311.10266	7.1
319.12823	6.2
329.11359	7.2
347.12381	100.0
348.12558	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.7
55.05508	1.0
56.05024	0.9
56.96572	5.2
57.03432	1.4
60.04525	3.3
61.02924	1.2
67.77086	0.6
69.03443	3.3
69.07088	0.6
69.56263	3.9
70.06593	6.4
71.04980	0.8
72.08156	8.4
73.02921	1.2
74.06075	2.4
80.30656	0.7
81.03431	1.3
82.99814	5.0
84.04506	5.9
84.08151	10.2
84.96030	0.9
85.02908	5.8
85.06534	1.2
86.09713	8.8
87.05593	1.2
89.03937	0.9
94.46741	0.6
97.02917	2.9
98.06075	0.9
98.97585	5.8
99.04446	1.0
100.99130	0.8
101.00885	19.3
101.07139	1.4
102.05538	0.7
104.03130	0.7
105.03346	0.8
107.05003	0.8
109.02912	1.0
109.26217	0.6
110.07242	0.6
110.97566	2.0
112.07589	0.8
113.00873	2.5
115.02419	1.1
116.98633	1.3
117.03331	1.5
119.01923	16.0
124.98999	0.8
126.05499	0.8
127.03892	1.8
128.98604	1.2
129.06656	0.8
129.10262	7.1
130.04997	5.7
130.08694	0.8
131.01910	3.3
133.02794	1.0
135.04434	2.3
136.06169	0.5
137.02922	0.7
137.06004	1.0
138.05521	0.8
138.96912	0.6
139.08632	0.8
143.01907	100.0
144.02048	1.9
145.03554	0.9
145.05009	1.1
147.07658	6.6
147.11311	1.8
154.88902	0.7
155.01860	3.2
156.03299	2.4
157.03488	1.2
157.09770	1.1
158.99704	1.2
161.02966	70.4
162.03123	1.6
163.03897	9.1
167.05534	0.8
168.03369	0.8
169.03398	0.7
172.97545	0.6
173.01282	0.7
173.02959	2.8
173.06589	1.3
173.09204	1.1
173.12846	5.1
174.01553	0.6
174.04491	1.2
174.14952	1.3
175.10760	1.0
176.05165	5.9
177.00664	0.7
179.03632	0.6
181.09702	1.5
184.04559	1.5
184.06061	0.8
185.02884	0.9
185.06619	2.7
185.09204	10.1
186.04424	3.0
187.14394	1.4
190.98532	0.8
191.03992	1.1
197.06673	1.7
200.04388	1.2
201.00684	1.1
201.12396	1.4
203.04018	42.1
204.03967	1.1
204.05623	1.1
209.06691	1.1
213.05869	0.8
215.07668	0.8
219.01811	1.9
221.02951	5.0
221.05089	4.8
227.03972	0.6
227.07648	3.1
236.06151	0.7
237.00717	0.8
237.02870	1.4
239.04054	1.0
239.07678	0.9
245.05127	1.4
251.13863	0.7
251.98351	0.8
252.97945	1.0
269.08597	0.7
272.06476	0.7
275.09775	1.3
279.07422	1.0
284.13635	1.0
287.09772	17.8
293.10904	1.0
305.10748	3.9
329.17435	1.2
347.03958	1.0
347.12106	3.7
347.18619	1.1
347.22931	2.3
366.08624	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0741
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67391	18.6
56.96581	32.5
60.04514	22.0
61.02929	21.8
64.97540	18.0
65.00272	17.6
69.03437	36.2
70.06599	20.4
70.21476	27.6
70.21834	78.7
72.08150	41.2
74.06075	33.1
84.08123	69.8
85.02892	70.7
86.09682	36.4
93.53719	19.0
97.02926	39.3
101.00887	55.9
113.00881	28.0
115.02399	25.3
119.01897	24.8
127.03917	26.3
128.98677	19.3
129.10237	55.2
131.01840	30.6
133.03474	34.0
143.01910	38.4
155.01935	21.0
157.03490	26.1
161.02873	40.8
163.03902	39.0
171.05058	30.0
173.02959	46.6
176.06018	42.2
185.02879	33.0
187.04494	27.2
203.02036	19.9
203.03882	20.5
221.03015	100.0
221.04915	23.3
222.28157	21.7
227.03900	24.7
237.76013	20.3
239.03995	31.1
245.05122	37.3
249.08269	20.9
275.03754	22.9
347.06671	51.1
347.09406	64.9
347.13187	31.6
347.16837	34.4
347.22821	47.5
351.11539	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	346.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	19.6
65.03905	2.7
67.05512	66.8
69.03446	4.1
69.07076	15.0
71.04987	3.5
71.15707	3.7
79.05496	18.9
81.07056	23.0
83.04976	2.5
83.08620	11.3
91.05480	18.9
93.07060	15.5
95.08625	22.0
97.06550	4.6
97.10183	11.8
98.97605	2.9
105.07068	12.6
107.08601	29.9
109.06450	2.6
109.10165	70.8
119.08582	18.3
119.65186	2.9
121.10143	9.5
125.09634	11.8
131.08569	5.0
133.10124	8.8
135.08139	2.2
137.09662	4.9
145.10143	4.3
147.11705	5.4
149.09566	3.9
155.10686	39.8
158.09344	2.9
159.11690	3.1
161.13258	4.0
173.11755	100.0
189.11284	12.4
195.13803	3.2
214.58470	2.6
215.03314	3.9
257.18961	3.5
275.20105	28.4
293.21091	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	345.1547
Annotation	Taxuside
Peak:m/z	Relative Intensity
53.03946	3.4
55.01886	1.1
55.05503	2.1
57.03419	1.5
65.03938	0.7
67.05508	25.2
69.03443	4.0
69.07076	1.9
70.06593	2.9
70.35418	0.5
71.05005	3.1
71.47460	0.9
72.08156	1.7
79.05470	3.3
81.03422	38.2
81.07058	13.3
83.04958	1.0
84.08141	2.3
85.02901	1.9
86.09718	3.9
91.05487	3.2
91.05949	0.5
93.07047	3.9
95.04964	4.4
95.08611	8.1
97.06557	0.6
99.04457	10.2
99.08102	1.1
105.07008	1.1
107.04964	1.2
107.08637	2.7
109.02887	34.5
109.06518	2.7
109.10162	52.2
113.09641	0.6
116.07127	0.7
118.06531	1.6
119.04964	0.9
119.08598	3.2
120.08109	1.7
121.06527	0.7
121.10167	0.8
123.04424	1.1
125.05980	2.7
127.03922	3.3
127.07483	0.6
129.10208	1.2
131.04915	0.8
136.07605	1.8
137.09622	100.0
138.09976	1.3
140.01382	0.5
145.04976	1.9
146.05977	1.3
147.08034	0.7
155.10669	9.7
164.07047	0.7
165.09122	62.9
166.09544	0.6
167.07091	0.6
182.06392	0.8
182.08092	0.9
183.10190	7.9
187.14423	1.2
188.09131	0.8
201.11220	7.6
243.10271	0.6
309.13272	3.1
327.14423	15.1
345.07431	1.4
345.15500	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	346.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55946	1.9
53.03938	3.6
55.01859	5.5
55.05494	9.0
56.05027	4.9
57.03423	6.2
58.06593	2.9
60.04515	7.0
61.02932	9.9
68.05000	2.1
69.03430	24.3
69.07056	3.8
69.46777	15.4
70.02942	2.3
70.06266	2.9
70.06597	38.6
71.04990	4.6
72.08157	27.2
73.02902	7.5
73.08487	2.5
74.06075	4.9
81.03403	8.4
81.07081	2.3
83.08604	2.6
84.04488	6.7
84.08147	21.7
85.02910	96.6
85.08462	3.6
86.09711	100.0
87.04486	2.4
87.10004	3.4
88.04000	2.7
91.03955	5.2
91.05474	6.2
92.05791	4.0
93.07030	3.7
94.06584	2.3
95.04972	3.5
95.06059	2.8
95.07372	2.1
96.08129	5.9
97.02895	29.8
98.20798	4.3
98.97559	2.3
99.04453	5.5
103.33306	2.3
104.05251	2.7
105.07014	4.5
107.04956	68.9
108.08092	2.3
109.02870	6.8
110.07162	3.2
110.09666	9.0
116.07074	8.2
118.06564	5.7
119.04935	3.2
119.06886	4.0
120.08095	12.6
121.06528	5.0
122.02744	4.6
123.08099	5.0
127.03918	21.1
129.10266	9.7
130.08659	2.6
130.10617	2.2
133.04982	6.8
136.07579	9.6
137.05951	3.2
137.07925	5.8
138.09155	11.2
145.04970	43.1
147.04478	4.0
148.62405	2.1
149.06001	28.7
162.05798	7.0
162.07645	3.6
163.03923	2.6
163.05991	6.1
164.07045	3.1
165.05431	3.3
166.05818	3.0
166.08658	30.2
167.07008	12.1
173.06013	4.4
180.08669	12.2
182.08142	3.3
183.08437	4.4
184.09691	8.4
199.18022	22.1
203.05254	3.1
215.07059	6.0
215.13850	4.8
227.17511	7.4
228.01331	2.1
233.08086	5.8
233.14835	2.2
275.09158	3.4
300.82721	2.5
301.05280	2.3
301.12509	15.9
320.89032	2.3
328.13550	2.4
328.22336	2.4
346.07761	2.6
346.14569	4.0
346.21863	2.6
347.13113	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	345.1448
Annotation	Tyr-tyr
Peak:m/z	Relative Intensity
55.05527	0.8
55.95411	0.8
56.05021	1.3
59.81200	0.7
60.04528	0.7
64.30910	0.7
67.05517	0.9
69.76896	1.9
69.77303	2.4
70.06599	10.1
71.06916	1.0
72.08157	6.0
74.68216	0.9
79.05453	0.9
84.08149	4.2
85.02903	1.8
86.09717	8.2
91.05486	61.1
93.07050	2.2
95.04980	4.5
98.97562	0.8
103.05473	22.8
105.07079	1.0
108.08029	0.8
109.06553	1.0
114.05531	0.8
116.07106	3.9
117.05772	1.7
118.06550	100.0
119.04950	16.2
119.06802	0.8
120.08112	58.9
122.55466	1.0
123.04436	25.5
129.10246	2.1
136.07587	62.7
137.05981	3.1
138.09148	1.9
145.02843	1.0
146.36476	0.8
147.04419	11.7
148.04738	1.2
163.03864	4.2
163.10820	0.8
164.07074	33.6
165.05486	45.2
166.05876	1.2
171.11334	1.2
182.08139	75.9
183.06355	1.0
236.10793	0.8
242.11836	0.9
262.58871	0.9
282.11203	1.1
299.13849	1.5
341.11511	1.3
345.07434	1.7
345.14563	2.5
345.22223	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1447
Annotation	Tyr-tyr
Peak:m/z	Relative Intensity
59.61440	1.2
70.06576	2.6
70.34496	2.1
72.08142	3.4
84.08121	1.5
86.09688	4.2
91.05489	64.9
95.04982	5.4
98.97582	2.3
103.05479	22.5
116.15893	1.2
117.05756	1.5
118.06553	100.0
119.01995	1.1
119.04949	18.5
120.08112	56.4
123.04443	27.7
123.38369	1.3
136.07588	63.1
137.05952	2.2
147.04427	9.6
163.03947	3.1
164.07086	36.0
165.05492	49.9
182.08142	87.3
185.16534	2.3
225.44600	1.1
236.60768	1.2
257.37701	1.1
299.13809	2.0
316.95361	1.2
345.14600	1.5
356.01013	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1183
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
53.03938	1.7
55.01878	12.2
55.05505	2.6
56.05039	1.6
56.96547	1.2
57.03424	3.2
58.80126	1.0
60.82666	0.9
61.02918	2.0
67.05512	1.3
69.03427	3.2
69.07043	1.3
70.06600	14.1
71.47817	1.4
72.08162	17.8
73.02914	2.1
79.05504	2.2
81.03410	2.0
81.07060	2.3
82.17528	1.3
83.38374	1.1
84.04507	2.1
84.08150	8.6
85.02904	9.5
86.09717	9.2
91.05476	6.5
94.04179	1.5
95.04956	2.1
95.08584	1.2
97.02869	2.8
103.03954	8.6
105.07030	2.2
107.04939	2.7
109.02913	1.4
109.48663	1.1
110.07171	1.9
115.08649	1.3
116.07108	1.7
118.06549	5.1
119.04937	4.2
120.05294	2.0
120.08102	3.0
121.06487	1.7
122.03637	1.7
123.04485	6.2
127.03932	2.2
129.10252	5.8
132.04420	1.3
133.06496	3.8
135.04434	14.8
136.07593	3.7
137.05992	28.9
137.09535	1.4
138.09177	2.0
143.11823	1.5
147.04419	100.0
148.04805	7.7
148.05771	1.1
149.06007	3.6
151.03894	2.0
159.04407	4.9
160.05190	1.5
161.05983	10.1
163.03926	4.9
164.07043	1.6
165.05493	16.3
165.09106	1.7
165.10326	1.2
166.05835	5.1
171.04440	1.9
173.05959	2.0
175.03899	1.4
175.07634	1.4
177.05481	13.4
179.06940	1.3
182.08092	2.6
183.06473	2.2
185.06058	2.3
187.03859	1.9
189.05481	65.5
191.07072	1.7
195.06425	1.7
201.05515	5.4
203.07062	3.6
207.06531	13.7
210.06776	1.5
213.05450	4.3
217.04964	1.3
219.06543	3.0
225.07486	1.7
231.06506	26.6
243.06638	1.6
249.07498	7.8
255.06436	1.5
261.07504	5.7
273.07468	5.8
287.10925	1.5
291.08429	1.1
299.13934	1.6
345.07840	1.4
345.11508	4.7
345.15302	32.4
345.22275	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	344.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.01865	0.7
57.03442	1.1
60.04515	0.6
61.02930	1.7
69.03429	3.8
70.06588	4.1
71.04994	0.6
72.08156	1.8
78.60869	0.5
81.03398	1.8
84.04512	1.1
84.08137	2.3
84.72778	0.6
85.02911	15.9
86.09710	3.8
87.04449	0.8
89.06021	1.1
91.03972	0.9
91.05487	5.7
95.04957	0.8
97.02904	3.9
98.20728	1.2
99.04465	0.9
100.02238	0.7
102.00739	0.6
102.01486	0.6
109.02883	1.9
119.04948	18.5
120.08112	0.7
121.06521	0.7
123.04452	3.0
127.03942	2.9
129.10219	0.7
130.08675	0.8
133.08620	1.0
136.07616	1.0
145.04942	4.3
147.04422	100.0
148.04768	1.4
164.07088	0.5
165.05490	53.8
166.05872	0.6
166.08615	0.7
172.04228	0.5
172.07655	0.6
180.08713	1.6
182.08206	1.2
189.05769	0.6
200.61356	0.5
202.08626	1.1
226.33710	0.6
298.13016	0.7
320.08328	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0758
Annotation	Balsaminone A
Peak:m/z	Relative Intensity
53.03937	0.2
55.01855	0.7
55.05487	0.2
57.92237	0.2
67.05487	0.3
68.99784	0.6
69.03425	0.3
70.00861	0.7
70.06573	0.2
77.03917	0.2
77.59214	0.2
81.03410	0.4
81.07024	0.5
81.12518	0.2
84.45702	0.2
91.05462	0.4
95.04957	0.2
95.08602	0.2
98.21462	0.2
103.05457	0.2
105.07072	0.2
107.04955	0.2
109.06533	0.2
109.10136	0.4
115.05422	0.5
116.06235	0.2
120.08123	0.2
127.05443	0.2
128.06229	0.2
131.04944	2.8
133.02824	0.5
137.06024	1.0
137.09601	0.7
139.05417	0.2
143.04913	0.5
144.05724	0.4
145.02844	0.8
145.03949	0.3
147.04387	0.7
155.04903	1.7
159.04428	1.9
161.02348	2.3
165.06960	0.3
165.09114	0.5
171.04419	2.9
172.05186	0.8
173.02383	2.2
183.04433	1.5
184.05215	2.0
187.03914	3.0
189.06953	1.4
190.07770	1.5
191.08551	0.6
195.04416	0.6
199.03922	1.8
201.07109	0.3
202.07779	9.0
203.08501	2.0
204.09355	0.4
205.06535	0.7
205.10068	1.1
207.08134	0.3
211.03906	1.5
214.07745	0.4
215.08562	10.3
216.09375	1.7
217.06624	0.4
217.10121	3.7
218.07259	3.6
219.08049	1.3
221.06039	0.4
223.03934	0.4
226.05719	0.4
226.07780	4.0
227.08562	1.8
228.09340	0.3
229.06448	1.7
230.07248	1.4
231.08046	4.0
232.08838	0.9
233.09595	3.4
234.06726	0.2
235.07590	0.2
237.05267	0.2
239.06871	0.2
242.07292	1.4
243.08054	5.2
244.08803	2.8
245.05988	3.0
245.09622	8.6
246.06758	1.7
247.07521	2.0
249.05508	0.3
253.06445	0.2
253.09645	0.4
254.07359	0.2
255.08060	10.0
256.07431	0.8
257.06000	0.4
258.06778	9.5
259.07520	2.5
260.08405	1.4
261.09119	7.0
262.06235	0.3
263.06879	0.4
270.06705	0.6
271.07538	16.6
272.08310	1.9
273.05505	1.2
273.09094	8.3
273.11353	0.2
274.06241	3.8
275.07001	1.7
282.06805	0.6
283.07587	1.4
284.08185	0.4
285.05179	0.3
286.06177	0.4
287.07047	4.3
288.07751	1.6
289.05338	0.3
289.08572	7.8
290.08856	0.4
298.06299	0.7
299.07001	8.6
299.09549	0.4
300.07773	2.5
301.04993	12.6
301.08527	1.4
302.05670	3.7
303.06531	1.4
313.10806	0.4
314.05573	0.4
315.06497	6.9
316.07245	1.7
317.08084	15.8
318.08450	0.3
327.06451	7.6
327.09756	0.7
328.07166	0.7
330.05176	0.6
343.06049	4.7
345.07550	100.0
346.07874	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	344.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	0.9
56.05016	1.1
56.96576	3.8
65.87408	0.7
69.03439	4.0
70.06593	14.1
71.27374	1.6
72.08142	3.0
81.03397	0.8
84.04492	1.8
84.08153	7.5
84.96025	0.8
85.02921	4.2
86.09689	1.3
89.03922	2.1
89.11582	0.9
91.05478	1.7
95.05023	1.0
96.04479	3.4
97.02889	1.6
98.06037	2.6
98.97561	3.0
100.06181	0.8
102.05509	0.9
103.81987	0.8
106.88325	0.8
108.08096	4.6
110.07160	1.5
110.97575	1.3
112.07611	17.2
117.03359	1.9
118.06539	1.0
120.08067	0.8
122.04547	1.7
123.04381	1.5
124.07547	2.2
129.10228	2.7
130.08633	1.5
133.02867	2.3
135.04453	4.1
135.06770	1.1
136.07597	8.1
140.05556	10.1
145.02802	1.0
152.05621	1.1
154.03410	1.0
156.03305	3.1
156.07793	0.9
158.06647	41.7
159.06679	1.0
161.06987	0.9
163.03915	12.0
164.07059	12.2
168.03297	1.4
170.06647	6.6
170.99646	0.9
172.04604	1.3
176.07690	12.7
182.08154	3.7
186.04399	3.2
186.06007	0.9
188.07701	14.9
204.05312	1.5
215.05132	20.6
225.10823	13.8
228.05504	0.8
231.09779	1.1
233.06200	50.7
234.06355	1.0
238.09241	2.9
239.12383	2.4
240.07416	0.9
243.11974	4.3
245.11261	2.1
251.12439	62.9
252.12634	1.1
263.12424	33.8
264.12827	0.8
266.01093	0.8
269.11270	0.7
269.13483	22.4
281.13474	100.0
282.13730	1.7
284.13821	0.9
304.15280	1.2
344.13077	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	343.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21856	6.2
55.05520	34.0
57.03430	9.5
67.05511	53.6
69.03426	11.4
69.07076	45.2
70.06577	29.3
71.05026	6.9
71.47579	7.8
79.05483	24.4
81.03416	14.1
81.07059	94.9
83.04969	6.8
83.08641	10.5
84.08136	21.1
85.02894	9.9
85.06551	13.8
86.09695	9.4
91.05475	40.3
93.07051	34.8
95.04963	21.4
95.08615	100.0
97.02885	10.1
97.06521	13.8
97.10146	11.9
99.08096	9.3
105.07054	38.3
107.04947	11.5
107.08611	42.9
109.02895	6.7
109.10162	69.3
111.08110	9.7
115.05440	9.7
117.07001	12.6
119.08575	28.6
121.06496	12.6
121.10159	20.9
122.03709	7.2
123.11705	15.2
129.07007	10.2
131.08566	16.2
133.10152	18.5
135.08032	19.1
135.11670	12.6
137.05971	37.1
137.09673	32.6
137.13206	12.2
139.03899	7.3
145.10097	14.0
147.04445	11.8
147.11642	10.9
149.05931	9.6
149.13324	10.0
151.03903	9.9
151.11212	9.7
151.14854	11.9
157.10120	9.9
159.11716	16.5
160.32172	6.7
161.05980	17.0
161.09648	7.5
161.13284	10.3
163.03934	6.5
163.07552	18.9
163.11189	23.4
165.09117	24.4
171.11736	8.8
173.05983	10.9
175.07501	6.9
175.14853	7.1
181.08530	7.8
181.12277	8.3
183.11710	6.8
187.03752	8.4
189.09085	12.4
201.05511	15.2
205.06494	14.2
206.07132	8.0
222.06825	12.9
232.50868	6.7
237.09004	10.3
239.14038	7.1
249.85989	6.6
250.06200	11.7
254.09534	8.4
265.08652	25.1
282.08878	10.6
283.09698	10.9
292.07266	8.4
293.08188	17.5
293.11603	8.4
297.11270	18.1
307.09586	25.4
311.09183	8.2
311.12610	10.6
325.10696	28.1
325.14355	14.7
343.11630	49.4
343.15417	26.4
343.22769	20.7
343.26489	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	343.227
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
50.41358	2.0
53.03937	6.0
55.01859	7.9
55.05514	16.6
57.03426	7.1
57.07059	5.9
57.74960	2.5
59.04999	3.1
67.05241	2.0
67.05511	22.2
68.56106	2.3
69.03419	8.7
69.07057	5.7
70.10016	9.2
71.04993	16.5
72.87511	2.3
79.05496	20.0
81.07066	29.7
83.04992	4.9
85.06536	4.3
91.05486	27.7
93.07048	55.9
95.04980	42.6
95.08611	61.4
97.06567	13.4
97.07084	2.6
103.05497	2.7
105.07033	69.1
107.04921	3.5
107.08605	46.8
109.06513	9.2
109.10142	4.7
115.05498	6.2
117.07026	26.1
119.08588	21.5
121.06516	14.3
121.10158	12.9
123.08068	22.0
128.06201	4.1
129.07004	5.3
130.07773	10.7
131.08580	7.7
133.06509	6.5
133.10141	16.0
135.08061	16.1
135.11696	11.0
137.09592	5.8
141.12309	2.4
142.07846	2.9
143.08574	9.5
145.06572	3.2
145.10132	78.5
147.08051	13.6
147.11646	3.8
149.09633	6.3
151.07541	41.6
155.08614	4.2
156.09445	3.4
157.10117	8.9
159.08054	4.3
159.11687	5.7
160.08762	3.5
161.09619	6.8
161.13235	5.2
163.11201	58.4
165.09148	17.4
169.10097	6.5
171.11752	2.9
173.09601	5.6
173.13203	4.4
175.11215	4.6
176.20547	2.4
177.09138	4.2
181.12274	3.6
185.13171	2.6
187.11150	3.8
189.09012	2.7
189.12767	8.4
197.13312	3.9
203.14349	8.0
207.10085	4.7
207.11916	2.7
207.13887	6.4
209.15343	4.4
217.12180	3.5
221.15385	32.0
233.15495	3.4
240.23265	4.2
241.15561	3.2
247.60210	2.5
263.16467	7.0
265.19165	2.9
269.15427	4.1
273.02533	2.3
286.19266	5.0
287.16440	3.4
287.19720	3.1
297.49887	2.3
302.31726	2.8
305.81390	2.4
325.21609	13.5
343.22684	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2271
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03935	4.1
55.01865	6.0
55.05516	20.0
57.03445	10.3
57.07083	9.7
59.04998	5.6
65.03935	2.9
67.05508	28.8
69.03434	11.9
69.07056	5.4
69.65433	12.8
71.05002	17.3
79.05077	2.3
79.05505	26.3
81.03416	5.1
81.07068	28.3
83.04971	5.3
83.08597	2.1
85.06567	3.5
90.32745	2.1
91.05491	35.0
93.07052	73.9
95.04979	54.8
95.08614	83.0
97.06545	14.0
98.20839	3.4
103.05479	4.0
105.07037	89.9
107.04959	5.3
107.08596	58.3
109.06536	14.8
109.10178	6.6
115.05449	7.3
117.07022	32.3
119.08599	32.9
121.06525	17.4
121.10159	19.0
122.07327	2.3
123.08077	29.4
125.05988	4.4
128.06200	3.5
129.07013	7.5
130.07782	19.4
131.08574	11.6
133.06483	7.0
133.10127	16.1
135.08081	27.1
135.11719	22.0
137.06035	3.2
137.09639	8.0
142.07758	4.3
143.08565	11.0
144.09360	3.2
145.06445	2.7
145.10136	100.0
147.08083	15.9
147.11697	6.2
149.09616	7.1
151.07558	53.5
153.09114	5.8
155.08551	3.8
155.10651	2.7
156.09373	3.0
157.10153	12.6
159.08047	3.7
159.11722	11.4
161.09683	13.8
161.13289	5.1
163.11192	66.7
165.09149	21.0
169.10158	5.0
171.11754	6.0
173.09636	7.3
173.13292	5.6
173.35703	2.2
175.11238	6.2
177.09103	6.0
179.07094	5.4
181.10103	4.0
181.12271	4.3
182.10788	1.8
183.11658	3.9
185.13310	3.6
187.11241	7.3
189.09122	2.7
189.12762	11.0
191.14412	3.1
197.13274	6.2
199.11266	4.0
203.14319	11.5
207.10056	4.0
207.13812	6.3
209.13322	2.8
209.15312	3.6
211.14847	2.4
213.44398	2.0
215.14377	3.7
221.13205	1.9
221.15335	30.0
223.14645	2.4
231.08186	2.0
233.15417	5.3
240.23312	3.4
241.15883	4.1
245.15205	2.6
259.17148	4.4
263.16394	6.1
274.19412	2.2
279.21277	2.9
286.19287	5.3
325.21558	13.4
343.22696	82.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2271
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03934	7.2
55.01865	4.7
55.05516	15.8
57.03436	8.4
57.07067	11.7
59.05000	6.9
67.05514	32.3
69.03426	14.5
69.07072	8.0
69.83204	5.8
69.83557	14.1
71.05003	22.9
76.41151	3.1
79.05504	30.5
81.03404	5.2
81.07066	29.3
83.04977	8.9
83.08617	3.5
83.78157	2.7
85.06534	7.7
85.13595	3.0
91.05492	37.6
93.07055	82.2
95.04974	58.9
95.08617	99.4
97.06531	17.7
103.05445	5.9
105.07041	94.8
107.04965	5.6
107.08600	58.6
109.06544	22.2
109.10137	10.0
111.04478	3.2
111.08044	2.9
112.87572	2.7
115.05426	9.6
117.07024	37.2
118.99179	2.6
119.08599	34.5
121.06527	19.8
121.10149	19.4
123.08104	32.4
129.07022	7.2
130.07796	19.7
131.08562	11.3
133.06482	7.9
133.10129	20.2
135.08060	27.6
135.11716	19.6
137.05905	2.6
137.09628	8.0
141.06960	3.9
142.07788	4.3
143.08557	12.4
143.86186	2.7
143.87642	3.1
145.06476	4.9
145.10135	100.0
147.08051	17.0
147.11655	8.8
149.02348	5.1
149.09618	6.5
151.07559	52.7
153.01862	6.3
153.09047	6.1
155.08475	3.5
156.09346	4.7
157.10124	13.3
159.08086	5.3
159.11699	9.3
161.09612	13.1
161.13254	4.8
163.11203	68.4
165.09102	19.3
169.10164	4.0
171.11699	6.8
173.09619	4.7
173.13277	3.7
175.11157	5.6
177.09109	7.5
179.07050	5.4
181.12234	3.5
183.11678	3.8
185.09628	3.0
187.11194	10.8
189.09016	3.5
189.12733	13.4
191.14294	6.7
197.13316	5.6
203.14348	8.1
207.10098	3.6
207.13852	7.8
209.13303	4.1
209.15344	4.2
213.12732	4.0
217.12221	4.9
221.13345	5.2
221.15352	37.7
225.69286	3.3
233.15314	5.4
240.23268	3.1
241.15916	3.3
243.13799	3.1
251.16595	3.2
263.16464	8.0
269.11868	3.1
269.15390	3.2
274.19479	3.6
286.19272	4.1
325.21658	11.6
343.22705	90.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73207	1.0
53.03951	1.5
55.01868	6.8
55.05512	11.6
56.05040	3.9
56.96569	12.8
57.03426	4.0
61.02918	1.3
61.52272	1.1
63.98713	1.0
67.05504	2.8
68.05004	1.6
69.03100	1.2
69.03410	6.4
69.07065	3.5
70.06598	100.0
71.48055	2.2
71.48426	1.7
72.08160	80.7
73.02913	3.4
74.22903	1.1
79.05489	5.3
81.03425	2.9
81.07069	16.8
82.06571	1.7
83.04990	1.2
83.06110	3.2
83.08607	1.4
83.42561	1.1
84.04504	7.0
84.08149	24.4
85.02921	9.2
85.03351	1.6
85.08464	1.3
86.06110	1.2
86.09707	8.4
87.04462	1.6
89.03896	4.0
91.05464	4.3
93.07048	3.8
95.04962	3.1
95.08618	2.1
96.04575	1.2
96.08109	1.6
97.02903	6.0
97.06525	1.8
97.07616	1.4
98.06054	14.9
98.97582	8.6
99.08609	2.0
99.09223	22.5
103.03954	2.0
105.07047	1.9
107.04949	1.4
108.08125	4.0
109.02853	2.5
109.06548	5.8
109.10175	2.4
110.06070	1.8
110.07171	4.0
110.09671	4.7
110.97563	3.2
111.04445	2.6
111.08101	1.7
113.02381	1.8
115.08691	3.7
116.07079	2.2
116.98611	2.8
117.03359	1.6
118.08660	2.0
119.01884	1.4
119.08597	1.9
120.08122	2.5
121.06551	1.2
122.09644	1.6
123.04450	2.8
123.08051	1.6
125.06105	1.0
126.09176	5.8
127.03933	3.0
127.08722	1.7
128.98599	3.2
129.10251	14.5
130.05034	1.6
130.08655	2.6
133.02866	3.5
135.04422	4.3
135.08080	1.8
136.07602	3.7
136.11263	1.4
137.06000	1.7
137.09628	7.1
139.00655	1.4
139.03874	1.6
139.07542	3.6
140.03442	2.2
140.07069	1.3
141.10233	11.7
145.02789	1.7
146.99669	1.2
147.04408	1.5
147.07967	2.5
147.11299	2.7
151.03915	8.7
151.04945	1.7
152.14342	21.4
153.10245	2.3
157.07599	2.1
158.99658	2.5
162.46344	1.2
163.03906	14.8
165.09132	3.8
169.01736	3.6
169.09720	13.7
169.13385	6.2
169.17033	19.7
175.07565	1.8
175.10774	3.3
178.12144	1.5
179.03438	4.6
179.11821	4.1
181.03802	2.3
181.08585	3.1
181.09894	2.3
181.17038	1.2
182.08113	7.7
183.14912	3.5
187.02800	1.4
193.08585	8.0
194.14116	5.5
195.15009	10.4
197.12819	4.3
200.13889	1.4
205.09763	1.4
207.08141	2.1
213.00771	2.3
219.01714	2.1
220.09717	1.5
221.12843	2.2
228.13402	1.9
230.11427	3.7
231.01740	2.7
235.07506	3.9
235.14365	1.3
236.12779	2.6
237.02869	3.0
237.05269	1.5
239.07350	1.6
244.99745	1.4
249.02914	1.6
252.10248	3.8
253.15434	5.8
254.10278	2.4
261.16037	4.7
268.16641	3.2
272.16122	7.7
279.06525	1.2
279.16968	6.6
283.06100	3.5
289.15469	4.2
293.37280	1.2
297.12418	3.2
301.02390	3.9
307.16531	65.6
308.14963	1.4
319.03360	2.2
325.07291	2.7
325.17599	43.9
343.13116	3.1
343.19235	6.4
361.02802	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60443	1.1
53.03966	2.1
53.18222	1.1
55.01867	4.1
55.05503	3.4
56.05038	2.0
57.03436	5.3
61.02922	4.6
65.03928	1.6
67.05488	2.6
69.03435	20.9
69.07066	2.6
70.06602	16.4
70.25413	4.1
71.01351	1.1
71.04991	2.8
72.08160	8.4
73.02905	1.6
74.06082	1.4
79.05481	5.8
81.03418	8.1
81.07063	10.0
83.04990	13.9
84.04510	2.0
84.08154	7.0
85.02911	36.5
85.06532	1.4
86.09708	9.1
87.04477	2.4
87.10081	1.3
91.03947	1.8
91.05479	9.0
93.03412	3.4
93.07049	10.8
95.04970	18.2
95.08595	2.4
97.02897	13.8
97.06538	4.0
99.04449	2.8
103.05456	2.4
105.07033	10.1
107.04961	5.8
107.08596	12.7
108.08108	1.8
109.02892	4.5
109.06512	3.6
109.10197	1.3
110.42991	1.2
111.04441	13.2
115.03941	1.3
115.05398	2.2
117.06993	2.6
119.04925	1.9
119.08563	3.7
121.06522	5.9
121.10156	13.0
123.04476	2.9
123.08096	1.9
125.06012	11.8
127.03939	9.4
129.05519	1.4
129.10234	3.7
130.07794	1.7
133.02864	1.4
133.06516	2.5
135.04446	9.8
135.08014	1.3
135.11673	7.1
136.05188	1.7
136.07607	1.4
137.06006	5.5
139.03922	10.3
143.08592	1.4
145.02852	1.5
145.04959	8.0
145.10126	17.1
147.04399	1.6
149.05940	1.7
153.05499	2.0
157.04973	1.4
161.09665	1.9
161.33794	1.2
163.03922	11.5
163.07510	2.3
163.11189	100.0
167.07008	1.8
169.13339	1.5
173.05992	1.5
175.07632	2.0
175.11111	1.3
181.04980	4.9
181.12238	21.7
183.10178	1.4
187.03897	2.0
191.03384	2.5
194.07333	1.7
201.05478	3.1
205.06462	1.5
211.09676	1.4
219.06453	1.6
223.13220	1.3
229.05017	2.8
233.06017	3.0
237.09215	1.9
250.06107	1.5
265.08624	3.9
279.06351	1.5
293.07892	2.4
297.07657	2.6
307.09634	2.2
307.15421	1.6
320.45416	1.1
325.10706	4.2
343.08246	1.6
343.12970	2.5
343.17389	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1543
Annotation	Drypetenone C
Peak:m/z	Relative Intensity
50.37184	0.4
52.25322	0.4
55.05489	0.5
56.96546	0.5
64.08343	0.4
65.03940	0.5
67.05495	0.6
69.07064	0.5
69.14830	1.9
69.15253	2.2
72.08136	0.7
72.65829	0.4
77.10693	0.4
79.05487	0.7
81.07050	1.4
91.05486	3.4
93.07047	0.9
95.04951	0.5
95.08579	0.7
100.87408	0.5
105.07035	1.9
106.14759	0.4
107.08540	0.6
115.05425	0.6
117.07039	1.5
119.04951	3.9
119.08594	1.0
121.06538	2.7
121.50241	0.4
125.65319	0.4
127.03913	1.7
128.97252	0.4
129.07054	0.6
131.08522	0.5
133.06502	12.5
133.10158	0.6
137.05981	1.6
141.95779	0.6
142.07808	1.4
145.10143	0.6
146.07164	0.5
147.08008	1.0
147.11694	0.5
152.80450	0.4
153.01796	0.7
155.72060	0.4
157.10135	11.4
160.08861	1.4
161.05949	0.9
175.11194	100.0
176.11543	1.7
187.88310	0.5
192.73442	0.5
208.58208	0.4
217.12227	2.1
227.06934	0.6
240.23233	1.7
245.08185	0.5
269.08121	2.2
287.09201	1.3
297.98175	0.4
343.11905	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.2
54.88061	1.9
55.01864	4.6
55.05507	1.9
56.05038	2.8
56.96545	1.5
57.03440	2.9
61.81602	1.4
67.81576	1.5
69.03441	2.1
70.06602	37.1
70.49936	5.5
72.08161	10.3
73.02892	1.9
74.73190	1.7
77.85074	1.4
79.05488	7.1
81.03401	4.4
81.07049	2.6
82.06607	1.5
84.04439	2.5
84.08157	12.5
85.02908	7.4
86.09707	11.7
87.48060	1.5
91.05458	2.1
94.04163	2.1
95.04983	2.3
97.02882	3.3
98.06061	1.8
103.05444	4.1
105.07042	60.3
107.04931	2.8
107.08624	3.6
109.02866	1.9
109.06509	2.2
110.05968	2.0
110.07153	4.7
115.03902	2.4
115.05476	2.9
116.07132	3.3
119.04935	4.0
122.03630	7.3
124.07465	1.6
129.07016	3.4
129.10243	7.2
133.06508	100.0
135.04398	1.8
135.08078	3.9
137.02431	1.7
137.05995	80.4
139.03972	2.1
141.10205	2.3
147.04424	12.8
147.11360	2.4
156.07617	1.8
157.06483	3.5
163.03931	8.1
163.07565	3.1
164.07057	1.6
165.05487	5.5
165.09140	38.2
169.16946	2.3
179.03409	2.4
180.03796	3.0
181.03711	2.6
211.14421	2.2
230.11374	6.0
251.06937	2.1
283.06067	6.8
297.07501	1.8
307.16516	2.6
325.07089	3.2
325.17584	4.6
343.09464	2.7
343.13782	17.3
343.19980	3.2
343.72925	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	342.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	5.0
56.05042	1.1
57.07074	6.6
61.02940	1.3
61.99951	1.0
67.05508	1.5
69.03424	3.0
69.07076	1.6
70.06596	100.0
70.60837	2.2
72.08154	3.0
72.87641	1.0
79.05507	1.2
81.07072	1.0
81.96613	0.9
83.08633	1.3
84.04501	2.0
84.08146	2.7
85.02907	7.8
86.09710	19.6
89.06030	14.2
93.07067	0.9
95.08635	1.0
97.02908	3.7
101.09668	8.6
107.07079	17.7
107.08585	1.6
108.57117	0.9
127.03935	1.9
132.10217	1.1
145.04924	1.8
146.06064	1.0
161.06026	1.1
163.07520	0.8
163.13306	48.7
179.03461	2.3
180.03761	0.9
183.14928	19.6
188.07089	2.0
191.03416	1.1
199.66316	0.9
211.14417	10.8
211.63983	1.0
229.15477	17.3
238.84251	1.0
245.18648	2.6
283.06042	2.2
284.06836	1.2
297.07706	7.9
325.06967	3.3
342.06650	1.2
342.14209	1.8
342.23813	6.0
343.08145	7.0
343.11917	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05014	2.3
57.03427	5.3
58.73726	1.8
59.04993	2.1
69.03423	3.5
69.07067	3.3
70.06599	9.1
71.04985	1.4
71.08624	4.2
72.08151	2.7
76.22684	1.3
81.07050	13.6
82.02927	2.8
83.06086	2.7
84.04483	1.4
84.08142	6.6
85.02919	10.5
85.03352	2.1
86.09698	5.6
96.04488	1.8
96.08141	1.9
97.02885	2.8
97.07659	2.5
98.20607	3.3
99.05582	5.0
99.08110	16.0
102.05570	2.8
107.08633	1.4
109.06532	13.3
111.05580	22.0
117.09138	86.2
122.09653	4.4
124.56238	1.5
125.07137	11.2
126.05516	7.0
127.05029	3.4
127.07567	35.9
138.05507	1.4
139.05028	41.6
139.12263	3.7
142.91872	1.7
150.07854	2.9
150.09132	7.1
152.10704	1.7
153.06673	4.4
163.03946	1.7
163.09644	16.8
167.11809	19.7
168.10176	1.6
179.03384	1.9
180.03726	3.0
195.11307	100.0
223.10873	3.9
279.13333	2.0
324.15540	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.6
54.03474	1.2
55.01875	0.8
55.05504	1.2
56.05036	3.4
56.05894	0.5
60.04506	0.9
62.59679	0.5
65.03950	0.5
67.05518	1.1
68.05013	0.8
69.03426	0.9
69.07071	4.4
69.94129	1.1
69.94525	1.3
70.06596	9.5
71.05022	0.8
72.08167	3.9
74.06067	1.1
79.05473	0.8
80.05019	1.9
81.07062	0.8
82.02938	3.0
83.04984	1.6
83.06099	1.7
84.04491	2.2
84.08163	3.2
84.08572	0.6
85.02907	1.0
86.09220	1.0
86.09710	12.3
91.05476	1.8
93.07059	1.1
94.02914	1.3
95.04991	1.2
95.08583	0.8
96.04491	1.8
96.08107	1.4
97.07669	3.0
99.04488	0.8
99.05586	6.5
102.05566	2.7
105.07023	1.2
107.04948	1.5
107.08566	0.6
108.04482	2.2
109.06551	0.7
110.06010	0.7
110.07132	1.5
111.04393	1.6
111.05572	28.3
116.07100	2.5
120.08111	1.2
121.03972	1.0
122.09689	6.1
123.04426	0.7
125.07123	13.1
126.05537	5.3
127.05053	3.0
129.10258	1.1
135.04419	1.2
136.07555	1.3
137.05997	1.4
139.03995	2.2
139.05026	42.3
139.12292	3.8
147.04341	0.7
150.09174	6.8
152.10704	1.8
153.06590	4.3
155.08249	0.8
163.03986	0.7
167.11806	20.4
168.10204	1.6
177.10269	0.6
178.04951	0.5
181.08484	0.7
187.14413	1.0
190.72911	0.6
195.11305	100.0
196.09789	0.6
196.11627	1.5
199.09619	1.0
199.18086	1.5
223.07281	0.6
223.10739	5.1
241.11685	0.9
256.16873	0.6
278.14899	1.4
279.13354	1.8
292.10840	0.6
296.15997	2.5
324.15582	24.8
342.13846	0.9
342.27429	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58979	3.3
55.05514	25.3
56.52437	3.3
57.07081	9.5
60.12321	3.8
65.03951	3.5
65.48507	3.3
67.05502	21.5
69.03419	11.9
69.07074	58.6
69.18775	30.7
70.06603	4.7
79.05489	12.2
81.07059	100.0
82.02565	3.9
83.05004	5.6
83.08611	8.9
85.06547	12.6
91.05473	11.1
93.07047	29.9
95.04963	6.7
95.08610	49.4
97.06538	9.0
97.10172	42.9
99.08130	3.7
105.07018	17.5
107.08594	41.6
109.10172	26.6
111.08110	4.1
111.11717	12.2
114.48118	3.7
115.07623	3.6
117.06990	4.5
119.08568	12.6
121.10146	28.4
123.08058	6.4
123.11719	93.8
127.08562	4.4
133.10139	7.5
135.11685	7.8
137.05943	16.8
137.13249	11.5
138.38826	4.0
139.11176	35.0
145.10234	3.9
147.11717	10.1
149.02338	10.3
149.13260	27.4
153.01944	3.7
157.12254	24.4
159.11737	4.3
160.38252	4.2
161.13222	5.3
163.14821	8.2
179.03377	3.5
187.07568	5.0
193.04962	6.1
203.12802	4.9
203.17860	5.4
221.19135	4.5
249.18448	6.9
255.06601	4.5
283.06079	31.8
285.06619	10.8
291.10278	5.1
305.24664	26.8
309.10828	3.8
323.25839	12.5
341.06622	6.4
341.10245	21.6
341.13745	9.0
341.21130	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	341.156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
56.96572	7.2
57.03434	2.5
61.02927	1.3
67.05505	1.1
69.03435	6.7
69.07059	1.0
69.37828	6.8
70.06593	12.6
72.08159	5.3
73.02905	0.9
73.04757	3.3
79.05470	1.6
81.03418	1.9
83.06091	1.3
84.04488	2.3
84.08138	6.2
84.96030	1.8
85.02898	9.4
85.06508	1.2
86.09691	3.0
87.04471	1.3
89.03924	2.7
91.05814	2.6
95.04971	1.0
97.02905	5.1
98.06102	1.6
98.21462	2.3
98.97585	11.6
100.72702	1.0
102.53126	1.1
107.04955	1.2
109.02906	1.6
110.07177	5.5
110.97575	4.6
112.07613	11.2
115.08691	1.1
116.07098	1.5
116.98595	3.4
117.03369	1.2
119.01894	1.2
119.04987	1.0
121.06500	1.6
122.07135	1.3
123.04430	12.2
127.03928	2.7
128.98596	3.3
129.10274	1.8
130.08662	1.9
133.02852	9.5
135.04388	4.5
136.07593	3.0
137.02328	2.0
137.05988	2.5
139.03908	1.3
140.05580	2.7
143.00151	1.4
145.05005	1.5
147.04359	1.6
151.03900	4.1
156.03333	2.1
158.06641	13.9
158.99678	1.4
160.07602	1.2
161.01233	2.3
161.04648	1.5
163.03952	6.9
170.06624	2.0
170.99634	1.2
174.04414	1.8
175.04013	1.3
176.07687	5.7
177.00760	1.3
179.03401	100.0
180.03831	1.3
186.04463	2.5
188.07623	5.1
191.03439	3.7
197.01257	2.8
201.00748	1.1
204.05385	1.3
207.02917	1.4
211.11865	1.7
212.07693	18.9
219.01663	4.7
221.04547	2.1
223.07535	1.3
225.10800	8.6
228.14645	2.6
230.08800	8.7
237.02776	5.5
239.04242	1.2
239.12254	1.1
243.11865	2.1
245.04613	2.0
251.06686	1.1
251.12445	29.3
263.09818	1.9
263.12445	19.5
266.01031	0.9
269.13464	12.2
281.13474	53.3
295.11282	2.7
313.23428	1.2
341.08640	1.7
341.12363	1.2
341.17480	1.9
341.22098	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	341.1388
Annotation	Licoflavanone
Peak:m/z	Relative Intensity
55.01876	3.6
55.05503	1.0
57.07072	1.0
67.01858	2.5
67.05502	1.9
68.99792	3.5
69.03429	1.5
69.06737	1.0
69.07078	11.7
69.75144	1.3
69.75562	2.9
71.01351	0.7
71.08597	0.8
73.04787	0.8
79.05488	1.5
81.07043	1.5
83.08617	1.5
84.08086	0.8
91.05448	1.2
93.07059	1.5
95.04958	2.1
95.08596	1.4
97.02903	1.5
97.06548	1.1
98.09743	0.6
98.20713	0.9
103.05476	3.6
105.07047	2.3
107.04945	1.8
107.08600	1.3
109.10155	1.0
111.00831	1.6
111.04432	0.8
114.47507	0.7
117.06974	1.1
119.04986	1.1
119.08611	1.9
125.02373	0.7
131.04958	7.5
131.08542	0.9
133.06522	4.7
133.10062	0.8
135.04424	1.3
137.05960	1.0
139.03922	1.4
145.06508	2.6
145.10129	1.5
147.04399	5.4
147.08099	0.9
151.03941	0.6
153.01843	100.0
154.07809	0.8
155.08580	0.9
157.06488	2.5
159.04442	8.2
159.08109	1.1
161.06003	1.3
165.01718	0.8
165.06943	1.8
169.06526	2.2
169.10149	0.8
171.02875	6.0
171.08075	2.0
173.06004	11.4
173.09598	1.2
177.05461	1.9
179.03456	4.6
179.08571	0.9
181.06540	1.3
183.16133	0.7
187.07599	1.8
189.12744	1.7
193.06583	1.1
197.06030	5.4
197.09653	1.3
199.07599	4.5
201.05461	1.6
215.06987	5.2
215.10651	5.2
221.05998	8.1
225.05516	1.4
239.07010	2.1
243.06593	2.3
247.87920	0.7
249.05499	2.1
267.06546	45.7
273.07602	2.9
285.07626	21.3
341.13852	27.8
341.21161	2.4
342.14020	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1386
Annotation	Aphyllodenticulide
Peak:m/z	Relative Intensity
54.93014	0.7
55.05525	0.8
56.41483	0.7
56.57091	0.9
62.96609	0.7
67.05488	0.9
68.60162	0.7
69.07070	1.1
71.48678	0.7
71.49082	1.1
72.87233	0.8
81.07045	1.8
83.08649	0.8
90.71695	0.8
93.07061	0.7
95.08591	1.5
103.05457	1.2
105.03402	0.9
105.07018	2.9
115.05491	0.7
117.07039	1.7
124.68430	0.8
125.77507	0.7
127.03879	1.8
127.05397	0.7
128.06270	0.8
129.06996	0.8
130.07835	1.8
131.04939	0.8
139.03941	1.4
145.10141	7.6
147.04359	0.8
153.06996	1.7
154.07774	0.9
155.08572	31.5
158.07289	16.2
165.01875	2.7
169.04959	0.9
173.09637	100.0
174.09959	2.1
177.45839	0.8
183.02925	0.9
197.09650	1.8
215.10747	4.6
221.08163	1.2
226.02296	0.9
238.18129	0.8
254.61562	0.7
285.07611	3.6
323.12469	0.8
341.21301	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1383
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
53.03939	0.9
55.01864	1.6
55.05505	1.9
64.55286	0.6
65.03915	0.8
67.05503	1.2
69.03419	2.2
69.07066	1.4
70.06595	5.8
72.08150	1.7
73.53777	0.7
78.75027	0.7
79.05486	3.4
81.03397	0.7
81.07053	2.7
82.06537	0.7
83.04990	0.7
84.04480	0.7
84.08141	2.5
86.09728	3.9
91.05473	8.8
93.07052	1.7
94.04186	3.2
95.04964	1.9
95.08613	1.0
100.11233	1.9
103.05491	4.0
105.07006	4.0
107.04958	3.1
109.06522	2.2
109.10191	1.0
110.07168	1.4
115.05470	3.8
117.07034	4.2
119.04971	1.9
119.08593	7.2
120.08150	1.4
121.06502	2.5
122.03654	8.3
123.04478	0.8
128.06245	3.9
129.07008	5.4
131.04962	3.6
131.08508	0.9
132.05727	6.3
133.06505	2.4
133.10194	0.8
133.25157	0.7
136.07578	0.9
137.05983	100.0
139.11172	0.7
140.03354	0.8
144.05658	0.8
145.06465	4.7
146.03590	0.8
147.04408	6.0
147.08072	10.1
149.05984	2.6
151.03940	0.9
151.07513	3.4
157.06502	2.7
159.08069	1.5
160.05247	5.2
161.05995	7.2
162.06854	1.1
163.07515	2.4
165.06981	1.3
167.06996	1.0
171.08047	1.2
174.06761	1.5
175.07553	73.3
176.07951	1.1
177.09090	6.5
179.07088	4.0
182.04906	1.6
182.15495	1.0
185.05995	2.6
187.07538	6.1
189.07256	1.1
189.09119	4.6
190.07671	1.4
191.08568	5.6
199.07524	2.4
201.62288	0.7
202.07779	2.8
203.08582	3.8
207.08011	1.1
208.02954	1.0
208.08867	0.8
217.08757	3.7
219.08073	7.6
220.08891	2.5
224.07831	0.8
231.07991	4.9
235.07596	0.9
236.08243	1.6
237.09125	1.2
247.07611	3.0
248.08365	3.1
249.09248	1.4
251.10690	7.1
253.04700	0.8
259.07581	4.3
260.08243	1.0
263.10742	2.6
264.07736	1.3
265.08615	1.5
276.07822	1.2
277.08661	1.0
279.10178	7.6
281.08084	0.9
281.11627	1.0
291.10150	6.8
292.11002	1.0
296.10306	0.9
309.11240	2.6
311.12711	7.8
323.12714	7.3
324.14301	1.7
341.06622	1.7
341.10199	1.0
341.13892	15.5
341.20798	0.9
343.30972	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.2
53.04425	0.8
55.01858	1.6
55.05498	3.1
57.07066	1.1
60.45947	1.0
65.03950	0.9
67.05508	4.0
69.03415	2.5
69.07055	4.8
69.60658	3.4
70.06602	0.9
71.05005	0.9
79.05504	3.7
81.07058	9.1
83.04946	1.0
83.08607	2.1
84.46127	0.8
85.06537	3.0
86.09758	0.7
91.05477	6.9
93.07059	5.2
93.07544	1.0
94.04199	4.1
95.04971	1.9
95.08611	7.3
97.06514	1.6
97.10173	1.8
97.50024	0.7
98.20847	1.5
99.08153	1.0
100.11266	2.3
103.05490	2.0
104.06230	0.9
105.07030	8.7
107.04951	2.4
107.08580	4.4
109.06506	2.0
109.10153	5.1
111.08101	1.8
115.05447	4.3
117.07020	2.7
119.04931	1.8
119.08597	5.1
121.06447	1.1
121.10137	2.9
122.03651	8.6
123.11710	2.4
125.09625	1.3
128.06229	2.1
129.07016	3.7
131.04880	1.8
131.08539	1.4
132.05693	3.3
133.02863	1.0
133.06496	4.1
133.10085	1.6
135.11688	2.2
137.05986	100.0
138.06316	1.3
139.11150	1.3
144.05711	1.4
145.06473	1.9
145.10126	1.6
147.04398	3.6
147.08026	3.8
147.11691	1.6
149.05980	2.4
149.09535	0.8
149.13246	2.6
151.07567	1.4
153.05501	0.9
155.04945	1.0
157.06508	1.1
159.08080	2.8
159.11710	1.4
160.05171	2.3
161.06000	9.5
163.07501	1.4
163.14812	1.3
165.07014	1.4
165.09142	1.7
167.07028	2.1
171.08015	1.1
172.05177	1.9
173.09801	0.8
174.06789	1.1
175.07556	36.6
177.05652	0.9
177.07265	1.2
177.09119	2.2
178.07770	1.2
179.03389	1.2
179.08620	1.1
187.07555	11.7
189.07016	0.9
189.09100	2.3
190.07732	2.6
191.08545	7.5
199.07550	7.8
202.07780	3.3
203.08578	5.7
205.06613	1.2
207.08025	1.3
217.08578	2.6
218.07289	2.5
219.08089	11.5
220.08719	2.7
221.09648	1.4
231.08043	6.5
232.08737	1.6
233.09653	1.4
235.07573	1.5
236.08440	1.7
237.09074	1.1
247.07495	3.6
248.08345	4.4
249.09106	3.2
251.10712	10.7
259.07602	4.1
260.08304	1.7
261.09076	1.3
263.06992	1.1
263.10669	2.4
264.07758	1.1
265.08521	1.7
266.09210	1.0
276.07813	2.8
277.08536	3.8
279.10107	8.5
280.10684	0.8
281.08194	1.5
281.11603	2.3
291.10132	7.0
292.10825	2.4
295.09705	0.9
296.10220	1.0
305.24646	2.7
308.10190	1.0
309.11276	4.3
311.12723	6.9
323.12790	5.3
323.25931	1.7
326.11575	0.9
341.10654	1.1
341.13879	11.2
341.20319	1.0
341.89307	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0871
Annotation	Esculin sesquihydrate 
Peak:m/z	Relative Intensity
53.03939	0.5
55.01901	0.5
61.02893	0.7
69.03415	0.7
69.53197	0.6
69.53516	3.1
70.06575	1.0
79.05496	0.7
85.02912	2.6
89.03919	0.5
91.05470	0.9
95.01349	0.5
95.04985	0.4
97.02898	1.0
98.20796	0.8
103.03938	0.7
103.05441	0.5
105.03415	0.5
105.07036	0.6
107.04959	0.8
109.02882	1.2
117.03370	0.7
119.04953	1.8
123.04436	9.7
127.03905	0.4
133.02863	8.5
135.04442	2.8
136.50009	0.5
137.02345	0.5
145.06491	0.5
147.04428	2.8
151.03912	3.1
161.06020	0.7
163.03926	1.1
175.03918	6.4
179.03410	100.0
180.03786	0.8
189.05467	1.4
191.03403	12.7
192.04179	1.2
203.03395	5.3
203.07091	0.6
205.04945	1.1
213.05450	0.4
215.03386	1.4
217.05016	2.3
221.04465	24.0
231.06506	1.9
233.04593	0.9
245.04486	6.0
247.51379	0.4
257.04510	0.8
259.06064	1.2
275.05453	2.9
287.05490	2.5
305.06638	2.3
323.07571	3.1
338.81570	0.5
341.08746	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	340.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05535	1.0
55.05283	1.5
55.05515	21.5
56.05027	2.6
57.03420	1.7
57.07077	8.0
60.04529	33.9
60.60464	1.1
67.05506	18.0
69.06738	1.5
69.07076	25.8
70.09927	1.1
71.04956	2.3
71.08616	5.1
71.48775	1.9
72.22093	1.1
79.05501	6.1
81.07062	18.0
83.04951	1.3
83.08623	19.0
84.08954	1.4
85.10159	1.9
91.05468	5.3
93.07044	4.8
95.08617	20.6
96.08916	1.5
97.06532	2.1
97.10184	11.5
101.33555	1.0
105.07027	4.3
107.08583	4.6
109.10154	13.8
111.11678	2.8
119.08573	4.4
121.10145	4.6
123.08012	1.7
123.11707	3.7
128.14328	3.5
130.46584	1.1
133.10095	5.7
135.11676	1.8
137.09625	2.6
139.04297	1.1
140.10674	1.5
141.12781	1.9
142.15929	14.9
147.11684	4.1
154.12286	6.7
161.13284	1.8
168.17503	3.3
172.13292	4.0
175.14859	1.8
180.30757	1.3
182.19025	3.4
184.23332	1.2
231.55757	1.2
245.22673	3.7
263.23767	7.7
264.53986	1.1
280.26367	41.1
298.09457	1.2
298.27420	64.0
304.92993	1.4
322.27527	6.7
331.92502	1.3
340.28531	100.0
341.26135	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.087
Annotation	AESCULIN
Peak:m/z	Relative Intensity
50.25445	0.2
53.16686	0.2
55.01865	0.2
57.03445	0.3
58.47687	0.2
69.03429	1.0
70.63756	0.4
73.02908	0.2
81.03409	0.3
85.02905	1.5
89.03942	0.4
94.22184	0.2
94.92623	0.2
95.04930	0.3
97.02883	0.8
105.03397	0.5
109.02885	0.4
109.03781	0.2
117.03413	0.3
123.04435	9.5
133.02861	8.0
135.04448	1.9
151.03897	3.0
179.03404	100.0
180.03767	0.8
190.41492	0.2
202.04218	0.2
264.54376	0.2
280.44711	0.3
287.05249	0.2
296.43069	0.2
341.08774	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49070	0.9
52.77445	0.9
55.05275	1.4
55.05513	19.2
56.05032	2.7
57.03426	2.9
57.07076	9.6
60.04529	26.3
63.55704	1.0
67.05502	13.4
67.74126	0.9
68.13998	0.8
69.07069	29.0
69.64351	0.8
70.05275	4.1
71.08640	5.0
73.50483	0.8
74.37931	1.0
74.98813	0.8
79.05473	2.7
81.07059	18.9
83.08160	1.4
83.08619	18.5
84.08945	0.9
85.10159	2.9
91.05470	3.5
93.07047	5.5
95.08605	14.5
96.08950	1.4
97.06541	2.7
97.10173	12.1
100.11243	3.5
105.07030	2.3
107.08592	2.5
109.10162	9.3
111.11722	4.7
114.12807	14.1
119.08574	3.0
121.10169	3.7
123.11694	3.3
125.09608	1.4
125.13290	1.5
128.14362	1.9
133.10135	3.8
135.11642	2.8
137.09669	1.1
137.13235	1.0
140.14366	1.3
147.11693	1.8
149.13240	2.0
154.15874	1.8
156.13867	2.2
161.13260	2.4
163.14841	2.3
165.12715	1.1
182.15402	9.0
196.16849	1.6
200.16451	4.4
224.16420	1.5
242.53104	0.9
245.22612	3.8
263.23743	5.4
280.26376	41.0
298.27405	56.3
322.27417	3.8
340.28516	100.0
340.83621	0.9
341.30600	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	340.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07539	2.1
53.03930	3.4
54.17816	2.2
55.01870	6.2
56.05027	2.8
57.03421	6.5
61.02925	6.7
66.52646	2.2
68.99790	3.0
69.03082	4.1
69.03431	37.0
70.06596	15.7
70.97438	4.3
71.04984	5.4
72.08154	4.5
73.02911	6.5
79.05487	2.4
81.03424	22.9
84.04474	4.5
84.08129	6.9
85.02908	100.0
86.09706	5.3
87.00833	41.2
91.05453	3.0
93.06956	2.2
97.02895	32.9
99.04465	13.8
105.01873	78.8
109.02885	26.2
110.07136	2.4
120.08085	6.2
123.04318	2.4
127.03925	75.2
129.01868	3.0
129.10243	5.4
136.07590	2.6
137.06009	7.9
145.04976	33.1
159.02948	13.1
182.08194	2.4
189.03925	3.2
231.05035	20.2
249.05983	5.9
340.21194	7.2
341.06876	2.7
354.46484	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	339.2894
Annotation	Glycidyl oleate
Peak:m/z	Relative Intensity
53.03934	1.6
55.01875	0.7
55.05512	33.9
55.87474	0.4
57.03438	10.8
57.06795	0.6
57.07076	11.1
62.39779	0.4
65.03941	0.6
67.05506	21.9
69.07069	41.6
70.07403	0.6
71.04984	1.5
71.08630	4.8
71.48997	0.7
79.05492	10.1
81.07057	21.9
83.04969	1.1
83.08620	25.1
83.96003	0.4
85.06556	1.1
85.10193	2.9
91.05479	2.3
93.06488	0.7
93.07047	12.3
95.04958	0.9
95.08609	21.6
97.06536	3.1
97.10169	14.1
97.42745	0.4
99.08073	0.7
105.07014	0.9
107.08588	7.7
109.10164	10.7
111.08072	1.3
111.11729	3.5
119.08579	1.1
121.09322	0.9
121.10144	9.0
123.11740	3.2
125.09663	0.7
125.13237	0.6
133.10088	0.9
135.11682	7.4
137.13266	1.0
139.11145	0.9
145.10060	0.5
149.13248	3.7
151.14804	1.0
153.12759	1.2
163.14815	1.3
165.16432	0.6
177.16278	0.7
191.17862	0.5
247.24229	1.4
265.25323	1.9
283.06146	0.7
291.46951	0.5
333.79126	0.5
339.28943	100.0
340.29312	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2534
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03947	2.5
55.01870	1.9
55.05515	14.5
57.03428	4.6
57.07065	4.1
63.25700	1.0
65.03922	2.8
67.05511	81.5
68.05830	1.4
69.07070	14.5
70.22688	4.8
71.04991	3.0
71.08624	1.2
75.04491	1.5
79.05498	44.8
81.07063	85.6
83.08639	6.1
85.06531	3.9
91.05489	24.9
92.85048	1.4
93.07053	65.0
95.04953	1.5
95.08615	76.6
97.06529	3.8
97.10143	5.5
99.08092	4.0
105.04518	2.2
105.07040	24.5
105.07706	2.6
107.08607	40.6
109.06484	2.2
109.10166	44.4
111.08086	2.0
111.11687	1.9
117.07021	9.3
118.43137	1.2
119.08598	20.1
121.10152	38.2
123.08096	2.1
123.11712	17.1
125.09633	1.8
131.08575	19.4
133.10159	13.6
135.10707	2.1
135.11700	33.5
137.13248	4.2
139.11215	3.6
145.09077	1.6
145.10146	26.3
147.11702	13.3
149.13271	24.0
151.14691	1.3
159.11710	22.4
161.13315	6.2
163.11223	1.4
163.14807	6.4
173.13278	17.0
175.14821	2.0
187.14845	6.7
187.50836	1.2
189.16350	1.5
201.16348	3.0
219.21094	6.1
229.19531	27.3
247.20595	100.0
249.22305	1.4
265.21680	4.1
283.06094	14.7
303.23267	1.6
321.24207	6.3
339.12292	4.0
339.25208	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	339.2532
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03941	2.9
55.05516	63.4
57.03413	2.3
57.07068	6.5
59.04993	2.7
67.05196	1.6
67.05511	24.4
69.03438	8.2
69.07072	43.6
69.93559	7.3
70.06579	1.8
71.04977	4.5
79.05505	14.9
81.03428	2.2
81.07063	73.2
83.04980	8.6
83.08630	9.9
85.02887	2.2
85.06535	7.9
91.05466	11.6
93.07051	27.9
95.04961	7.7
95.08616	59.7
97.02873	1.9
97.06512	10.3
97.10175	100.0
99.04431	2.1
99.08114	5.3
101.06001	2.0
105.07044	21.0
107.04943	1.9
107.08597	30.3
109.02884	2.3
109.06523	6.2
109.10166	36.3
111.08093	8.7
111.11720	6.5
113.09680	3.9
117.07019	2.2
119.08583	16.0
121.06494	3.6
121.10159	27.1
123.08042	3.7
123.11705	23.3
125.05927	2.6
125.09641	16.3
125.13293	1.8
131.08543	4.9
133.06525	2.1
133.10118	13.8
135.08090	4.4
135.11696	17.3
137.05991	2.8
137.09599	5.1
137.13298	8.5
139.07489	2.3
139.11192	19.3
141.09111	1.7
143.10680	33.7
145.10098	7.3
147.11722	10.8
149.09575	2.0
149.13277	8.9
151.11212	4.5
151.14830	4.9
153.12712	4.0
155.10648	2.3
157.10112	2.6
157.12239	6.9
159.11676	7.9
161.13234	4.7
163.11143	3.6
163.14830	4.3
165.09067	3.2
165.12785	4.3
167.14351	2.7
168.07980	1.8
171.10141	5.1
173.13269	4.5
175.14862	6.2
177.12723	3.0
179.14262	2.3
187.14819	3.7
189.11230	4.4
189.16452	2.8
190.07695	2.0
191.08533	3.0
191.14326	2.0
195.13802	3.6
201.16385	2.5
203.18034	2.4
205.15877	2.8
213.16362	2.3
218.07222	3.0
219.08087	6.8
221.06068	3.6
233.06174	1.8
235.07564	3.2
236.08412	2.9
247.07524	5.7
249.08946	2.5
251.10648	4.2
253.08774	2.1
261.09180	2.9
263.07068	3.2
264.07709	5.5
265.08691	2.3
267.20923	2.5
275.07062	2.3
275.23734	5.5
279.10126	6.0
281.08224	2.5
283.05975	6.5
285.22128	2.0
291.23318	2.3
292.07181	2.8
293.24866	5.0
303.23184	20.4
307.09573	10.8
311.12827	7.3
321.11282	2.2
321.24237	43.2
339.09076	1.6
339.12338	28.6
339.25479	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	6.6
55.05526	18.8
55.05729	3.0
57.03435	5.1
57.07080	10.0
67.05511	97.2
69.07062	15.0
71.48429	5.1
71.63842	3.4
79.05148	4.3
79.05500	50.2
79.80037	3.1
81.07070	100.0
83.04988	4.0
83.08613	7.3
85.06599	5.9
86.09714	7.7
87.10081	3.3
91.05480	29.1
93.07049	53.2
95.08617	89.3
97.06503	6.1
97.10118	4.3
105.07043	24.3
107.04969	5.3
107.08610	41.7
109.06497	4.6
109.10165	52.1
111.08092	5.6
117.07024	14.2
118.45464	3.4
119.08582	21.7
121.09356	4.2
121.10168	48.8
123.08054	4.4
123.11707	15.1
131.08580	26.4
133.10150	20.9
135.11728	32.6
137.13277	7.8
145.10121	20.8
147.11682	16.8
149.13271	21.1
153.01833	31.6
157.10143	3.7
159.11732	24.6
161.13251	7.3
163.14824	6.1
166.54758	3.7
167.08592	5.1
173.02336	6.5
173.13255	14.0
179.03378	9.4
187.14816	8.2
195.08131	4.8
213.09117	9.9
229.04930	11.9
229.19511	30.8
234.80934	4.1
246.68428	4.6
247.20593	94.7
255.06548	17.5
256.07257	6.9
265.21619	8.5
279.21515	5.2
283.06024	69.1
283.16885	15.4
284.06683	10.8
321.24185	10.7
339.08371	5.7
339.12311	86.5
339.19086	4.4
339.25552	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2533
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03946	1.6
55.05511	45.2
57.03444	1.0
57.07066	1.4
66.10329	0.9
67.05514	6.3
69.03432	2.0
69.07067	16.1
69.17030	7.0
71.04985	1.3
71.08637	1.0
79.05491	2.4
81.07059	15.8
83.04979	1.8
83.08610	3.8
85.06534	2.6
87.08111	1.3
91.05482	2.7
93.07045	7.3
95.04964	1.2
95.08617	18.4
97.06555	1.7
97.10175	100.0
98.10514	0.9
101.06028	1.4
105.07020	7.2
107.08598	8.5
109.06512	1.0
109.10168	10.5
111.08083	2.4
111.11726	1.3
119.08599	7.3
121.06518	1.1
121.10143	4.0
123.08052	0.9
123.11699	3.7
125.06030	0.9
125.09635	19.0
131.08565	1.1
133.10146	2.8
135.11691	6.5
137.05992	0.8
137.09605	1.5
137.13235	1.4
139.11194	1.7
143.10681	42.7
145.10115	2.6
145.94281	0.7
147.11702	4.3
149.13263	4.5
151.11145	1.6
151.14816	1.8
153.12766	0.8
155.10622	0.8
159.11731	2.4
161.13260	3.9
163.11235	1.0
163.14813	1.0
165.09126	0.8
165.12726	2.0
171.10158	7.2
173.13287	1.3
175.14877	1.1
177.16315	0.8
184.09979	0.7
187.14908	1.6
189.11227	6.7
189.16466	1.3
191.14316	1.4
195.08147	0.9
218.07162	1.1
235.07515	1.0
264.07886	1.5
265.08505	0.9
275.23822	1.5
277.21576	1.3
285.22079	2.2
291.23184	0.9
292.07172	0.9
293.08240	1.0
303.23215	8.7
307.09689	2.3
309.24228	2.7
311.12619	1.4
321.24274	13.7
339.08679	0.8
339.12534	5.8
339.25403	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	339.2532
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
51.86288	1.2
52.62157	1.1
55.05515	43.8
55.25512	1.6
57.07066	3.2
67.05502	9.3
69.03420	3.2
69.07067	19.0
70.06592	1.9
70.92896	1.6
70.93246	2.3
72.35845	1.5
79.01851	2.8
79.05490	5.6
81.03394	1.5
81.07059	21.1
83.08612	4.5
85.06551	2.6
86.09721	1.8
91.05467	6.8
93.07052	10.7
95.04986	2.2
95.08606	22.4
97.06547	1.8
97.10178	100.0
99.08075	2.2
105.07042	7.8
107.08582	9.5
109.10174	11.7
109.55817	1.4
111.08081	2.1
111.11700	2.5
119.08598	8.3
121.10152	7.4
123.08053	2.5
123.11695	6.3
125.09624	16.8
133.10107	3.3
135.08043	1.6
135.11670	8.6
137.06006	2.5
137.09650	1.8
137.13202	1.8
139.11191	3.0
143.08728	1.7
143.10689	43.7
143.11809	2.4
145.10130	3.8
147.11711	3.3
149.13264	4.3
151.07626	1.9
151.14781	2.2
153.08931	1.7
157.12270	1.8
159.11708	3.2
161.13237	4.2
163.14857	2.1
165.12711	2.8
171.10175	5.7
189.11238	7.5
219.08052	3.7
221.06068	1.8
235.07574	1.5
247.07562	2.9
251.10748	3.0
264.07730	1.9
279.10068	3.8
281.08047	2.5
283.06079	9.6
303.23251	8.8
307.09787	7.3
309.24304	2.5
311.12939	2.7
321.24252	13.5
339.12271	19.3
339.19009	1.6
339.25354	2.9
340.12738	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.6
55.05499	1.2
56.05042	2.5
60.04524	1.4
61.02925	1.1
62.06080	0.7
65.03941	0.6
67.05499	3.0
69.03429	1.0
69.07063	0.7
69.32735	1.5
69.33157	2.6
70.06590	5.7
71.05002	10.6
71.08674	0.5
72.08150	1.8
74.06049	0.7
79.05490	1.4
81.03412	0.6
81.07060	6.2
81.74361	0.5
82.02933	1.6
83.06110	0.6
84.04511	16.6
84.08149	4.7
85.02917	3.1
85.06530	1.5
86.09717	3.4
89.03915	1.0
91.05479	6.6
95.01357	0.7
95.04968	0.6
95.08604	0.8
97.06539	0.5
102.05568	3.4
103.05467	6.7
104.06251	3.4
105.06514	0.5
105.07053	5.2
107.04967	1.3
110.06020	0.5
110.07169	1.1
117.03378	2.1
119.04948	2.8
120.08112	2.3
121.02905	0.6
121.06494	0.7
122.06038	1.9
123.04485	0.9
123.11709	1.9
124.07661	0.6
124.82518	0.5
128.08311	0.5
129.10245	1.0
130.05013	3.3
131.04924	8.0
132.05681	0.6
132.08092	1.1
133.08876	10.4
133.09860	0.4
135.04398	5.5
136.07565	2.3
137.06004	0.6
141.01740	0.8
141.12747	9.8
145.02794	2.3
146.09775	0.6
147.04427	12.9
147.05551	1.1
148.06041	1.4
148.11215	100.0
149.11531	1.7
150.05540	1.0
152.07024	0.6
159.04408	0.9
159.09183	2.1
159.13797	3.6
161.05936	0.6
161.10760	0.6
163.03909	23.0
164.07127	0.8
164.10719	0.7
168.06709	0.7
175.03903	1.2
177.01884	1.2
177.04140	0.7
177.05421	3.0
177.14851	2.3
180.06540	0.8
186.09132	0.6
187.03859	0.9
189.05501	0.8
191.03474	2.4
192.10184	15.2
203.03403	17.6
205.04956	1.0
205.09703	1.5
215.03432	1.0
219.02892	12.1
231.02884	1.9
233.04533	0.9
243.07762	0.7
248.60895	0.6
254.23038	0.5
260.09241	1.1
261.03961	2.3
267.46960	0.5
279.04993	10.7
289.08270	1.5
291.04834	0.6
293.08234	0.6
293.15143	0.7
307.09421	0.8
321.14478	0.9
339.07410	0.7
339.12476	0.8
339.15536	19.7
339.18805	0.8
340.15628	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.6
55.05510	0.3
56.05041	0.3
56.96334	0.3
56.96568	2.9
57.03451	1.3
57.03666	0.2
58.01854	0.2
58.06606	0.5
60.04534	0.3
60.95825	0.3
61.02924	1.5
67.05480	0.3
69.03436	3.4
70.06592	1.7
70.98121	0.4
71.04986	0.7
71.47466	0.4
72.08163	0.7
73.02921	1.6
74.06052	0.4
79.05466	0.3
81.03426	1.2
81.07054	0.3
83.01343	0.3
83.06119	0.3
84.04504	0.4
84.08148	1.9
84.96024	0.6
84.98585	0.3
85.02911	7.4
86.03226	0.6
86.09709	0.6
87.04451	0.7
89.03928	1.8
91.03943	0.3
91.05480	0.4
95.04954	0.3
97.02898	3.3
98.97594	6.8
99.04459	0.4
99.97906	0.3
101.00898	1.2
103.00623	0.8
103.05405	0.3
105.02227	0.4
105.07048	0.8
107.04961	0.7
109.02896	0.8
110.07158	0.8
110.97561	1.5
113.00826	0.7
115.02413	0.3
115.05469	2.3
116.98627	2.6
117.02145	0.2
117.03391	0.8
117.05720	1.1
118.06548	0.4
119.01917	1.5
119.04940	0.6
121.01676	0.7
122.01340	0.2
124.04662	0.4
127.02447	0.3
127.03925	2.6
128.98628	1.6
129.02148	0.5
129.10237	0.4
130.06519	0.5
130.12302	0.5
131.00101	0.3
131.01903	0.9
131.04991	0.6
131.12602	0.4
132.08099	4.7
133.01680	0.7
133.02698	0.3
133.03612	0.3
133.06494	1.0
134.05986	0.3
134.99657	0.8
135.03441	0.3
135.04411	1.9
136.07591	0.4
137.05925	0.3
142.06554	0.5
143.00206	0.5
143.01915	1.3
143.03737	0.3
143.07341	0.4
145.01746	0.5
145.02736	0.6
145.03587	0.5
145.04948	1.3
146.99689	0.9
147.03218	1.8
147.04352	0.5
148.07613	1.6
149.05952	0.4
151.03981	0.7
155.00179	0.4
155.01892	1.1
156.98120	0.3
157.01599	0.4
157.03471	0.7
158.99652	1.8
159.03218	0.4
159.04959	0.5
159.06815	0.6
160.07585	100.0
161.02954	1.0
161.04745	0.2
161.05997	0.4
161.07944	0.9
163.02679	0.4
163.03906	5.7
164.04228	0.8
164.10762	0.4
165.00642	0.4
165.04305	0.4
167.02051	0.3
168.05415	4.5
168.55669	0.4
169.05382	0.4
170.99675	0.8
172.07603	0.3
173.01259	0.6
173.02948	1.2
173.04620	0.5
174.03125	0.3
175.02742	1.1
176.12883	0.4
177.00722	1.6
177.04193	0.6
177.06058	1.9
177.10243	8.2
177.13158	0.4
183.05022	0.3
185.03003	0.9
187.02686	0.3
188.56718	0.3
189.00743	1.0
190.98698	0.5
191.02164	0.6
191.03899	0.3
191.05823	0.3
194.97946	0.3
194.99783	0.2
195.05115	0.6
196.04823	0.2
197.03107	0.4
197.04823	0.3
201.00868	0.7
202.08678	0.8
203.03740	0.7
203.07091	0.4
205.03633	0.3
205.05318	0.4
207.01927	0.3
207.06558	0.3
211.02689	0.4
219.01756	4.2
219.05147	0.6
221.01735	0.6
221.05112	0.4
223.02708	0.6
223.04761	0.5
231.01895	0.8
231.04967	0.3
233.03024	0.3
237.02800	2.3
237.06335	0.4
239.04143	0.3
241.03761	0.3
241.05957	0.5
244.08586	0.4
245.05144	1.2
247.04561	0.4
247.95007	0.2
249.02902	0.4
249.05995	0.5
249.08453	1.1
255.01775	0.6
255.04007	0.5
258.08737	1.6
258.58658	0.4
259.04883	0.9
273.02786	0.5
274.42490	0.2
277.05933	0.7
279.03909	0.8
279.07632	0.4
285.06454	0.8
304.11752	0.4
307.06857	0.5
307.99139	0.2
310.12814	0.6
317.05197	0.8
321.05130	0.4
321.14218	0.4
322.12845	13.9
335.06073	1.0
335.10178	0.7
337.09811	0.5
339.04025	0.5
339.09238	0.8
339.12140	0.7
339.15500	3.2
357.13358	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1551
Annotation	Aziridyl benzoquinone
Peak:m/z	Relative Intensity
53.03933	0.7
54.87104	0.5
55.01867	1.5
55.05502	2.0
57.03440	2.5
58.06589	0.5
61.02907	1.5
64.76188	0.5
67.05496	2.3
69.03432	7.7
69.07053	1.5
70.06579	1.3
70.13161	2.1
71.01352	0.8
71.04976	2.1
77.17844	0.5
79.05499	1.5
81.03405	1.3
81.07057	3.2
83.08617	0.7
84.04500	1.5
84.08138	0.9
85.06535	2.1
87.38760	0.6
90.25009	0.5
91.05480	1.4
93.07031	2.4
95.04949	0.9
95.08603	5.0
98.21519	0.6
99.04458	1.4
100.11237	1.0
105.07003	1.9
107.04930	0.6
107.08577	1.7
109.06521	1.1
109.10162	2.6
111.08092	1.3
113.06009	0.7
118.06546	3.7
119.08553	0.8
120.08112	1.3
121.10149	1.1
123.11731	1.0
125.09612	1.6
133.10109	0.8
135.11656	0.8
136.07607	0.9
137.09596	1.6
145.06447	0.9
145.07597	12.7
146.08406	0.7
147.08066	0.5
147.09167	8.4
147.11696	0.9
149.13252	0.7
151.03929	0.7
154.12323	1.0
155.10628	0.7
159.09181	4.8
160.09940	1.0
165.09122	1.4
167.10835	0.7
168.10165	0.6
170.06017	0.6
171.14963	0.7
173.07056	4.4
175.08665	0.9
177.05466	0.9
182.08202	0.8
185.10820	1.4
191.08160	100.0
192.08569	1.3
197.10802	0.6
205.09726	59.4
206.09999	0.7
219.08128	1.0
227.60889	0.5
247.07564	0.6
263.13934	2.0
279.10162	0.7
289.11539	0.9
307.09570	0.8
307.12845	9.5
309.30441	0.6
321.24341	0.6
339.15515	92.5
340.15714	1.3
349.33258	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1228
Annotation	Crotalarin
Peak:m/z	Relative Intensity
51.02364	0.3
53.00303	0.3
55.01871	1.7
57.27645	0.3
65.03905	0.3
70.32226	1.1
71.94353	0.3
79.01859	12.2
79.05462	0.3
81.52876	0.3
83.11387	0.3
89.71735	0.3
91.05479	0.3
96.56336	0.3
102.71438	0.3
111.04414	0.4
119.04967	0.8
121.02878	9.7
121.10184	0.3
137.02312	0.7
141.01797	0.3
144.78464	0.3
145.02841	2.8
145.06451	0.6
147.57437	0.3
157.06479	1.7
163.03868	0.6
165.01831	2.4
169.75131	0.3
170.25453	0.3
173.13277	0.4
181.06427	0.4
183.02895	1.3
185.06023	1.5
211.03882	0.5
213.05470	9.3
241.04968	0.7
255.06523	1.9
259.06058	2.1
272.12961	0.3
283.06015	100.0
284.06430	2.4
339.12280	56.3
340.12592	1.0
364.70056	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.123
Annotation	Crotalarin
Peak:m/z	Relative Intensity
50.72934	0.1
55.01872	0.4
55.71468	0.1
58.87921	0.1
58.92550	0.1
68.99792	0.2
69.07059	0.2
70.11117	0.2
79.01843	0.2
88.02360	0.2
91.05478	0.3
97.37119	0.1
119.04948	1.1
119.52859	0.1
121.02862	3.5
123.00810	1.0
131.04900	0.1
137.02339	1.2
141.01840	1.5
145.06499	0.2
153.07021	0.2
161.90793	0.2
165.01846	7.6
171.08083	0.3
173.05974	0.2
181.06490	0.4
183.02913	1.3
199.07510	0.3
209.05887	0.2
227.06909	0.4
229.05009	0.4
237.05569	0.2
255.06544	1.7
265.05075	0.3
271.06323	0.2
283.06021	100.0
284.06348	1.9
339.12286	8.6
340.12451	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1229
Annotation	Crotalarin
Peak:m/z	Relative Intensity
65.52151	0.8
67.05495	1.0
68.99786	1.2
69.07075	57.7
71.13289	0.7
71.13612	1.2
79.01861	1.6
97.07909	0.8
103.05464	1.3
121.02888	1.0
128.60127	0.7
131.04907	1.5
131.08542	0.8
145.02884	1.4
147.04451	0.9
149.02364	2.7
153.01842	8.5
157.06453	1.1
185.06050	1.3
187.07590	0.9
199.07574	2.8
215.06999	4.2
224.49605	0.7
227.07108	2.1
243.06551	2.9
253.05051	2.2
255.06546	14.3
271.06033	75.8
272.06580	0.9
283.06030	100.0
284.06396	2.8
329.65012	1.0
339.12296	43.6
340.12967	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1074
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
53.03934	0.9
53.18567	0.7
53.97216	0.7
55.05512	1.2
56.05035	0.8
56.96526	0.7
60.04509	1.0
65.03942	3.6
65.44273	0.6
66.97716	0.7
67.05494	2.7
68.99774	1.1
69.03432	9.7
69.07069	1.2
70.06602	6.2
71.04972	1.3
71.48695	0.9
72.08160	5.0
79.05484	3.2
81.03402	2.7
81.07061	3.5
83.04974	1.5
84.04504	1.3
84.08144	4.3
85.02899	1.7
85.06525	2.2
86.09704	3.7
87.00816	0.9
90.89359	0.8
91.05488	81.9
93.07047	2.7
95.04986	1.6
95.08585	1.9
97.02879	3.9
97.06531	1.3
99.04440	1.0
99.79142	0.8
103.05474	1.8
105.07030	2.8
107.04943	2.3
107.08595	2.5
109.02854	1.6
109.06511	2.4
109.10155	1.8
110.07160	1.0
119.04969	6.0
119.08541	1.2
120.08105	1.5
121.02887	1.6
121.06469	2.4
121.10162	0.8
123.04406	2.1
123.08080	1.7
124.07551	1.1
125.06003	0.8
125.09617	8.9
129.06976	0.7
129.10246	2.2
131.04924	2.3
131.08539	1.9
133.06476	0.9
133.10138	0.8
135.04446	2.2
136.07581	1.6
137.02351	3.3
137.05969	3.4
145.02866	0.9
147.04420	20.0
149.02370	2.3
149.06099	0.9
149.09602	1.0
151.07541	0.9
159.04362	2.0
159.08026	2.2
161.02348	2.3
163.03885	2.4
163.11137	1.1
164.07114	0.8
165.01860	2.5
165.09209	1.2
167.03433	2.1
167.10655	0.9
177.05457	5.5
183.02826	1.2
187.03896	2.1
190.02707	1.7
203.03410	0.8
203.12093	0.9
205.01314	0.8
205.04965	5.8
207.38510	0.8
209.12811	0.8
217.12201	1.2
223.06071	0.8
235.13272	1.8
247.07523	1.3
249.66904	0.8
265.08560	0.8
268.07324	1.0
271.06067	0.9
283.06088	7.0
293.08160	1.1
295.05936	4.7
296.06659	1.8
297.07535	1.7
299.05551	3.9
307.09561	1.7
309.07651	1.8
311.05536	1.2
311.09116	14.4
321.07602	4.6
321.13879	1.6
322.13779	2.1
323.05502	1.3
324.06482	5.5
339.05182	5.6
339.08636	100.0
339.15500	3.2
340.08994	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1077
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
54.65279	0.8
67.05512	0.7
70.06592	3.2
70.77083	1.7
72.08162	1.0
83.04974	0.8
84.08128	1.0
84.28622	0.6
85.02908	0.8
86.09708	1.4
91.05479	11.1
113.96624	0.6
119.04949	26.1
120.08120	1.6
129.10196	0.8
135.04436	0.8
147.04417	100.0
148.04671	0.7
175.30426	0.7
177.05449	0.9
190.65382	0.6
210.43091	0.6
217.61491	0.6
226.24536	0.7
308.91129	0.8
339.12158	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03687	0.6
55.01881	1.2
55.05498	2.0
56.05030	0.9
57.03435	1.2
60.04529	1.2
65.03959	0.7
67.05491	1.1
69.03418	1.4
69.07072	0.8
70.06595	10.1
70.11835	0.9
70.12171	2.8
72.08167	7.5
74.06094	1.0
79.05492	2.1
81.03426	1.1
82.51068	0.6
83.04995	0.9
83.32334	0.7
84.04504	3.2
84.08157	8.7
85.02901	1.3
86.09680	5.0
89.03912	4.8
89.43938	0.7
91.05473	4.9
95.01334	2.5
95.04960	0.9
98.11852	0.8
102.05577	0.9
103.05477	2.2
105.07053	1.7
107.04959	3.3
110.07153	2.0
112.08707	0.9
115.05424	1.2
115.08703	1.0
117.03374	7.7
117.07018	1.0
119.04964	7.3
120.08117	3.1
121.02841	2.0
121.06513	1.1
122.06020	2.1
123.04441	2.3
128.10701	1.1
129.03351	0.8
129.10251	4.2
130.05006	0.7
131.04924	5.5
135.04416	19.2
136.07590	2.6
139.03947	1.4
141.01819	1.5
143.04932	0.9
145.02888	6.6
145.06502	0.8
147.04417	48.6
148.03941	2.6
148.11201	8.7
149.02371	2.8
149.05975	1.2
150.05501	1.5
151.03889	1.4
159.04422	3.2
161.06017	1.3
163.03914	100.0
166.04976	3.9
173.05998	1.0
175.03874	4.5
177.01820	2.8
177.04007	1.9
177.05466	2.9
178.04990	1.2
186.05499	0.8
187.03853	4.1
188.04482	0.8
189.05443	1.8
191.03345	0.8
192.10211	0.8
196.97006	0.6
203.03406	89.3
204.03712	1.7
204.05920	0.6
205.04977	4.4
215.03374	5.6
217.04955	0.9
218.02713	1.2
219.02994	1.6
219.08043	0.8
220.04344	1.3
229.04964	2.7
231.02876	12.1
231.06343	0.8
233.04465	3.9
236.03813	1.3
261.03964	6.0
275.06781	1.6
279.04929	7.1
291.04959	4.3
321.05673	2.2
339.07352	5.9
339.15543	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	339.0714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	0.5
55.05508	0.7
58.46030	0.4
60.04523	0.7
69.18020	3.2
69.18449	1.8
70.06594	8.1
72.08154	4.7
74.06077	0.8
77.03921	0.6
79.05486	1.5
80.10397	0.5
81.03398	0.5
84.04500	1.9
84.08141	5.1
85.02897	1.0
86.09702	2.5
89.03917	5.9
91.05470	2.6
93.65304	0.6
95.01330	2.8
98.02543	0.5
102.05540	0.5
103.05482	1.7
105.07008	0.9
107.04932	2.5
109.02904	0.6
110.07164	0.9
110.71210	0.6
115.05456	1.1
117.03376	8.4
119.04989	3.8
120.08101	1.7
121.02867	1.4
123.04441	2.2
128.10722	0.5
129.01875	0.7
129.03381	0.7
129.10214	2.2
131.04930	3.6
133.06531	0.7
133.08835	0.8
135.04422	23.5
136.07616	1.3
139.03891	0.7
141.01813	1.5
145.02859	8.9
147.04416	35.1
148.03917	3.8
148.11209	6.9
149.02356	3.3
149.06035	0.9
150.05515	0.8
151.03912	0.9
152.07111	0.6
159.04396	3.3
161.06001	1.2
163.03911	100.0
164.04498	0.7
164.06993	0.8
165.05457	0.8
166.05005	7.6
173.06010	0.7
173.12833	0.5
175.03926	4.0
177.01854	3.2
177.03940	1.3
177.05333	3.9
177.06688	0.5
183.04384	0.6
185.05898	0.6
187.03929	3.4
189.05489	1.8
191.03429	1.0
192.10207	1.3
201.05464	1.2
203.03403	94.2
204.03725	0.9
205.04929	5.2
205.06522	0.7
207.06430	0.6
213.05513	0.9
215.03412	5.0
219.03023	1.0
229.04987	2.0
231.02888	12.0
233.04326	3.2
257.04523	0.9
261.03931	5.2
275.06467	0.7
279.04965	8.0
291.04977	5.5
339.07370	5.2
339.15479	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.4
55.05516	1.0
56.05035	0.6
65.03940	0.6
66.64111	0.5
67.05519	0.7
68.99806	0.4
69.03436	0.6
70.06600	5.6
71.01371	0.4
71.47482	0.4
72.08161	3.2
79.05508	1.4
81.07043	0.5
83.06082	0.5
84.04509	2.3
84.08155	4.1
85.02923	2.0
86.09695	2.8
89.03923	4.8
91.05476	2.5
93.07034	0.5
94.88809	0.4
95.01326	2.4
95.04958	0.6
98.97614	0.7
99.74960	0.5
103.05482	1.9
104.98000	0.4
105.03410	0.4
105.07017	1.3
107.04974	2.5
107.08597	0.5
110.06055	0.8
110.07193	0.9
115.05441	0.7
117.03380	7.1
117.53886	0.5
119.04950	3.7
120.08131	1.4
121.02863	1.5
121.06510	0.6
122.06043	1.1
123.04440	1.6
124.07579	0.9
129.01857	0.5
129.10255	1.4
130.04994	1.1
131.04945	4.4
133.08878	1.2
135.04422	20.5
136.07579	1.0
137.02307	0.5
137.05980	0.8
138.05515	0.8
138.09172	0.4
139.03909	0.8
141.01837	2.0
145.02840	7.5
145.03883	0.7
146.03630	0.7
147.04425	34.0
148.03926	7.3
148.04953	0.7
148.11224	10.3
149.02341	3.5
149.05984	0.9
150.05521	0.5
151.03931	0.7
152.07068	0.9
159.04428	2.5
161.05998	1.4
163.03918	100.0
164.04279	1.1
164.07112	0.6
165.05510	0.8
166.05025	13.1
173.06000	0.9
175.03920	5.7
177.01872	2.8
177.03917	1.7
177.05489	3.9
178.04980	0.6
179.03401	0.5
180.06522	0.5
181.04990	0.6
182.08163	0.6
183.04390	0.7
187.03880	2.6
189.01860	0.5
189.05513	1.8
191.03394	1.3
192.10205	1.5
193.04985	0.9
195.02943	0.6
201.05499	0.7
203.03410	98.9
204.03757	1.3
205.04974	4.3
207.06564	1.0
213.05556	0.7
215.03406	5.1
217.04858	0.6
219.02927	1.5
229.05016	2.3
231.02899	11.7
231.06483	0.9
233.04396	3.8
235.72490	0.4
237.05525	0.5
247.02231	0.7
247.06041	0.5
255.04350	0.5
259.05972	0.9
261.03949	6.3
275.05771	0.6
279.04913	7.2
279.07291	0.5
291.05014	3.7
303.04779	0.6
307.09628	0.5
321.05716	0.5
321.14328	0.7
339.07877	6.6
339.15469	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	337.2739
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
51.74088	0.8
53.03939	3.1
55.01866	1.5
55.05517	39.1
57.03445	24.4
57.07084	7.3
65.03938	3.4
67.05511	87.5
69.07076	47.1
70.61987	3.0
71.05002	2.6
71.08627	3.4
79.05502	23.2
81.07065	88.1
82.07357	1.2
83.04991	2.0
83.08159	1.3
83.08631	23.1
85.06549	3.5
85.10184	1.7
91.05495	14.6
93.06497	1.4
93.07053	24.2
95.04965	1.3
95.08617	68.5
97.06545	5.6
97.10180	12.9
99.08094	1.8
105.07053	10.2
106.24841	0.9
107.08617	12.7
109.06544	1.2
109.10168	24.0
109.49425	0.9
111.08085	3.9
111.11718	2.7
119.08599	9.3
121.10149	11.8
123.11712	11.5
125.09651	1.1
133.10153	8.0
135.11719	6.6
137.13263	4.8
147.11674	5.6
149.13287	4.9
151.14842	1.7
161.13263	4.0
163.14848	3.7
165.12794	1.1
165.16454	1.1
175.14813	2.9
189.16342	1.7
245.22633	2.5
263.23721	7.5
337.27396	100.0
338.27658	2.2
338.76776	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.3
55.01859	4.9
55.05511	49.1
57.03424	6.0
57.07063	7.7
59.04977	1.6
65.03935	1.9
67.05508	37.0
68.99780	3.1
69.03418	6.4
69.07069	87.0
71.04994	3.3
71.08611	2.7
71.48560	3.1
73.06568	3.6
74.99684	1.8
77.03953	2.7
79.05490	14.3
81.03401	2.3
81.07058	78.8
83.04974	7.3
83.08624	12.3
83.95159	1.6
84.08139	3.3
85.02858	1.9
85.06546	9.6
91.05470	9.9
93.07044	41.4
95.04959	4.2
95.08611	86.6
97.06521	15.5
97.10174	89.6
99.08059	1.8
103.40207	1.7
105.07039	15.5
107.05007	1.9
107.08598	44.5
109.06525	6.2
109.10157	30.7
111.08090	25.5
111.11723	29.6
113.09657	2.9
119.04942	1.8
119.08594	11.5
120.37115	1.5
121.06511	1.7
121.10147	29.8
123.04385	3.1
123.08076	4.4
123.11707	42.7
125.09660	12.9
128.06181	2.6
129.07057	3.5
129.12794	1.9
131.08519	2.9
133.10146	10.2
135.11702	22.3
137.09628	7.4
137.13234	9.1
139.11191	49.4
141.07034	2.0
141.09108	2.4
143.08598	2.1
143.10675	2.1
145.10167	2.3
147.11720	10.7
149.13269	40.1
151.11198	6.1
153.01837	78.9
153.06956	1.8
153.12759	17.8
155.08569	4.5
156.09370	1.7
157.06487	2.2
157.10141	2.9
157.12241	15.2
159.11676	5.6
161.13249	7.4
163.03912	2.1
163.11194	3.2
163.14882	8.6
165.07004	1.8
165.12729	3.5
167.14339	1.9
169.06485	3.0
171.08047	4.7
171.13809	48.6
171.15289	3.0
172.08896	2.1
173.13222	2.7
175.14775	1.8
179.03426	3.0
183.08067	7.7
185.05905	1.8
185.09666	1.7
185.11752	2.3
185.15373	6.3
187.11232	2.3
189.16385	2.7
203.12721	2.7
203.17947	2.1
207.17450	2.0
211.07558	7.6
217.14293	3.1
235.16899	2.4
253.04936	2.1
259.24252	3.2
267.06558	4.7
269.22693	2.4
277.25305	6.1
282.05560	2.2
283.06073	3.7
287.23727	6.4
291.09964	2.2
295.05905	10.1
296.06415	1.7
301.08649	2.8
303.06497	2.4
304.07352	3.1
305.24744	25.4
307.05713	1.9
309.11215	6.0
319.09598	9.4
319.26193	5.9
321.07352	2.0
337.07242	4.2
337.10693	100.0
337.27466	23.9
338.11096	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	337.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.5
55.01843	2.2
55.05280	1.4
55.05513	19.9
55.28154	1.3
57.03440	1.4
57.07061	2.9
59.04998	12.6
61.59810	1.6
67.05504	15.8
69.03136	1.1
69.03436	10.9
69.07071	100.0
70.06590	2.5
71.04977	2.4
74.60975	1.4
77.06030	5.0
79.05499	10.6
81.03402	1.9
81.06599	1.7
81.07059	28.6
83.04956	4.7
83.08605	4.4
84.08118	5.9
85.02913	2.1
85.06536	3.9
86.09715	1.7
87.04025	2.0
87.04477	32.8
89.06037	17.3
91.05482	10.3
92.36543	1.4
93.07054	19.6
95.04977	7.4
95.08611	19.1
97.06557	7.6
97.10149	5.4
99.04482	1.6
99.08069	2.3
101.06018	1.9
103.03950	52.7
103.07581	9.3
105.07034	20.9
107.04916	2.2
107.07033	4.8
107.07967	1.6
107.08598	17.4
107.43375	1.7
109.06483	6.6
109.10163	25.0
111.08054	6.2
111.11729	16.5
119.04943	1.5
119.06956	1.7
119.08592	13.9
121.06537	3.0
121.10153	9.2
123.04361	2.3
123.08083	3.4
123.11681	7.4
125.09630	11.6
127.11134	4.3
128.06261	2.3
129.12721	2.8
131.07033	3.5
131.08548	6.0
133.08560	4.7
133.10139	15.4
135.08046	4.5
135.11694	9.7
137.09563	4.8
137.13272	2.2
139.07498	3.2
139.11133	4.3
143.08482	2.2
145.10109	5.6
147.06470	3.7
147.08049	2.8
147.11681	9.3
149.09622	3.5
149.13348	3.2
151.07526	1.7
151.09685	2.0
151.11099	2.5
153.01851	17.0
153.09021	1.8
157.10103	4.5
159.11641	5.5
160.07542	1.9
161.09569	3.8
161.13251	2.7
163.09671	27.2
163.11018	2.7
165.09123	3.6
167.10614	1.8
173.13219	4.4
175.11131	4.9
175.14746	5.6
177.12733	1.8
183.10144	1.9
185.13228	2.1
187.14746	1.9
191.09070	4.5
191.14188	1.6
207.13765	3.4
209.10143	6.0
223.07472	2.4
231.08038	1.8
234.06760	2.0
247.07555	2.5
249.08923	2.4
251.06874	2.1
267.06476	2.0
273.21701	1.7
277.08459	6.0
279.06339	2.7
283.20477	2.1
293.08060	2.0
293.16418	1.5
294.08908	2.3
295.05911	4.6
301.21686	7.7
305.07846	3.5
309.07416	2.1
309.10898	2.7
319.09531	5.6
319.19186	1.8
319.22586	6.0
321.07700	1.7
322.08362	2.6
336.36813	1.6
337.07126	2.9
337.10583	52.8
337.23776	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	337.1434
Annotation	Emoroidenone
Peak:m/z	Relative Intensity
50.54214	0.9
53.03935	2.0
55.05505	3.3
65.03928	2.1
67.05508	40.5
67.58378	1.0
69.07074	9.0
69.83340	6.0
79.05495	8.0
81.07057	16.0
91.05493	6.3
93.07050	7.0
94.39938	1.0
95.04984	2.0
95.08623	1.6
105.03408	1.2
105.07027	3.7
107.04954	6.5
107.08610	5.9
109.06548	5.9
109.10162	96.9
110.10533	1.6
112.69965	1.1
115.05475	1.6
117.07021	2.0
119.08601	2.5
121.02816	1.4
121.06508	16.1
121.10139	3.2
123.04398	1.6
129.07008	2.2
131.04910	2.2
131.08574	5.5
135.04431	6.2
135.11714	2.7
141.06935	2.6
144.05756	1.7
144.09276	1.3
145.06516	3.2
145.10109	1.3
147.04448	5.6
147.08076	1.7
148.04858	1.2
149.09613	4.9
151.03894	2.7
154.07834	1.7
157.06522	1.3
158.07309	7.6
159.04437	1.3
159.08090	10.4
159.11665	8.9
163.03929	33.0
166.78401	1.0
169.10120	1.8
172.08870	13.4
173.09608	1.7
175.11095	2.7
177.05470	1.9
187.03888	3.3
187.11188	100.0
191.03343	1.4
197.05927	1.4
203.03404	21.0
215.03468	2.1
215.07086	5.0
225.09085	1.3
227.03438	2.7
229.04927	1.8
229.08580	1.3
239.03380	12.4
241.08672	1.7
253.05077	1.4
253.08635	2.5
255.06496	1.7
269.08109	5.3
281.08109	14.4
291.13635	1.0
295.09821	1.3
309.14938	4.8
319.13367	1.8
337.10440	2.7
337.14362	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	337.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00630	1.2
53.03942	2.5
55.05513	2.1
65.03947	2.3
67.01854	1.8
67.05507	34.4
68.99796	2.0
69.03426	2.6
69.07059	7.4
70.79885	2.9
72.58800	1.3
79.05491	5.1
81.03477	1.4
81.07052	12.0
84.68119	1.2
91.05476	6.0
93.07056	6.9
103.05496	1.5
105.07039	4.9
107.04937	5.3
107.08576	5.3
109.06519	3.9
109.10161	80.3
115.05444	2.6
117.07062	2.1
119.04937	2.9
121.06527	12.9
121.10157	1.6
123.04420	2.6
128.06175	1.7
131.04918	2.7
131.08542	5.1
135.04430	6.0
135.11665	1.8
141.07021	2.1
142.07704	1.8
144.05646	1.7
145.06470	3.6
147.04437	3.9
149.02374	1.7
149.09630	5.8
151.03903	3.1
153.01833	73.9
154.07784	2.0
155.08562	3.4
157.06453	3.7
158.07317	5.6
159.04376	2.3
159.08075	9.1
159.11729	6.1
163.03915	29.2
165.07016	2.0
168.05798	1.6
169.10112	3.3
171.08051	3.9
172.08830	11.2
175.11177	2.8
179.03432	4.0
183.08084	11.4
187.03990	2.0
187.11185	79.9
188.11569	1.4
191.03377	2.4
203.03409	24.0
211.07455	7.2
213.08998	1.5
215.03404	2.4
215.07063	5.3
227.03271	2.3
235.11026	1.6
239.03471	7.9
239.07002	1.7
253.05016	3.9
253.08687	1.8
255.06567	3.0
267.06555	4.0
269.08078	4.4
279.06592	2.9
281.08133	11.2
282.05170	1.4
287.07141	1.6
295.06036	10.6
295.09335	2.7
303.06436	3.0
304.07339	1.4
309.11206	5.0
309.14508	2.7
319.09683	8.9
319.13126	2.8
320.10529	1.5
322.08270	2.5
337.10678	100.0
337.14429	31.8
338.11029	2.6
338.14728	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1434
Annotation	Emoroidenone
Peak:m/z	Relative Intensity
55.05516	2.4
58.70860	1.2
67.05511	42.6
68.67357	1.5
69.07072	8.4
69.52577	8.5
79.05495	10.3
81.07050	17.8
90.03107	1.7
91.05480	7.7
93.07053	6.2
95.04962	2.3
95.08615	2.4
103.05429	1.5
103.86019	1.4
105.07063	4.0
107.04941	7.3
107.08584	8.9
108.79176	1.4
109.06525	5.4
109.10159	100.0
117.06961	3.2
117.97552	1.3
119.08606	2.5
121.06508	20.0
121.10146	4.9
129.07024	2.4
131.04935	3.8
131.08560	6.1
135.04416	5.6
135.11700	4.3
141.07018	2.8
141.92445	1.5
144.09285	1.8
145.06500	4.1
145.10214	1.5
147.04387	8.5
149.09601	7.0
153.01808	2.9
157.10143	1.6
158.07314	10.2
159.04445	2.7
159.08044	8.6
159.11678	7.8
161.09615	2.8
163.03906	35.8
169.10065	2.9
172.08830	12.1
175.03854	1.9
175.11272	3.6
179.08533	1.7
187.03807	1.7
187.11185	94.1
189.05460	2.1
203.03401	32.7
203.08507	1.5
211.07448	1.7
213.09271	1.8
215.07085	5.0
227.03433	3.6
237.05585	1.5
239.03450	10.5
241.08488	2.5
253.04991	2.3
253.08635	3.8
255.06471	3.0
267.06607	1.9
269.08115	5.6
281.08090	18.4
290.84076	1.4
295.05988	2.1
309.14941	2.8
319.13181	2.3
337.06668	2.1
337.10620	12.5
337.14374	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	337.1073
Annotation	Yinyanghuo C
Peak:m/z	Relative Intensity
55.01884	0.5
55.05514	0.9
60.59117	0.3
65.03939	1.0
67.01854	1.3
67.05510	2.3
68.99792	2.0
69.03410	1.0
69.07069	0.6
71.08847	0.3
71.09158	0.4
79.01873	0.4
79.05502	0.5
81.07050	1.0
83.29797	0.3
84.08161	0.3
91.05480	0.9
93.07043	0.6
95.04974	0.4
95.08588	0.8
97.02887	0.6
103.05457	0.5
105.07025	1.6
107.04958	0.6
107.08571	0.5
109.10148	0.4
111.00829	0.4
115.05466	2.3
116.06243	0.5
116.42925	0.3
119.04951	0.8
119.08591	0.6
121.02859	0.8
121.06499	0.3
122.16650	0.3
123.04427	1.1
128.06226	1.4
129.07011	1.3
131.04910	1.0
131.08531	0.8
139.03943	0.6
141.06970	1.8
142.07784	1.1
143.05019	0.4
143.08568	0.8
144.05672	0.9
145.06508	1.2
149.02351	1.3
151.03998	0.4
152.06218	1.2
153.01840	48.7
153.06989	1.5
154.02087	0.4
154.07732	0.4
155.08546	1.6
156.05711	0.5
157.06462	1.8
157.10089	0.7
159.08054	1.2
163.03915	1.1
165.01837	0.5
165.06999	2.4
165.50278	0.3
167.08536	0.5
168.05759	0.7
169.06454	1.9
170.07231	1.9
171.08037	2.9
172.08847	2.2
179.03394	1.2
179.08565	0.4
182.07278	0.5
183.02925	0.5
183.08055	2.8
184.08841	0.6
185.09593	2.4
191.03412	1.2
197.05991	0.7
197.09621	0.6
199.07530	0.7
201.09122	0.3
203.03419	0.5
207.08095	0.6
210.06744	0.4
211.07523	5.1
217.05051	0.5
219.02280	0.3
221.06017	0.9
223.07623	0.3
225.09192	0.4
227.07030	0.5
235.07530	0.4
237.05402	0.5
239.07066	1.5
244.52722	0.3
248.08318	0.8
249.05528	0.4
249.09163	0.4
250.06215	0.4
253.04951	4.8
253.08705	0.5
254.05659	0.7
255.06543	1.8
266.05832	1.0
267.06573	3.1
271.06104	0.7
276.07770	0.6
277.08521	0.5
279.06625	2.2
280.07468	0.5
281.04404	1.1
281.08130	0.7
281.11682	0.9
282.05194	2.1
283.06006	2.9
287.07162	0.8
291.10098	0.7
293.08066	1.2
294.08771	1.1
295.06052	9.9
295.09424	0.8
296.06354	0.4
301.08838	0.6
303.06577	1.9
304.07407	1.9
307.06076	1.2
308.06799	0.7
309.07578	0.6
309.11215	1.0
319.09650	3.7
321.07639	3.0
322.08374	3.1
335.09238	0.3
337.10712	100.0
338.11081	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1073
Annotation	Ciliatin A
Peak:m/z	Relative Intensity
51.18777	0.3
53.03950	0.6
55.01889	0.8
55.05513	5.2
57.03439	0.3
57.07084	0.5
59.04995	0.4
63.10008	0.3
65.03925	0.8
67.01870	0.8
67.05510	3.6
68.99780	1.2
69.03434	2.3
69.07071	4.3
70.06584	0.4
70.72094	0.7
70.72464	0.7
71.04990	1.5
79.05497	2.5
81.03419	0.4
81.07057	6.5
83.04980	1.6
83.08614	1.0
84.08137	1.3
85.06519	1.2
85.08510	0.4
86.09714	0.4
86.87310	0.3
91.05482	3.4
93.07045	4.7
95.04980	2.2
95.08617	5.7
96.40778	0.3
97.02905	0.3
97.06533	1.7
97.10167	5.4
99.04443	0.6
103.05471	0.3
103.18880	0.3
105.07050	4.2
107.04949	1.1
107.08596	4.5
109.02854	0.8
109.06500	1.2
109.10155	3.9
110.38648	0.3
111.04438	0.7
111.08041	0.7
111.11738	0.6
113.09686	0.3
115.05462	1.0
117.07012	0.5
119.04941	1.3
119.08575	3.1
121.02876	1.5
121.06494	1.0
121.10149	3.5
121.68310	0.3
123.04433	1.0
123.08067	1.3
123.11702	1.6
125.09657	2.3
127.03942	0.4
128.06232	0.9
129.06990	1.0
131.04897	0.8
131.08533	1.3
133.06487	0.4
133.10153	2.4
135.04500	0.6
135.08014	0.9
135.11726	2.0
137.02347	0.6
137.05956	0.7
137.09607	2.2
139.07545	0.3
139.11206	2.1
141.07025	0.8
142.07777	0.7
143.08562	1.2
143.10675	1.4
145.06506	0.9
145.10152	1.3
147.04407	0.4
147.08031	0.6
147.11671	2.0
149.02325	1.0
149.09656	0.7
149.13260	1.3
151.11197	1.0
152.06229	0.7
153.01837	28.4
153.07037	0.8
153.09096	0.5
153.12680	0.4
155.08539	1.5
157.06487	1.4
157.10152	0.9
159.04349	0.4
159.08095	0.9
159.11736	1.5
160.07578	0.4
161.13254	0.8
163.03899	1.0
163.11270	0.6
165.01817	1.6
165.06989	1.2
165.09161	0.9
165.12727	0.5
168.05727	0.6
169.06516	0.9
169.10185	0.4
170.07265	0.6
171.04495	0.3
171.08043	1.5
171.11632	0.5
172.08827	0.4
173.06024	0.8
173.13310	0.9
175.03883	0.4
175.11156	0.9
175.14755	0.9
177.01810	0.5
177.12782	0.5
179.03389	1.4
179.08589	0.4
179.10490	0.3
181.06528	0.8
181.12218	0.5
183.02962	0.4
183.08104	3.2
184.08783	0.6
185.09612	0.9
185.13269	0.6
187.14926	0.7
191.03371	0.8
193.12233	0.3
195.08090	0.3
195.13841	0.6
197.06015	0.6
199.07597	0.6
199.11293	0.5
201.05437	0.4
203.14310	0.4
206.07263	0.4
211.07507	3.3
215.03394	1.4
217.10136	0.4
219.08011	0.4
220.08682	0.5
221.05975	0.4
223.17035	0.3
227.07030	0.5
229.04974	0.8
231.08113	0.5
235.11163	0.3
239.07065	1.7
245.09581	0.8
247.07576	0.6
248.08344	0.8
249.09206	0.8
251.07082	0.6
253.04965	1.3
253.08437	0.6
255.06595	1.3
263.07037	0.4
263.10809	1.0
265.08633	0.4
265.19757	0.3
266.05652	0.7
267.06537	5.1
269.04446	1.1
271.06015	1.1
273.22095	0.8
276.07886	1.0
277.08542	0.9
279.06531	2.0
280.07278	0.7
281.08096	1.0
281.11676	1.0
283.06036	13.8
283.20538	0.7
287.07007	0.6
291.10144	0.8
291.23187	0.5
293.08078	0.8
294.08981	0.8
295.06076	10.2
295.09573	1.2
301.08701	0.6
301.21567	2.7
303.06598	1.2
304.07330	1.0
307.06033	4.1
308.06799	3.1
309.07593	2.4
309.11234	2.6
319.09683	7.0
319.22595	2.8
321.07590	3.3
322.08350	4.0
337.10712	100.0
337.23727	2.6
338.11111	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1072
Annotation	Yinyanghuo C
Peak:m/z	Relative Intensity
51.75618	0.3
54.34793	0.3
54.83212	0.3
55.01844	0.5
55.05516	1.5
67.01855	1.1
67.05502	3.0
68.99792	2.0
69.03420	1.3
69.07063	1.2
70.06616	0.3
70.88814	0.8
79.05493	0.5
81.03433	0.4
81.07056	2.7
83.04993	0.5
84.08133	0.6
85.06537	0.5
91.05476	1.5
93.07033	1.8
95.04962	1.3
95.08614	2.2
97.02874	0.4
97.06523	0.6
97.10174	0.8
101.06005	0.5
103.05470	0.4
105.07033	2.5
107.04958	0.8
107.08604	1.6
109.06522	0.4
109.10174	1.1
111.00767	0.6
111.04472	0.5
111.08080	0.6
115.05434	1.9
119.04942	0.8
119.08584	1.2
121.06500	0.6
121.10121	1.0
123.04459	0.8
123.08025	0.7
123.11708	0.9
125.09635	1.3
128.06216	0.8
129.07019	1.1
131.08536	1.1
133.06447	0.4
133.10124	1.5
135.08063	0.6
135.11716	0.7
137.09630	1.0
137.13286	0.4
139.07611	0.5
139.11191	0.4
141.06979	0.9
142.07799	1.0
143.08575	0.8
144.05739	0.5
145.06491	0.6
145.10159	0.7
147.11678	1.2
149.02350	1.0
149.13313	0.5
151.03911	0.5
152.06238	0.4
153.01830	43.0
153.06956	0.6
155.08554	1.5
157.06512	1.1
157.10129	0.8
159.08043	0.7
159.11720	0.7
161.09702	0.4
161.13257	0.4
163.03885	0.7
163.07532	0.4
165.01825	0.8
165.07021	1.2
167.08542	0.6
168.05695	0.5
169.06525	1.6
170.07272	1.1
171.08119	1.8
172.08807	1.4
173.13213	0.5
175.11244	0.5
175.14844	1.1
177.12735	0.5
179.03384	1.0
183.08063	2.8
183.10187	0.5
185.09639	1.2
187.07451	0.4
191.03395	1.2
193.06458	0.4
197.06056	0.5
197.09618	0.6
199.07587	1.0
207.08073	0.5
211.07524	4.7
221.05949	1.0
235.07648	0.5
237.05414	0.5
238.06340	0.5
239.07069	1.4
245.09810	0.4
249.09094	0.5
253.04948	2.0
255.06499	1.8
262.06125	0.4
266.05786	0.9
267.06555	2.6
271.05978	0.8
276.07816	0.9
277.08676	0.8
279.06662	1.5
280.07162	0.7
281.08078	0.5
281.11591	0.6
282.05212	1.1
283.06039	2.7
283.20691	0.5
287.07227	0.5
291.10165	0.6
291.23334	0.4
293.08038	0.9
294.08847	1.1
295.06018	12.5
295.09369	0.9
301.08466	0.7
301.21591	1.5
303.06482	2.2
304.07220	1.7
305.07983	0.8
307.06033	1.1
308.06641	0.5
309.07541	0.8
309.11258	1.6
319.09708	5.2
319.22659	0.8
321.07574	3.1
322.08307	2.8
337.10693	100.0
338.11121	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1072
Annotation	Dulciol D
Peak:m/z	Relative Intensity
55.05494	1.1
55.58903	0.3
57.03436	0.6
57.07066	0.4
65.03943	0.3
67.05511	2.4
69.07065	1.3
69.73339	1.6
72.03515	0.2
79.05504	1.4
80.11562	0.3
81.07066	3.2
83.08620	0.8
83.94199	0.3
91.05499	1.3
93.07048	1.0
95.04934	0.3
95.08627	1.7
101.49463	0.3
105.07026	1.0
107.04976	2.1
107.08575	0.4
109.10200	0.6
115.05501	0.3
119.04927	0.6
119.08598	0.4
121.02837	0.6
121.10142	0.4
123.11573	0.3
129.06963	0.3
135.04425	4.0
145.02846	0.3
145.06491	0.9
147.04436	0.5
163.03935	0.6
171.04482	0.4
173.05977	0.6
175.07507	0.9
176.04686	1.1
187.03918	0.5
189.05432	0.3
197.05992	0.5
200.04697	2.0
201.05490	1.7
202.07753	0.5
203.03404	0.5
219.06555	1.0
228.04173	0.9
231.08118	0.3
245.09567	1.4
247.07668	0.3
248.08345	1.0
249.09320	0.3
252.25096	0.3
260.03152	0.8
263.10721	1.1
274.09860	0.3
276.07813	1.0
277.08368	0.5
283.05994	1.1
291.10202	1.0
293.08023	0.6
295.06085	0.3
295.09491	0.3
301.08667	0.3
304.07321	0.6
305.08051	1.5
307.05942	0.5
319.09659	11.0
321.03812	0.6
321.07605	11.1
322.08356	4.6
336.06308	0.8
337.10703	100.0
337.27142	2.4
338.10983	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1073
Annotation	Yinyanghuo C
Peak:m/z	Relative Intensity
50.94344	0.3
55.05505	0.4
64.79958	0.3
65.03939	0.6
67.01850	0.6
67.05509	1.4
68.99792	1.4
69.03440	0.4
70.93356	0.3
71.49022	0.6
81.07050	0.4
83.26267	0.3
91.02755	0.3
91.05505	0.7
93.07027	0.4
95.08604	0.3
105.07059	1.2
107.08563	0.3
109.10168	0.3
109.70332	0.3
111.00785	0.4
115.05453	1.4
119.04951	1.0
119.08556	0.3
121.02941	0.3
123.04433	0.5
128.06227	0.8
129.07025	0.7
131.04979	0.4
131.08577	0.5
140.35062	0.3
141.07005	1.1
142.07750	0.8
142.56859	0.3
143.08578	0.8
145.06522	0.8
149.02354	1.0
151.03929	0.6
152.06221	0.4
153.01843	39.8
153.06976	0.7
155.08553	1.1
157.06485	1.0
159.08104	0.8
163.03873	0.6
165.01831	0.4
165.06990	1.0
168.05792	0.3
169.06503	1.4
170.07281	1.0
171.08075	1.5
172.08844	1.4
179.03459	0.7
181.06523	0.4
183.08087	1.9
184.08826	0.4
185.05891	0.4
185.09631	0.7
187.07642	0.4
191.03374	0.9
197.06013	0.6
197.09662	0.6
199.07547	0.4
207.08147	0.3
211.07558	5.8
221.06071	0.4
225.09073	0.7
231.08101	0.3
235.07547	0.4
238.06252	0.4
239.07030	1.1
253.04886	1.2
253.08664	0.5
254.05431	0.3
255.06487	1.7
266.05823	0.8
267.06439	2.4
271.06003	0.9
276.07834	0.4
279.06519	1.3
281.11600	0.4
282.05289	0.6
283.05972	2.7
287.07129	0.7
291.10132	0.8
293.08203	0.8
294.08792	0.6
295.06046	11.1
295.09256	0.6
296.06433	0.3
301.08350	0.5
303.06464	1.5
304.07288	1.5
305.07944	0.7
307.05988	1.1
309.07620	0.7
309.11157	1.2
319.09711	4.5
319.15683	0.4
321.07672	3.5
322.08359	3.2
337.10712	100.0
338.11099	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1075
Annotation	Ciliatin A
Peak:m/z	Relative Intensity
55.01882	0.4
55.05510	0.5
64.09487	0.2
65.03950	0.4
67.05506	2.5
68.99792	0.4
69.03420	0.2
69.07074	0.6
70.78875	0.6
77.10052	0.2
79.01863	0.2
79.05492	1.3
81.07053	2.3
84.08149	0.6
91.05492	2.2
92.99777	0.8
93.07053	2.3
95.04971	0.4
95.08608	1.0
103.05474	0.4
105.03391	0.4
105.07059	1.2
107.04946	0.9
107.08604	3.0
109.06526	0.3
109.10163	2.4
115.05450	0.4
117.07001	0.6
119.04951	1.2
119.08605	0.5
121.02879	2.8
121.06568	0.5
121.10153	0.7
123.11698	0.5
128.06218	0.6
129.06990	0.8
131.04927	1.2
131.08537	0.4
133.02817	0.6
133.10144	0.5
135.04445	0.8
135.11716	1.3
137.02396	0.3
141.01805	0.6
141.05984	0.3
141.06961	0.5
142.27502	0.2
142.88956	0.3
145.02855	0.8
145.06488	0.9
147.04416	0.6
149.02339	0.8
153.01805	0.9
157.06508	0.4
159.04466	0.9
159.08081	0.3
159.11700	0.4
161.02261	0.4
163.03900	1.3
165.01842	2.9
165.07021	0.7
167.03404	0.5
169.06499	0.6
171.04417	0.8
173.02368	0.5
173.06042	0.6
175.11206	0.3
176.01027	0.2
176.04791	0.4
177.01831	1.4
179.08598	0.4
181.06520	0.6
181.10065	0.2
183.02881	0.9
183.08028	0.8
185.06012	0.4
187.03903	1.7
187.11183	1.0
189.01764	0.3
190.02654	0.9
191.03404	0.7
193.06366	0.3
193.10150	0.3
195.08101	0.3
197.05974	0.8
199.07610	0.5
200.04800	0.4
201.05484	1.0
202.07790	0.5
203.03372	1.8
204.04219	0.5
211.07549	0.9
215.03415	9.2
215.06877	0.5
217.10213	0.4
219.08167	0.5
220.08855	0.7
221.05956	0.6
221.09576	0.4
225.05493	0.3
225.09111	0.5
226.06055	0.3
227.07133	0.3
229.04938	1.6
231.08051	0.7
235.07602	0.5
235.11089	0.3
237.05762	0.2
237.09160	0.5
239.03427	0.4
239.07019	2.3
241.04996	0.6
241.08701	0.3
243.06564	0.5
245.09804	1.3
247.07588	0.5
248.08337	0.8
249.05452	0.3
251.07118	0.4
252.07823	0.4
253.05026	0.5
253.08705	0.7
254.05656	0.3
255.06444	1.5
257.04489	0.3
257.08212	0.4
261.09473	0.2
262.10092	0.3
263.07266	0.4
263.10739	1.0
267.06540	7.3
269.08383	0.3
270.05457	0.2
271.06015	1.2
276.07822	1.1
277.04971	0.4
277.08551	0.3
277.12250	0.4
279.06555	1.9
280.07108	0.3
281.08102	2.0
281.11240	0.4
283.06036	27.9
284.06580	0.3
291.07001	0.3
291.10199	1.3
291.13803	0.6
293.08154	0.9
293.15366	0.3
294.05331	0.5
294.08838	0.3
295.06064	8.7
295.09619	2.5
297.07538	1.1
304.07330	0.5
307.06027	5.9
307.09546	0.3
308.06793	5.4
308.10342	0.3
309.07614	3.0
309.11273	0.8
309.14874	0.3
319.09683	7.4
319.13077	0.3
321.07623	3.9
322.08353	7.5
337.10727	100.0
337.14243	5.7
338.11029	1.2
338.14719	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1071
Annotation	Yinyanghuo C
Peak:m/z	Relative Intensity
55.05508	1.4
56.40369	0.5
63.97393	0.5
65.03941	0.8
67.01862	1.4
67.05510	4.4
68.99789	3.2
69.03435	1.8
69.07053	2.2
71.13332	1.2
81.07042	2.0
83.04996	0.6
91.05485	1.3
93.07065	1.4
95.08585	1.9
96.47395	0.6
97.02890	0.8
97.10197	1.0
105.07038	1.5
107.04971	0.7
107.08620	1.2
109.10171	5.0
111.00780	1.5
115.05457	1.8
117.07022	0.6
119.04954	1.9
119.08656	0.5
121.10171	0.7
123.04441	2.6
128.06261	1.0
129.07010	1.3
131.04912	1.1
131.08546	1.4
139.03923	1.0
139.11151	1.2
141.06984	1.6
142.07817	0.8
143.08571	0.9
145.06447	1.3
149.02327	1.0
151.03923	0.8
153.01837	77.7
153.06966	1.6
155.08546	3.0
157.06491	2.8
158.07246	1.1
159.08080	2.5
163.03914	1.9
165.01941	0.7
165.07004	2.1
168.05740	1.4
169.06462	1.7
170.07283	1.0
171.08020	2.8
171.13771	0.9
172.08844	2.2
173.06123	0.6
179.03345	5.6
183.08072	9.8
184.08771	0.9
185.09579	1.2
187.07516	0.7
187.11226	3.9
191.03470	1.1
197.06039	0.8
197.09657	0.7
199.07635	0.6
203.03362	0.7
211.07539	7.5
215.06923	0.9
221.06023	0.7
221.09753	0.7
225.09167	0.7
253.04984	1.0
254.05968	0.8
255.06642	1.7
263.10614	0.7
266.05811	0.9
267.06674	2.7
269.08069	0.5
271.06030	1.0
279.06451	2.3
281.08209	1.1
281.11734	1.7
282.05283	1.7
283.06000	1.6
287.07065	1.2
290.05914	0.7
291.10147	1.2
293.07956	0.7
294.08807	0.8
295.06030	9.2
301.08603	2.0
303.06555	3.9
304.07239	1.6
309.07874	1.5
309.11240	6.1
319.09671	11.0
321.07413	1.2
322.08344	1.2
335.09204	1.6
337.10718	100.0
338.11133	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1072
Annotation	Yinyanghuo C
Peak:m/z	Relative Intensity
55.01858	0.6
55.05502	0.6
58.38664	0.3
65.03920	0.5
67.01859	0.8
67.05506	2.2
68.99801	2.0
69.03417	0.9
69.07067	0.4
70.06600	0.6
71.06928	0.3
71.47576	0.5
79.05484	0.6
79.74124	0.3
81.03410	0.3
81.07053	1.2
84.08138	1.1
85.06557	0.3
91.05460	0.9
93.07041	1.1
95.04959	0.4
95.08584	1.4
97.06546	0.3
97.10117	0.4
105.07050	1.4
107.04991	0.5
107.08588	0.5
109.10154	0.9
111.08073	0.5
111.99926	0.6
115.05431	1.8
116.22206	0.3
117.07047	0.3
119.04929	1.3
119.08598	0.6
121.02866	1.3
121.06439	0.5
121.10126	0.3
123.04420	0.5
123.11742	0.3
125.09599	0.4
128.06235	0.7
129.06989	1.1
131.04936	0.6
131.08607	0.6
131.32619	0.3
135.11716	0.3
139.03902	0.5
141.07033	0.9
142.07773	0.8
143.08578	0.9
144.05713	0.3
145.02861	0.5
145.06474	0.9
145.10132	0.5
149.02327	1.4
149.29077	0.3
151.03955	0.3
153.01834	35.9
153.06952	0.7
155.08533	1.3
157.06493	1.2
157.10178	0.3
159.08064	0.9
163.03926	1.0
165.01898	1.5
165.07022	1.2
167.03418	0.6
167.08521	0.5
168.05753	0.5
169.06479	1.0
170.07300	1.1
171.08002	1.4
172.08853	1.3
179.03409	0.8
183.03029	0.4
183.08080	1.9
185.09613	0.8
187.03865	0.5
187.11214	0.4
190.51227	0.3
191.03419	0.7
197.06056	0.6
197.09549	0.5
199.01413	0.3
199.07623	0.6
201.05482	0.4
202.07570	0.4
203.03392	0.5
211.07539	4.4
215.03351	2.1
215.06822	0.3
217.04848	0.4
221.06001	0.5
225.05499	0.4
225.09074	0.6
227.06941	0.4
229.04962	0.4
234.06676	0.4
237.05519	0.5
237.68765	0.4
238.06378	0.6
239.07021	1.5
248.08264	0.3
253.04883	1.4
255.06511	1.9
265.08771	0.3
266.05710	0.7
267.06580	3.1
271.05966	1.1
273.26031	0.4
274.26550	0.8
275.07071	0.4
276.07809	0.4
277.08673	0.3
279.06641	1.9
280.07330	0.8
281.08044	0.5
281.11694	0.6
282.05283	1.0
283.06052	7.1
287.07034	0.9
291.10110	0.7
293.08102	1.2
294.08820	0.6
295.06052	11.6
295.09497	1.2
296.06500	0.4
301.08652	0.5
303.06384	1.7
304.07343	1.6
305.07965	0.5
307.05984	2.5
308.06778	1.5
309.07538	1.7
309.11197	1.6
319.09662	5.6
321.07538	3.7
322.08371	3.9
336.30063	2.5
337.10706	100.0
337.30344	1.0
338.11014	2.0
340.07214	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.107
Annotation	Yinyanghuo C
Peak:m/z	Relative Intensity
52.94814	0.2
55.01867	0.6
55.05502	0.8
57.07069	0.3
65.03939	0.6
67.01855	1.0
67.05511	2.0
68.99791	1.7
69.03419	1.1
69.07068	0.8
71.27884	0.5
79.01868	0.4
79.05515	0.6
81.07066	1.5
84.08151	0.7
85.06532	0.3
91.05489	0.9
93.07050	1.5
95.04991	0.5
95.08607	0.9
95.86063	0.2
97.02911	0.6
97.06549	0.3
97.10175	0.6
103.05460	0.4
105.07037	1.7
107.08592	1.0
108.31106	0.2
109.06552	0.3
109.10164	0.8
111.00832	0.7
115.05458	2.0
117.07053	0.4
119.04944	1.1
119.08593	0.7
121.02900	0.4
121.10173	0.6
123.04420	0.9
125.09607	0.4
128.06241	1.0
129.07028	1.4
131.04956	0.9
131.08583	0.8
133.10156	0.5
135.04388	0.4
139.03931	0.4
139.11224	0.9
141.07010	1.0
142.07820	0.8
143.08585	0.8
144.05713	0.5
145.06516	0.7
145.10059	0.3
147.11674	0.5
149.02394	1.1
152.06230	0.4
153.01839	43.6
153.06966	0.7
155.08586	1.4
156.05789	0.4
157.06494	1.3
159.04451	0.6
159.08075	0.8
163.03943	1.1
165.01863	0.9
165.06999	1.1
166.07878	0.4
167.08539	0.5
168.05695	0.5
169.06496	1.5
170.07274	1.4
171.08064	2.4
172.08864	1.4
173.05922	0.3
179.03455	1.4
183.08069	3.1
184.08794	0.5
185.06114	0.3
185.09650	1.2
187.03922	0.5
187.07486	0.4
191.03404	1.2
193.06523	0.4
197.06039	0.9
197.09563	0.4
199.03906	0.3
199.07564	0.4
207.07886	0.3
211.07513	5.2
213.05450	0.3
215.03433	2.9
221.06012	0.4
225.05518	0.4
225.09109	0.6
235.07622	0.6
237.05556	0.3
238.06241	0.3
239.07147	1.6
245.09616	0.5
247.07600	0.5
248.08316	0.3
249.09155	0.7
251.06937	0.5
253.04907	1.5
255.06534	1.8
263.10730	0.4
266.05804	1.5
267.06546	3.1
269.04474	0.4
271.05981	0.9
276.07935	0.3
277.08633	0.5
279.06537	1.3
280.07440	0.6
281.04626	0.4
281.07938	0.6
281.11795	0.8
282.05298	1.2
283.05994	2.2
287.07199	0.6
290.05780	0.5
291.10162	0.6
293.08044	1.8
294.08762	0.7
295.06052	12.1
295.09430	0.7
301.08597	0.5
303.06461	2.0
304.07388	1.6
304.10318	0.3
305.08078	0.5
307.05969	1.1
307.09286	0.3
308.06754	0.3
309.07523	1.0
309.11206	1.8
319.09653	5.6
321.07565	2.9
322.08334	3.4
335.09244	0.4
337.10718	100.0
338.11060	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	337.0895
Annotation	Flustraminol A
Peak:m/z	Relative Intensity
51.33738	3.0
55.52105	2.9
70.75146	9.0
87.15518	4.2
107.11124	3.2
129.67819	3.2
178.12019	3.8
230.74825	3.8
237.16779	3.6
330.56140	3.1
337.09048	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72495	4.6
54.61844	5.9
56.96335	6.3
56.96566	60.2
69.03429	8.0
69.85158	25.3
70.06581	5.9
70.98133	49.8
72.08170	7.9
72.62113	5.5
72.89368	5.1
82.75491	4.8
84.08160	11.1
84.96028	15.0
85.02920	8.6
88.99146	14.1
98.21463	9.0
98.97584	95.9
101.00826	7.6
106.24004	5.3
110.97555	31.0
112.99120	17.9
116.98661	27.6
117.70763	5.4
119.01914	6.9
124.95461	10.1
128.98604	51.8
131.00188	10.8
143.01875	6.9
146.99648	35.1
152.94989	13.2
155.01965	8.3
157.03421	9.2
158.99646	9.9
165.00697	10.9
170.96001	24.3
170.99556	7.9
173.01390	6.2
173.02925	13.7
174.99129	9.7
175.04462	5.8
177.00693	5.4
184.97646	10.7
188.97099	24.1
189.00670	39.8
202.98705	12.1
205.00279	7.1
206.98123	9.5
207.01765	11.8
211.02855	5.4
212.97052	14.5
217.00134	10.8
219.01805	11.5
230.98180	26.7
233.96140	5.8
234.57031	5.8
235.01222	8.1
244.99808	26.7
263.00720	37.8
277.02289	29.2
295.07022	8.8
337.08896	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	335.2582
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03941	4.0
55.01870	1.9
55.05278	1.6
55.05516	22.6
57.03441	23.5
57.07065	4.0
65.03920	3.5
67.05509	100.0
69.07076	21.9
71.04981	2.7
71.19450	2.6
79.05495	44.8
81.07060	89.0
83.04965	2.0
83.08617	8.7
85.06551	1.5
89.60481	1.1
91.05485	23.6
93.07049	54.4
95.04945	4.4
95.08611	65.1
97.06531	4.8
97.10166	4.5
99.08134	1.3
105.07039	15.5
107.08596	26.8
109.06516	1.3
109.09480	1.9
109.10168	27.1
111.08057	1.3
117.07049	5.8
119.08579	11.6
121.10152	20.7
123.08104	1.7
123.11702	8.9
125.09631	2.1
131.08565	8.2
133.10139	8.6
135.11702	15.4
137.13252	2.2
141.36334	1.1
145.10138	5.9
147.11703	5.9
149.13289	11.0
159.11737	5.5
161.13310	6.1
163.14838	2.1
173.13243	5.3
177.84747	1.0
179.14284	1.2
187.14827	2.3
201.16336	1.9
217.16571	1.0
243.21147	3.5
250.08099	1.1
261.22223	8.4
264.52097	1.2
335.25806	91.6
336.26068	1.8
341.21265	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.258
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03940	3.6
55.05520	21.7
57.03195	1.6
57.03446	22.6
57.07065	1.6
57.39959	1.2
58.29964	1.3
58.65570	1.1
62.93140	1.6
65.03930	3.0
67.05510	84.5
67.12740	1.3
69.07072	17.5
77.03956	1.4
79.05499	46.7
81.07063	80.4
83.08605	6.4
91.05495	19.8
93.07053	47.2
94.68005	1.4
95.04942	2.6
95.08616	60.9
97.06532	1.5
97.10175	2.7
105.04501	2.3
105.07057	11.7
107.08607	24.4
107.89809	1.6
109.06496	1.8
109.10159	24.4
111.08038	1.7
116.06190	1.3
117.07044	4.0
119.08599	10.4
121.10164	19.8
123.08058	2.9
123.08915	1.6
123.11729	7.7
131.08575	8.4
133.10165	6.7
134.22818	1.4
135.11693	13.2
137.13243	1.8
145.10139	5.1
147.11685	4.6
149.13264	6.8
151.11153	1.6
159.11674	5.2
161.13246	2.8
163.14841	1.5
165.12747	1.3
173.13295	4.8
175.14769	2.5
181.49707	1.6
187.14792	2.6
243.21062	3.4
261.22144	7.2
335.25830	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	335.2582
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03941	3.7
55.01867	2.0
55.05516	16.2
57.03442	25.5
57.07089	2.9
57.07317	0.6
65.03944	2.4
67.05510	77.2
69.07070	17.2
69.32301	4.8
70.07140	0.5
71.05001	1.4
77.03944	1.0
78.07105	0.7
79.05499	39.2
81.07064	75.6
83.04990	1.5
83.08622	8.5
85.06521	1.5
91.05486	19.6
93.07050	44.0
95.04963	2.1
95.08613	64.1
97.06519	2.7
97.10159	3.5
99.08106	0.8
103.03967	0.7
103.05378	0.6
104.94351	0.6
105.04546	0.8
105.07036	15.0
107.08604	25.3
107.63263	0.7
109.06512	1.9
109.10168	23.1
110.02364	0.7
111.08093	1.4
117.07023	5.5
119.08593	12.1
121.10153	23.8
123.08052	1.2
123.11713	11.2
125.09688	0.8
129.05516	2.9
131.08578	10.3
133.10144	10.8
135.08066	1.0
135.11711	18.3
137.09583	1.4
137.13252	3.3
139.11209	0.7
145.10135	7.4
147.11702	7.2
149.09680	0.7
149.13263	10.5
151.11316	0.8
151.14818	1.3
159.11713	7.5
161.13269	6.7
163.14830	5.6
165.12746	0.8
171.11754	0.6
173.13277	7.0
175.14842	2.0
177.12703	1.0
177.16412	2.8
179.14354	1.2
185.13297	0.6
187.14830	4.4
191.14439	1.2
201.16403	1.1
217.19656	0.8
233.22610	1.1
243.21101	12.4
261.22147	13.7
279.23215	1.3
283.06107	0.6
317.24814	3.5
335.25815	100.0
336.26074	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.258
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03947	2.9
55.05272	2.4
55.05515	24.1
57.03201	2.1
57.03444	25.4
57.07075	3.0
57.34357	1.5
61.67516	1.7
61.79617	2.1
65.03934	4.0
67.05507	100.0
69.07069	21.0
71.04996	1.8
71.40744	4.0
79.05497	50.0
81.07061	98.2
83.04974	1.9
83.08616	9.4
85.06497	2.1
91.05497	21.8
93.07049	49.4
95.04968	2.6
95.08614	79.5
97.06521	4.1
97.10154	3.7
102.65543	1.8
105.04476	2.8
105.07041	15.6
107.08601	28.3
109.06532	2.2
109.10160	30.4
117.07008	3.9
119.08592	13.6
121.10168	19.4
123.08081	1.8
123.11706	11.2
131.08568	10.3
133.10124	7.9
135.11694	15.2
136.60583	1.9
137.13234	3.8
145.10112	5.7
147.11697	5.0
149.13260	8.3
159.11703	5.5
161.13290	4.8
163.14857	2.6
173.13286	3.2
175.14755	1.7
187.14897	2.2
201.16364	3.0
213.08687	1.7
226.81253	1.7
243.21085	5.2
261.22083	10.4
335.25815	99.9
336.26123	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	335.2582
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03942	4.9
55.01868	2.6
55.05272	1.5
55.05516	21.6
57.03442	25.9
57.07074	4.1
60.73051	0.9
65.03933	3.9
67.05508	99.6
68.05847	1.2
69.07069	21.9
70.61016	3.1
71.04982	2.7
77.03883	1.6
77.72054	1.1
79.05497	52.4
81.07061	93.9
83.04984	2.8
83.08622	9.7
85.06541	1.6
91.04910	1.4
91.05485	26.0
93.07050	59.2
95.04970	4.0
95.08614	76.8
97.06536	2.6
97.10174	5.0
105.04507	1.7
105.07037	17.8
107.08595	29.0
109.06516	2.4
109.10161	32.8
111.08104	2.4
117.06993	5.4
119.08592	16.0
121.10148	23.0
123.08101	1.6
123.11716	12.5
131.08582	10.4
133.10129	12.0
135.08052	1.2
135.11687	16.0
137.09612	1.2
137.13245	3.5
139.11247	1.4
145.10138	6.9
147.11703	8.2
149.13287	7.8
159.11743	6.4
161.13264	5.0
163.14825	3.5
173.13298	5.3
175.14772	2.0
187.14838	2.8
201.16245	1.2
243.21112	5.2
261.22287	8.8
317.24738	4.1
335.25812	100.0
336.26221	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88485	1.1
55.01856	1.9
55.05516	1.5
56.05037	2.1
56.35710	1.1
56.96555	4.7
57.03440	1.6
58.82261	1.1
60.04509	1.8
61.54873	1.2
61.95319	1.1
64.31055	1.2
65.03933	2.6
67.05495	4.8
69.03418	4.8
69.07089	6.0
70.06604	8.5
72.08170	7.1
79.05492	3.5
81.03420	3.8
81.07058	3.2
82.06569	1.5
83.04974	1.6
84.04504	3.9
84.08151	10.6
85.02910	3.9
86.09732	7.5
87.00864	1.5
87.08125	2.7
88.07611	2.2
91.05494	1.9
93.07055	3.0
94.06582	7.9
95.04990	2.2
96.04520	1.2
96.08124	4.8
97.02902	1.8
97.06519	2.4
98.98386	1.3
99.04436	2.8
100.99133	1.3
103.05453	1.8
107.04951	1.9
108.07438	2.4
108.08121	28.7
109.02878	3.1
109.06541	1.5
110.06026	3.5
110.07173	3.1
110.09665	1.4
113.07179	1.5
118.06490	2.4
119.04930	1.9
120.08105	15.1
122.06042	5.9
123.05497	1.3
124.07610	9.7
125.05995	2.9
127.03912	4.5
128.06267	1.3
128.98621	1.4
129.06943	1.7
129.10246	3.4
130.06570	1.4
130.08685	1.3
134.09624	1.6
135.04405	1.6
136.03996	1.7
136.07591	100.0
138.09140	12.2
142.08617	1.8
144.08090	2.9
145.08681	1.9
146.05992	4.3
146.09636	1.5
147.04433	2.5
147.06363	2.8
148.07584	5.1
152.07080	16.1
153.05424	4.0
154.08650	13.0
155.07086	2.6
155.09013	1.5
157.07590	1.3
158.09676	4.6
159.10461	1.3
160.07500	1.5
163.03891	2.5
164.07094	33.1
166.04947	1.8
166.08682	8.0
170.08180	7.2
170.09520	2.2
171.10506	1.9
172.09749	1.9
172.11223	2.7
173.10002	2.3
173.12851	2.8
174.09146	3.6
178.81358	1.4
182.08232	2.2
182.09698	1.6
184.07562	1.6
184.11139	2.0
185.05904	1.5
186.09169	2.5
186.12756	4.6
188.07085	4.7
188.10632	2.0
189.07413	5.0
198.09137	1.7
198.12779	1.8
199.08618	1.3
200.10756	2.1
202.12302	1.6
203.06969	3.8
206.10187	1.3
212.07034	1.9
214.12263	1.9
215.08202	1.6
215.11858	1.9
218.97723	1.6
218.99667	5.4
225.10164	2.9
226.08603	5.1
226.12286	2.0
227.08293	1.5
227.11639	1.5
228.06833	1.3
229.09668	3.1
231.04710	1.8
231.06688	2.4
234.99025	1.4
237.00705	18.1
240.08945	3.9
241.09613	3.4
243.11226	3.0
244.13446	2.6
245.09250	1.7
253.09799	1.5
255.01793	5.4
257.09229	4.2
259.14499	3.4
271.10880	6.1
271.13879	1.5
272.12717	2.3
275.10028	1.6
286.09445	3.2
287.10294	5.1
287.13443	1.8
289.11832	22.7
289.15479	12.6
290.13870	3.7
299.10245	5.3
299.13596	1.9
300.08673	2.5
300.12131	1.8
307.16519	7.3
307.19446	1.3
317.11285	21.5
317.14966	16.7
318.13403	7.8
335.00879	1.8
335.12372	14.5
335.16006	82.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.8
57.84745	0.9
65.03941	4.5
67.05496	5.0
69.03414	1.4
69.07071	100.0
70.39104	3.1
71.10177	0.9
72.08145	3.6
79.05495	2.2
80.05018	1.2
81.07059	6.0
83.04990	1.0
84.08138	3.0
91.05460	1.5
92.04989	5.1
93.07018	1.2
94.06554	3.6
95.04971	1.7
96.08161	0.9
97.06533	16.8
105.07037	1.3
119.08579	1.0
120.04456	1.1
121.05239	1.4
121.10123	2.0
122.06032	8.1
124.07613	3.9
125.06009	2.6
125.09591	1.3
130.07716	1.0
136.07547	1.3
137.05959	2.7
138.05539	5.2
140.07054	6.3
144.08125	2.2
145.08839	3.7
145.10014	1.2
146.09666	4.2
147.06783	1.0
148.03914	5.0
150.05511	76.4
157.08861	2.9
158.09731	1.0
159.10435	1.2
160.07567	0.9
161.08342	3.9
162.09128	2.6
164.03397	1.3
166.05008	32.3
168.06596	1.8
170.06056	1.1
172.07558	2.2
172.11240	4.3
173.08334	2.2
174.09119	1.2
174.12782	6.7
176.03416	8.7
178.04962	2.5
185.08427	2.0
186.07693	1.1
186.09259	1.3
188.10641	1.3
190.12279	4.2
194.04489	4.4
198.07761	1.6
200.07016	1.6
200.10715	9.0
202.12297	8.3
213.10156	1.7
216.10252	5.0
216.84712	0.9
218.08337	1.5
218.11757	30.0
226.08748	1.2
227.11902	1.2
228.10210	17.7
229.13283	1.6
234.11234	3.3
243.11334	1.6
244.09663	2.3
245.12810	1.9
246.11278	26.9
255.11264	1.2
256.09613	1.5
261.08810	1.2
269.09042	1.0
271.10696	7.0
272.09064	4.7
273.12344	3.2
274.10815	2.1
287.10263	8.3
289.11871	10.6
299.10220	8.3
317.07697	1.6
317.11340	25.0
335.08743	1.7
335.12430	19.7
348.39914	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0165
Annotation	Unknow
Peak:m/z	Relative Intensity
68.96007	12.3
70.69802	30.6
73.00599	11.6
84.08141	15.0
143.01816	14.2
163.03925	35.5
180.34016	13.6
186.65018	14.2
335.07205	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	335.0739
Annotation	(-)-Arborescidine C
Peak:m/z	Relative Intensity
54.15756	7.4
58.06693	9.0
60.46659	8.8
70.46761	21.0
101.00871	10.8
119.01932	13.9
119.69347	10.2
143.01910	29.2
155.74985	8.6
161.02969	13.0
173.06680	11.5
241.46040	9.3
245.04947	9.1
250.48213	8.7
251.81860	9.9
293.10950	17.5
335.07172	100.0
335.10782	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	335.119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90843	0.9
56.96550	2.5
57.50870	0.9
68.98289	1.3
70.28927	1.8
70.29297	2.2
70.98100	1.1
70.99837	1.3
82.99828	7.3
84.08154	1.9
84.76835	0.9
85.01379	0.9
89.00880	1.4
94.99827	2.2
97.01393	1.8
98.97577	3.4
101.00882	28.0
102.81816	0.9
103.02421	1.4
110.97522	1.1
111.02938	1.1
113.00877	13.3
113.04463	1.8
114.02856	0.9
115.02471	5.8
116.67157	1.0
119.01917	17.2
119.25684	1.0
123.05497	1.3
127.02397	3.5
129.03940	2.9
131.01901	14.2
131.05556	10.0
133.03430	3.0
135.04445	1.0
137.00845	5.4
143.01906	100.0
144.01993	1.1
145.03439	5.3
146.99652	0.9
147.05016	1.6
149.06636	6.4
155.00658	1.7
155.01906	26.1
155.05504	6.4
156.02643	1.8
157.03461	3.9
159.05019	5.0
161.02960	51.6
163.03931	5.7
167.05560	2.6
169.07121	2.4
171.05098	1.5
173.02986	12.5
173.06610	30.5
175.04430	1.4
175.08224	1.1
177.05997	1.8
184.04495	1.5
185.02951	3.4
185.06601	30.0
187.08145	6.0
191.07669	5.4
197.06554	2.7
199.08136	1.9
201.05952	1.6
203.04025	10.9
203.07672	9.5
209.06573	2.3
215.07663	14.0
221.03061	2.0
221.05042	14.8
227.07582	2.4
233.08662	2.8
237.00681	2.7
245.04988	2.0
257.08710	8.0
275.09772	36.7
293.10822	83.2
294.11053	2.2
335.11865	41.0
336.12170	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1399
Annotation	Oglufanide
Peak:m/z	Relative Intensity
51.93546	0.6
56.05034	1.1
63.08956	0.4
63.15549	0.4
65.85941	0.4
70.06599	3.1
70.87314	0.9
80.56540	0.5
84.04511	24.6
84.57063	0.4
85.02921	0.5
86.09720	1.3
90.02262	0.4
91.05437	0.5
93.31705	0.4
98.21442	0.5
102.05548	1.0
115.05467	0.8
117.07030	0.9
118.06553	18.9
120.08099	0.8
130.05040	5.7
130.06525	2.9
132.08098	7.0
142.06520	2.2
143.07306	1.7
144.08096	12.6
146.06017	61.5
147.06285	0.7
157.13344	0.9
159.09189	14.2
160.07584	1.1
168.75410	0.4
170.06017	5.2
178.04959	0.4
180.08058	0.5
188.07079	100.0
189.07451	1.4
205.09737	19.6
225.10262	8.2
226.10413	0.7
263.13892	1.1
271.10721	2.0
278.98065	0.5
317.11346	3.6
334.14087	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	334.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.5
55.05512	7.3
56.05036	3.3
57.03430	4.0
60.04510	1.3
61.02922	3.6
67.58047	1.4
68.69066	1.3
68.78281	1.4
69.03436	7.1
69.07059	1.5
69.48827	7.6
70.06594	11.8
71.04977	5.0
71.33220	1.3
72.08160	41.9
72.17006	1.3
72.93699	1.2
73.02882	1.5
74.06071	1.8
79.05482	4.3
81.03453	2.9
81.06664	1.7
81.07063	19.9
83.08609	5.8
84.04504	14.0
84.08138	4.8
85.02528	1.3
85.02916	15.2
85.06528	1.8
86.06052	1.6
86.09725	8.6
91.05479	2.8
95.05011	1.4
97.02908	6.6
98.06033	1.9
98.09719	2.7
98.98417	1.9
99.04447	2.0
99.08089	2.2
108.08109	3.3
109.06523	15.7
110.06069	2.4
110.07124	3.5
111.08053	1.7
118.06560	9.4
120.08109	2.6
124.07587	5.9
126.05529	1.6
126.09163	45.7
126.85478	1.2
127.03931	3.4
127.07565	17.3
129.10225	2.0
130.05000	3.1
130.06519	2.1
130.08675	2.3
132.08102	2.8
136.07549	4.2
137.05963	1.6
138.09148	2.8
140.10611	1.4
144.08089	6.0
145.04929	2.3
146.06020	28.4
147.04465	1.9
154.08635	59.0
155.07042	36.4
159.09146	7.6
162.05476	1.3
163.03864	1.4
164.40399	1.3
170.06007	2.6
172.09697	100.0
178.04939	2.0
188.07083	50.4
189.07399	1.4
190.05023	1.5
205.09712	11.4
209.73190	1.2
225.10202	4.0
237.00612	1.8
263.10199	2.5
289.11798	1.8
316.13901	2.9
317.11337	5.4
334.05521	2.6
334.09491	1.7
334.14236	4.6
334.17746	28.9
335.12271	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80773	0.8
57.03444	1.9
60.64142	1.3
69.07071	1.5
70.10876	3.7
70.76896	1.3
79.05474	1.6
81.07053	1.5
82.63783	0.9
89.08498	0.9
91.05473	3.4
93.07037	1.1
95.08634	2.3
98.98474	11.2
104.63025	0.9
105.07031	9.6
108.20459	1.1
117.07051	1.8
119.08599	2.4
131.08545	1.6
133.10138	8.2
135.11687	1.7
149.88644	1.1
159.11717	3.5
171.11795	1.5
173.13234	2.0
185.13318	1.1
193.04942	1.3
199.14813	1.2
224.65617	1.4
279.85632	1.4
333.20392	100.0
333.23996	5.1
334.20596	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
71.12872	2.0
87.67815	0.8
89.83241	0.8
98.98468	4.0
119.08580	1.0
126.37935	0.8
127.47763	0.8
221.11687	0.9
333.20361	100.0
334.20691	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2061
Annotation	7beta,18-dihydroxykaurenolide
Peak:m/z	Relative Intensity
55.01856	5.2
55.05502	13.2
67.05498	17.5
68.13581	4.6
69.03420	9.9
69.07063	7.8
71.05006	7.3
71.48665	6.8
79.05497	13.0
81.07053	20.1
83.04965	7.4
83.08634	10.3
85.06568	6.3
91.05482	18.6
93.07052	19.2
95.04970	20.9
95.08596	19.4
97.06535	13.0
98.98476	100.0
99.04513	4.7
100.98914	10.9
105.07047	38.2
107.04948	6.4
107.08581	33.6
107.53659	4.9
109.06493	14.9
109.10169	10.4
117.07011	7.3
119.08585	26.6
121.06516	6.5
121.08912	4.2
121.10133	16.3
123.08075	18.1
125.06042	8.0
125.09679	6.2
129.07008	6.7
131.08607	11.9
133.10152	39.1
135.08084	10.9
135.11685	7.9
137.09633	10.2
143.08563	12.2
145.10152	17.9
147.08101	10.8
147.11699	9.4
149.09599	9.6
149.13179	4.8
151.07549	11.7
153.09111	7.1
155.10710	5.1
157.10115	8.6
159.11682	12.1
161.09601	12.3
161.13281	6.3
163.11162	10.1
171.11674	8.5
176.98991	11.2
179.10634	9.7
185.13234	5.6
187.11217	7.6
188.92821	4.3
189.09181	5.8
189.12732	7.5
207.13811	11.8
217.01436	8.4
231.13754	7.2
275.16492	8.0
287.20108	5.5
297.18622	7.5
315.08673	6.3
315.19577	35.5
333.09821	9.5
333.13336	21.3
333.17062	9.2
333.20599	20.2
333.24243	13.3
334.29742	8.0
359.31717	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15202	0.6
71.28003	1.2
79.61079	0.8
81.94864	0.7
86.49943	0.7
93.06978	0.6
98.98469	3.5
107.23544	0.7
125.27117	0.7
175.23323	0.8
176.17035	0.7
195.09940	1.8
247.63499	0.8
333.20374	100.0
334.20853	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35488	0.8
55.05510	2.0
56.96568	41.3
57.03426	1.1
61.02921	1.1
67.05496	2.6
69.18921	1.2
69.19326	8.3
71.95275	8.3
72.96030	1.6
74.97613	1.6
75.94599	0.9
79.05485	2.2
81.07024	2.5
84.96024	2.7
91.05463	3.0
93.07034	3.6
95.08602	2.7
97.96809	4.3
98.21618	1.5
98.97598	2.5
98.98474	10.9
102.96964	0.8
105.00125	2.4
105.07056	4.3
107.08601	3.3
109.10199	1.1
110.97571	23.9
112.99098	0.9
115.97823	2.4
116.98505	3.8
119.01713	1.2
119.08572	1.2
121.10113	1.3
123.01187	1.4
124.99113	1.1
128.98604	24.3
131.00049	10.0
131.08536	1.9
133.10106	2.8
135.11678	1.1
137.02702	1.6
140.98450	11.4
143.00043	7.6
145.01541	1.4
146.99640	9.6
149.01097	1.2
151.00641	1.5
153.99208	3.4
154.01552	0.9
155.00023	5.7
155.03746	1.0
157.01624	2.0
159.11671	1.9
161.01170	3.9
161.13406	1.0
163.00505	1.5
166.01704	0.8
166.99991	4.6
167.03632	1.1
169.01617	3.9
169.05455	1.1
170.99521	3.1
171.03300	4.0
171.11739	0.8
173.13348	1.5
174.99033	8.0
175.02843	1.5
176.98949	0.8
177.02066	3.0
179.00061	1.0
181.01598	2.1
181.05238	0.9
182.99509	1.2
183.03168	2.6
185.01047	3.5
185.04880	3.0
186.98981	1.2
189.00587	10.0
189.04272	2.2
190.99913	2.0
191.03633	1.4
193.01567	1.2
194.99460	1.0
195.03250	2.0
197.01067	1.6
199.02632	2.5
201.00519	2.2
203.02083	5.7
203.03787	1.1
203.05769	2.2
205.01617	1.6
205.05290	2.0
206.99518	0.9
207.03200	1.7
207.06880	1.0
209.01071	2.2
213.04135	1.2
215.02022	1.7
219.06848	1.7
221.04726	1.5
223.02773	2.0
225.08057	1.1
227.09616	1.0
231.06831	1.1
233.04620	1.3
233.08444	1.0
239.05785	1.3
241.11081	1.3
245.08514	1.4
251.05687	1.1
263.05762	1.5
263.09583	5.6
265.11099	1.7
277.07315	1.8
277.11078	1.5
289.11127	1.1
303.12613	2.6
313.14810	1.3
315.16330	79.2
316.16647	1.9
331.12137	2.4
331.15839	3.6
333.13614	12.7
333.17325	100.0
333.24036	4.3
333.31644	1.7
334.17825	1.2
351.18436	13.7
356.19006	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	333.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.9
55.05519	4.3
56.05832	0.7
65.03950	4.0
67.05495	1.0
69.03420	1.3
69.07047	0.9
70.06581	1.1
70.51642	1.3
71.04990	0.5
72.08152	0.6
79.05506	6.3
80.05023	0.9
81.03395	1.4
81.05786	1.8
81.07062	2.9
82.06598	1.9
83.04964	1.4
83.08614	1.5
84.08156	3.4
84.08957	0.5
85.02893	0.6
85.06529	0.7
85.08455	0.5
86.09695	0.9
91.05504	2.4
92.05014	5.0
93.07056	1.0
94.06583	4.7
95.04963	1.7
95.08582	1.0
96.08142	13.3
97.02865	0.6
97.06535	1.5
98.09692	0.6
98.98479	6.1
100.07607	0.5
100.11256	3.0
101.11574	1.2
103.05477	0.6
105.04494	0.5
105.07011	1.6
106.06580	2.5
107.04913	0.7
107.08569	1.1
108.08128	0.7
109.02901	1.2
109.06522	1.2
109.10095	0.5
110.06038	0.9
111.04462	0.6
118.06564	0.7
119.04995	0.6
119.08630	0.7
120.04444	1.2
120.08115	0.8
121.06506	0.5
121.10163	0.5
121.80911	0.4
122.06042	1.2
124.07593	7.4
126.09167	16.5
127.03937	1.0
128.06230	0.4
129.10263	0.5
131.08611	0.6
133.06528	0.7
133.10147	0.9
134.06012	1.6
135.04468	0.6
135.08057	0.5
136.07613	2.6
137.06017	2.2
137.09543	0.4
138.05504	5.3
140.07066	1.0
142.32127	0.4
143.08577	0.5
145.06468	0.8
145.10092	0.5
146.06017	1.9
147.04482	0.7
148.03937	4.1
152.07080	100.0
153.05516	0.4
154.08597	1.8
155.04411	0.4
161.05966	0.6
161.09674	0.6
162.05524	36.9
164.07103	2.8
164.14288	0.6
166.05019	75.2
167.05511	0.4
167.07098	1.8
167.08438	0.4
176.98868	0.7
178.04993	0.4
180.06572	24.4
182.08223	2.1
182.15590	0.5
183.15736	0.4
189.10287	0.5
190.05077	2.3
208.06076	64.6
209.16513	0.5
211.15269	0.7
217.13489	0.7
227.11801	1.2
230.10565	0.6
242.11835	0.6
245.12918	3.5
248.11632	0.7
255.11459	0.5
259.14545	0.9
269.12857	1.1
271.14426	0.5
273.12430	5.4
287.13962	6.8
289.14389	3.4
297.12201	0.5
305.14935	1.1
315.13425	6.7
333.14471	20.7
333.20868	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1337
Annotation	Catechin 5,7,4'-trimethyl ether
Peak:m/z	Relative Intensity
53.03961	5.0
53.26011	1.7
55.01863	6.2
55.05502	9.5
57.03421	2.2
61.01522	2.1
67.05490	9.1
68.99779	2.0
69.03426	7.7
69.07073	6.3
69.25378	18.7
70.06600	12.0
70.06905	2.1
71.04996	4.0
72.08167	3.7
74.06082	2.0
78.04713	3.5
79.05504	11.2
81.03416	7.7
81.07048	13.2
83.04996	5.4
84.08134	4.3
85.02883	5.0
85.06544	4.1
86.09715	9.4
91.05488	16.5
93.07053	13.9
94.04185	2.5
95.04984	12.2
95.08606	9.3
97.06538	5.1
98.20804	4.4
98.98475	30.1
99.04441	4.4
103.05470	4.7
105.04570	2.1
105.07055	19.1
107.04963	4.3
107.08592	7.4
109.02897	10.3
109.06530	4.8
109.10175	3.0
111.04446	2.6
111.08073	3.2
113.06009	2.3
114.67946	2.1
115.05486	5.9
117.06999	4.6
119.04971	3.1
119.08538	10.4
120.08103	9.5
121.02865	2.2
121.06525	6.1
121.10152	5.7
122.03667	8.7
122.06053	2.0
123.04441	9.6
123.08103	4.1
124.05155	2.2
125.05972	4.1
125.09650	5.4
127.03941	5.8
127.65905	2.2
128.06253	2.7
129.06923	3.3
129.10197	3.7
130.06581	2.3
131.04912	2.9
131.08592	6.5
133.06491	4.6
133.10135	9.9
135.08076	3.0
135.11703	4.2
137.05988	100.0
137.09615	2.7
143.08542	2.6
145.06453	4.0
145.10132	6.5
147.04384	6.6
147.07965	2.0
147.11670	4.3
147.62199	2.2
149.06009	5.2
149.09653	2.4
151.03958	3.4
151.07576	5.9
153.05431	3.2
153.06973	2.3
155.08554	2.6
157.10149	3.5
159.08028	3.9
159.11655	4.3
161.05974	7.0
161.09622	5.1
164.07027	2.2
165.06953	3.9
165.09161	3.6
167.07059	96.8
169.06398	3.2
171.11690	4.0
173.09634	2.7
173.13275	4.9
175.11217	2.6
176.98978	5.7
181.06451	2.8
183.07849	3.4
185.05994	2.8
189.09119	2.4
189.12743	4.1
191.14397	2.2
193.06581	2.7
197.13292	2.3
216.30936	2.1
217.04970	2.1
225.05542	2.7
227.07141	4.1
245.11641	2.6
265.96234	2.4
272.21112	2.3
288.09967	31.8
289.14426	30.1
297.11478	3.0
303.12347	3.9
315.12927	6.1
315.19507	4.0
333.07211	3.8
333.13974	10.9
333.20605	5.4
333.24142	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39111	0.3
55.01869	0.4
55.05514	0.4
55.63854	0.4
56.05029	1.0
56.96565	0.4
59.73680	0.3
65.57346	0.3
69.07056	0.7
69.52265	2.4
70.06596	1.5
72.08160	2.0
79.05488	0.4
81.07073	1.1
82.06572	0.5
84.04510	11.7
84.08144	1.1
85.02914	0.4
86.09711	100.0
87.10030	0.4
90.05550	1.3
95.06136	0.4
97.06488	0.4
98.20831	0.4
98.98476	5.7
102.05598	2.0
108.08126	1.0
110.06036	0.6
123.05542	0.8
124.07572	0.5
128.07098	0.5
129.10191	0.8
130.05020	3.1
132.10239	0.9
136.06232	0.6
142.04987	0.4
147.04367	0.9
152.07109	2.0
152.10732	1.1
153.05534	0.4
170.08170	1.4
173.09261	1.3
176.98929	0.6
197.12935	1.1
199.18109	0.5
201.08777	1.0
203.13914	17.4
215.13922	0.5
225.12407	0.9
239.88043	0.4
243.13428	9.1
243.15829	0.6
255.01953	0.4
269.15063	0.7
273.02972	0.4
314.12305	0.7
315.15607	0.6
332.13565	1.0
332.18192	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.1
55.01864	1.3
55.92602	0.6
56.96567	1.2
57.03434	2.3
61.02930	2.7
65.03960	1.2
67.05514	2.5
67.57950	0.6
69.03438	10.8
69.07072	0.7
70.06600	1.3
71.05001	1.0
71.47897	0.7
72.08144	1.4
73.02923	3.5
79.05482	1.8
81.03425	2.9
81.07058	1.3
82.99861	0.7
84.04514	0.8
84.08157	1.7
85.00261	0.6
85.02908	16.2
86.03288	0.6
86.09702	8.6
87.04475	2.1
91.05455	0.5
93.05821	0.9
96.08167	0.8
97.02897	8.1
98.97578	1.4
98.98495	0.7
99.04450	1.5
101.00890	3.0
102.01005	1.2
104.10757	1.9
106.06551	3.4
108.08126	100.0
108.18751	0.6
109.02888	2.6
109.08479	0.6
110.03970	0.7
110.97590	0.6
113.00854	1.0
115.02426	0.7
116.98626	1.0
119.01909	2.0
120.02025	1.1
123.06832	4.4
124.07600	18.3
127.03946	4.4
127.66253	0.6
129.04001	0.9
129.10237	1.0
131.01923	1.3
133.03505	2.0
134.06013	11.1
136.07585	15.0
136.08575	1.1
143.01952	1.6
145.03482	0.8
145.04991	2.5
147.05052	0.8
152.07077	69.2
154.08632	1.4
155.01962	1.1
156.02069	0.9
157.03487	0.6
157.13397	1.4
158.03668	0.9
158.06480	0.5
159.05052	1.5
161.02936	0.6
161.04434	0.9
161.05582	10.9
161.55618	1.7
163.03920	0.7
170.06165	3.0
170.08118	6.9
170.09378	1.0
171.04991	0.7
171.06242	0.7
177.06104	1.1
185.03026	0.8
185.12856	1.0
188.01045	0.7
189.00743	0.7
203.03966	1.2
212.07709	2.1
219.07117	4.0
221.05125	1.2
229.15240	0.6
230.08688	0.6
231.03589	0.7
231.07123	1.4
242.08188	2.2
243.03302	0.7
245.05185	0.7
251.08669	1.8
252.53325	0.6
260.09656	0.6
263.06400	0.6
272.03305	0.9
291.03903	0.9
300.02649	1.1
309.04794	0.7
314.12354	44.0
321.10330	8.0
322.10498	1.3
330.76578	0.7
332.13434	50.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1344
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
51.90444	0.5
53.03947	1.2
55.01873	0.7
56.80793	0.5
56.96568	3.0
57.03436	1.1
61.02926	1.9
62.27332	0.5
63.38904	0.4
63.46699	0.4
65.03912	1.1
67.05517	2.8
69.03435	7.0
70.39666	2.1
71.04980	0.7
72.68989	0.5
73.02922	1.6
79.05494	1.6
81.03412	1.7
81.04542	0.8
81.07050	1.1
82.44387	0.5
84.08141	0.9
85.02908	7.7
86.09734	0.9
86.65840	0.5
87.04481	1.3
93.05817	0.8
96.08105	0.9
96.39986	0.5
97.02905	3.6
98.97593	2.2
98.98499	0.5
99.04512	0.7
106.06570	4.6
108.08122	100.0
109.02879	0.9
109.08407	0.6
110.97557	0.8
123.06812	4.0
124.07593	16.8
127.03924	1.9
134.06032	10.7
136.07584	14.3
137.16139	0.5
143.01884	0.8
145.04993	0.7
152.07071	69.3
153.07443	0.6
154.08630	2.0
161.03053	0.6
161.04657	1.6
170.05188	1.8
170.08121	6.5
170.09329	0.8
171.99100	0.7
218.98383	0.7
219.01863	1.0
236.95830	0.9
242.07370	1.4
251.07947	1.5
254.10149	0.5
255.01794	1.4
273.02927	0.5
314.12344	38.2
315.12476	0.6
332.13422	49.4
333.13895	0.9
350.04095	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.8
55.05508	0.7
56.05037	1.2
56.96566	1.6
57.03432	1.4
61.02929	2.2
65.17900	0.5
67.58475	0.5
69.03427	4.4
69.07080	5.4
69.25368	5.1
70.06605	2.5
71.04979	0.6
72.08160	7.4
73.02942	0.9
73.08490	1.0
79.05481	1.2
81.03419	2.1
81.07057	1.5
82.20621	0.6
84.04050	0.3
84.04508	11.3
84.08157	3.4
85.02911	19.4
85.15987	0.7
86.09712	100.0
91.03973	1.0
91.05476	0.7
94.42007	0.6
95.04969	1.3
97.02904	5.1
97.06532	0.5
98.20747	0.7
98.98471	14.1
99.04501	1.0
100.98895	0.6
102.05560	2.9
107.04961	7.1
108.08113	4.3
109.02897	1.3
112.64419	0.6
120.06644	0.6
123.04542	0.7
123.05554	2.6
124.07607	2.7
127.03912	4.6
128.98628	0.9
129.10269	1.7
130.05022	2.0
130.06517	0.8
132.10252	1.9
135.04453	2.8
136.06207	2.5
136.07526	0.9
137.00632	0.6
137.05975	0.7
145.04965	6.4
146.99677	0.7
152.07095	4.4
152.10730	0.7
153.05499	3.7
157.13367	0.9
163.06062	1.6
166.08665	0.7
170.08154	3.1
173.09294	1.7
176.07014	0.5
176.98991	1.1
180.08711	1.8
182.48410	0.6
185.16505	2.3
193.01767	0.8
197.12926	1.0
199.18127	3.4
201.08788	2.1
203.13928	11.6
213.15993	1.5
215.14044	0.7
219.06444	0.6
225.12332	0.7
227.17619	1.0
237.00687	0.9
242.93922	0.5
243.13445	8.0
255.01765	3.2
273.02841	3.1
314.12445	1.5
317.14929	0.6
327.03952	0.6
332.09937	0.9
332.13550	3.8
332.18207	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14448	2.2
52.66188	2.3
55.05507	13.8
57.03442	6.8
57.07082	100.0
64.38908	2.2
67.05512	23.8
69.07070	12.4
69.27905	20.6
70.06593	4.9
71.06923	2.0
71.08636	58.0
79.05521	2.0
81.07062	34.1
83.08627	26.2
85.10191	28.2
88.07639	7.7
89.06046	2.1
95.08617	46.4
97.10176	10.9
98.98479	43.4
102.33155	2.4
106.08690	3.0
109.10178	18.2
123.11691	7.2
137.13239	4.7
142.12506	2.1
145.68291	2.2
162.55278	2.0
173.63681	2.1
176.98891	2.2
196.35640	2.7
221.22601	2.7
239.23718	17.8
257.24762	6.5
267.45605	2.6
313.27426	47.3
313.33014	3.2
331.33972	69.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2845
Annotation	Monopalmitin
Peak:m/z	Relative Intensity
51.87348	1.6
55.05516	16.8
57.03439	8.9
57.07081	100.0
62.51784	1.7
67.05511	27.0
69.07075	16.8
70.06579	3.7
70.84486	1.6
71.08638	72.0
75.04507	2.3
81.07061	36.0
83.08628	24.5
85.10187	41.9
85.76035	1.7
88.07636	4.4
95.08618	60.3
97.10179	15.1
97.74555	1.9
98.98474	33.8
99.11755	3.4
109.10159	29.0
111.11716	4.0
123.11696	12.8
137.13286	5.1
151.14847	2.8
174.99193	2.1
239.23676	18.0
257.24744	7.5
313.27393	57.9
331.33994	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	331.2844
Annotation	Monopalmitin
Peak:m/z	Relative Intensity
54.55214	2.1
55.05512	12.3
57.03436	7.4
57.07080	100.0
63.68434	2.1
66.08354	1.9
67.05508	30.7
69.07069	18.9
71.00729	2.1
71.08637	71.7
71.22567	2.7
71.22915	2.9
75.04476	6.1
79.05489	2.7
79.99270	1.8
81.07063	37.3
82.54841	2.1
83.08619	24.4
84.71416	2.2
85.06516	2.3
85.10190	38.0
87.04480	2.1
89.06056	3.4
90.42843	2.6
95.08616	50.5
97.10162	10.3
98.98478	80.8
99.11715	4.5
100.98843	2.7
109.10168	24.5
109.55810	2.4
111.11735	3.2
116.99458	2.4
123.11714	10.3
125.13280	3.2
137.13255	6.0
151.14868	2.2
155.31807	2.2
174.99258	4.3
176.98897	5.3
187.47873	2.2
212.90224	2.3
221.22737	2.5
239.23720	20.6
239.69060	2.5
257.24796	9.7
287.48001	2.4
313.27399	65.7
313.78247	2.2
331.34048	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.3
55.01869	2.3
55.05499	2.4
65.03928	2.7
69.03419	2.5
69.07057	3.0
69.10590	1.1
70.06600	8.3
70.96796	2.9
72.08147	5.6
73.08494	2.4
75.32933	1.2
79.05487	3.5
81.03400	1.2
81.07044	3.6
81.17475	1.3
83.04955	1.5
83.08633	1.7
84.04484	2.3
84.08129	5.6
85.02921	1.5
86.09694	6.0
87.13552	1.1
91.05487	35.9
93.07023	2.3
94.04173	3.7
95.04984	5.8
97.06535	1.3
98.98473	80.0
100.98920	1.3
103.05487	5.4
105.07031	4.0
107.04938	7.9
109.06509	5.6
111.04432	1.8
115.05467	3.1
117.07012	1.4
119.04942	20.6
120.08121	4.2
121.06533	7.2
122.03682	8.1
124.07623	5.8
128.06236	4.4
129.07021	13.8
129.10239	2.1
131.04941	5.1
131.08601	1.8
133.06447	2.3
135.04384	2.4
135.08060	5.6
136.05214	3.1
137.05988	80.4
143.04893	2.1
145.06496	3.5
146.03564	1.5
146.07210	1.5
147.04393	2.5
149.05983	12.3
150.06720	1.3
151.03925	4.0
151.07552	100.0
152.06232	4.0
153.06990	2.9
154.07782	1.9
157.06483	11.2
161.06015	13.4
161.09618	3.8
162.05489	8.3
163.03947	2.5
163.07564	27.1
165.07005	14.5
165.09135	4.8
166.07806	3.3
167.08571	17.3
169.06474	2.4
174.06758	7.6
174.99380	1.3
175.07588	4.3
176.98930	5.3
177.06967	1.8
177.09135	3.0
178.07747	7.0
179.08522	2.5
181.06488	5.5
181.10083	1.3
182.07242	4.5
183.08170	2.3
189.07397	2.3
189.09109	35.7
191.08681	1.4
192.09390	1.7
193.06496	7.2
193.08502	1.1
193.10106	7.6
194.07237	3.5
195.08054	26.8
196.08740	2.2
197.05978	4.7
198.11342	1.6
199.07558	1.5
199.11443	3.6
202.07845	2.0
203.08577	2.2
206.07249	3.1
207.08121	1.9
207.10199	4.1
209.05980	3.7
209.09613	4.6
210.06787	9.8
211.07545	4.9
212.08260	6.5
216.12338	1.5
217.12633	1.7
219.08083	2.1
220.08858	1.9
221.06030	12.0
221.09601	13.0
223.07529	13.4
224.08298	5.9
225.05396	2.2
225.09132	11.2
227.07097	2.9
227.10657	30.3
227.12932	1.5
234.06754	2.0
237.09081	3.3
238.06226	4.8
238.09964	1.7
239.07014	3.2
239.10823	1.4
240.07941	3.0
249.09271	7.2
252.07899	1.6
253.08559	15.6
253.12250	16.3
255.06281	1.4
255.10204	32.2
257.08084	1.5
267.10214	6.2
269.08008	4.9
269.11807	2.6
270.08804	1.9
271.13263	1.5
272.10449	3.2
281.11777	4.9
284.10623	1.6
285.11206	21.2
287.12805	46.9
298.12088	2.1
301.14380	3.2
313.11243	2.6
313.14600	8.9
331.05887	2.6
331.12460	3.4
331.15741	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	331.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	1.7
55.01870	2.9
69.33785	9.1
69.34211	6.7
79.05473	3.9
80.51745	1.8
81.07042	4.3
83.04935	2.0
91.04910	2.2
91.05484	40.8
93.07047	2.3
94.04200	2.2
95.04958	7.0
98.98471	69.7
103.05431	4.7
105.07021	7.0
107.04936	6.2
109.06525	5.0
117.07057	2.3
119.04945	20.8
121.06477	7.1
122.03629	7.2
123.04379	2.3
128.06227	4.5
129.07007	18.7
131.04918	5.7
131.08583	2.5
133.06488	3.3
134.03615	1.9
135.08041	6.7
136.05228	3.0
137.05986	91.8
145.06441	5.5
147.04424	2.1
149.06006	12.6
151.03990	2.7
151.07547	100.0
152.06186	4.2
153.06973	1.7
157.06499	14.2
161.06023	16.5
161.09648	3.5
163.07545	25.2
165.07005	16.8
165.09114	4.6
166.07773	2.7
167.08574	19.1
169.06468	3.2
173.60667	1.9
174.06760	7.4
174.99220	2.6
175.07561	5.8
176.98955	5.2
177.09174	3.2
178.07762	6.5
179.08490	3.1
181.06442	6.3
182.07239	4.2
189.09128	37.5
191.08600	2.5
193.06459	8.7
193.10103	7.4
194.07207	3.5
195.08061	30.8
197.05998	6.9
199.07574	2.4
203.08556	3.5
206.07222	3.3
207.08060	2.2
207.10126	5.1
209.05795	2.7
209.09665	7.0
210.06741	11.4
211.07520	6.3
212.08307	6.3
221.06026	12.3
221.09634	12.6
223.07558	15.8
224.08310	5.7
225.05563	3.6
225.09138	12.6
227.07069	3.3
227.10683	32.4
237.05508	2.2
237.09096	6.3
238.06221	7.7
239.06961	2.2
240.07779	3.5
249.09079	6.6
252.07913	2.5
253.08524	17.2
253.12239	16.8
255.06380	3.1
255.10225	28.4
267.10077	8.2
269.08041	6.1
272.10413	3.2
281.11740	7.7
284.10486	2.4
285.11203	24.0
287.12823	43.5
310.00574	1.9
313.14301	15.1
322.99454	2.0
331.11746	9.5
331.15378	3.8
343.78897	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1541
Annotation	Macquarimicin A
Peak:m/z	Relative Intensity
53.03951	1.3
55.01873	2.5
55.05506	2.7
59.64009	0.8
62.31320	0.9
64.42962	0.8
65.03948	3.2
67.05495	3.0
69.03421	2.1
69.07067	1.5
70.06579	1.3
77.03981	1.0
79.05497	4.6
81.03419	1.1
81.07061	5.4
83.04979	1.5
84.04507	1.3
84.08121	1.2
85.02915	1.2
85.06549	1.6
86.09724	2.2
91.05484	37.5
93.07047	3.5
94.04198	4.1
95.04980	7.3
95.08611	2.4
97.06514	2.6
98.98467	88.5
100.11262	1.8
100.98875	1.9
101.64383	0.9
103.05476	5.6
105.07050	6.9
107.04939	8.7
107.08570	1.1
109.02899	2.4
109.06523	6.2
109.10147	1.7
111.04447	2.5
115.05441	3.4
117.07010	3.0
119.04945	18.7
119.08581	1.2
120.08160	1.3
121.06512	7.9
121.10167	1.0
122.03649	10.0
123.08092	1.2
124.05230	1.0
126.09325	1.0
127.03907	2.6
128.06206	5.1
129.07008	18.1
131.04950	7.5
131.08563	3.5
133.06474	4.7
133.10129	1.0
135.04405	1.3
135.08047	8.1
136.05240	5.1
137.05980	89.6
141.06982	2.7
143.05016	1.5
143.08562	2.6
145.06506	3.6
145.10123	1.8
146.03648	2.8
146.07233	1.6
147.04419	3.4
147.08041	1.7
147.11687	1.3
148.05206	1.7
149.02347	0.9
149.05989	13.6
150.06775	1.5
151.03993	4.8
151.07545	100.0
152.06227	5.2
153.07018	4.4
155.06044	1.4
155.08557	1.6
157.06500	13.7
157.10083	1.7
158.07285	1.7
159.08090	1.9
160.05208	1.2
161.02449	1.0
161.05983	15.9
161.09576	4.8
162.06778	1.0
163.07549	23.6
165.06999	17.5
165.09071	5.4
166.07782	4.5
167.07120	2.8
167.08522	19.4
168.05783	1.9
169.06511	3.3
171.11659	1.3
174.06761	7.7
174.99229	3.1
175.07544	4.5
176.98940	5.6
177.05569	2.2
177.07062	3.0
177.09132	3.0
178.07761	8.7
179.03409	1.7
179.08540	2.1
181.06465	8.0
181.10065	2.5
182.07300	6.8
183.08017	3.3
185.05981	1.6
187.07539	2.1
189.09106	36.6
191.08575	2.7
192.09297	2.3
193.06499	9.6
193.10083	7.8
194.07307	2.1
195.08067	32.4
196.05177	1.7
196.08870	1.8
197.05954	7.0
197.09607	1.5
198.06812	1.1
199.07585	1.8
201.05420	1.1
202.07761	1.6
203.08635	2.3
205.06522	2.3
206.07320	2.8
207.08199	1.8
207.10158	4.2
209.05904	3.3
209.09618	5.3
210.06752	13.7
211.07553	7.6
212.08401	5.4
213.09129	1.7
219.08020	1.6
220.08846	2.5
221.05988	9.9
221.09555	12.7
222.06723	1.7
223.07556	12.0
224.08284	3.4
225.05496	3.0
225.09087	13.5
227.07323	4.8
227.10664	34.1
229.08669	1.3
234.06793	1.8
235.07587	1.7
237.05418	1.6
237.09138	3.5
238.06201	6.8
238.09970	2.4
239.07018	2.6
239.10611	1.6
240.07852	4.2
241.08618	3.1
241.12189	2.1
243.10193	1.3
249.09058	6.2
252.07893	1.4
253.08609	17.8
253.12250	16.7
254.09357	1.9
255.06535	2.4
255.10173	31.5
257.08228	1.6
261.02127	1.1
267.10193	5.3
269.08112	5.8
269.11636	3.1
270.08670	1.9
271.09717	1.7
272.10471	4.3
280.73376	1.2
281.11740	5.7
284.10464	2.5
285.11191	19.8
287.09631	2.4
287.12790	44.3
298.11960	1.1
299.09232	1.5
299.12790	1.9
301.14191	1.4
313.07025	5.5
313.14285	15.9
316.08942	1.7
331.04819	1.4
331.08276	2.6
331.11798	20.9
331.15463	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.154
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21036	1.5
55.01862	4.2
65.03933	3.0
67.05507	2.6
70.06567	2.2
70.17861	7.4
79.05514	3.9
81.07037	5.1
83.04962	2.0
88.55573	1.6
91.05485	27.7
94.04164	3.5
95.04953	5.8
98.90669	1.7
98.98470	63.1
103.05460	4.7
105.07014	5.6
106.06544	2.7
107.04967	8.5
107.08539	2.4
108.04446	4.2
109.06505	4.8
109.10143	2.0
114.65891	2.4
115.05430	2.7
117.07001	3.3
119.04939	17.9
121.06532	8.6
122.03625	10.3
122.06004	3.8
123.04447	1.7
128.06233	4.2
129.07027	15.7
130.08394	1.9
131.04909	7.4
131.08516	2.6
133.06564	2.3
134.05978	3.5
135.08026	7.3
136.05229	2.2
136.07561	2.6
137.05986	83.7
145.06523	3.8
149.06009	15.8
151.03932	2.4
151.07550	91.5
152.06145	3.2
153.06978	2.2
157.06490	15.6
161.06004	19.5
161.09586	5.3
162.05515	9.6
163.07530	19.8
164.06987	2.7
165.07008	11.3
165.09094	4.0
166.07730	2.1
167.08583	16.9
169.06412	3.6
170.08237	2.0
170.09641	3.6
173.10602	2.1
174.06761	8.7
175.07475	3.6
176.98972	4.1
177.09087	3.3
178.07796	7.2
179.08578	2.6
181.06441	4.9
182.07234	4.1
183.09337	2.2
187.08704	2.0
189.06569	7.0
189.09125	35.3
192.09373	4.0
193.06456	8.7
193.10190	10.9
195.08075	24.0
197.06004	4.7
198.09061	2.7
201.10202	8.0
203.08333	5.9
207.10162	6.5
209.09648	3.6
210.06671	9.1
211.07455	5.0
212.08455	4.1
215.08244	11.6
215.11798	5.7
221.05966	8.9
221.09557	12.8
222.06323	1.9
223.07498	12.5
224.08350	2.9
225.05426	2.0
225.09029	15.5
227.07106	2.3
227.10658	29.7
229.09766	15.0
229.13316	2.5
237.09064	2.7
238.06230	4.4
239.07109	2.4
239.11752	3.2
240.07834	4.1
243.11256	5.4
249.09033	5.7
253.08507	15.5
253.12234	15.8
255.10117	28.9
257.09119	7.6
257.12863	7.8
267.10626	7.3
269.08118	5.6
269.11710	2.5
271.07159	2.8
271.10657	7.2
272.10413	3.9
275.13919	3.1
281.11771	6.6
284.10504	2.8
285.08466	3.0
285.11569	19.0
287.12814	40.2
295.10632	5.2
295.15515	2.4
303.13388	6.0
313.08011	7.3
313.11752	18.2
313.14413	7.6
331.09354	4.4
331.12762	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	331.154
Annotation	Macquarimicin A
Peak:m/z	Relative Intensity
53.03948	1.7
55.01860	2.7
57.07077	1.6
60.53747	1.5
65.03931	1.6
67.05512	1.6
69.03421	5.0
69.34007	12.8
70.80302	1.5
74.68173	1.4
75.38538	1.5
77.03964	1.7
79.05484	4.6
81.03425	10.0
81.07052	4.5
81.57625	1.3
85.02898	5.4
91.05489	34.5
91.83887	1.6
94.04192	5.0
95.04974	8.7
97.02905	8.2
98.21577	3.1
98.98464	26.5
103.05470	5.3
105.07055	7.3
107.04946	6.1
109.02892	3.1
109.06506	6.1
115.05440	3.0
117.07022	3.0
119.04957	18.3
120.08143	2.1
121.06525	8.8
122.03658	10.6
123.04414	1.9
123.11729	2.5
127.03931	2.7
128.06223	6.0
129.07011	15.8
131.04947	6.5
133.06566	1.5
135.08037	6.4
136.05229	4.2
137.05981	84.4
145.06479	4.0
146.03656	2.0
148.05148	1.6
149.06033	12.5
151.03954	3.5
151.07550	100.0
151.11151	3.7
152.06223	5.6
153.07013	1.9
157.06499	13.0
161.05995	16.3
161.09648	4.5
163.07542	24.4
164.08057	1.7
165.07013	14.8
165.09137	4.9
166.07816	3.1
167.08582	19.8
169.06516	3.7
169.12199	5.1
174.06779	7.4
175.07535	4.6
177.07005	3.7
177.09111	4.3
178.07791	7.3
179.08556	2.2
181.06464	4.8
181.10152	1.6
182.07251	4.1
189.09117	37.2
189.10779	2.7
191.08571	1.6
192.09384	2.4
193.06532	6.6
193.10135	7.4
194.07310	2.9
194.44713	1.5
195.08051	28.5
197.06021	5.6
197.09613	2.5
203.08560	4.4
206.07268	2.1
207.10162	4.6
209.06010	5.3
209.09622	3.5
210.06738	10.1
211.07555	5.2
212.08318	3.6
219.08273	1.6
221.06065	9.7
221.09641	10.9
223.07506	11.8
224.08369	4.7
225.05489	3.0
225.09087	11.7
227.07159	2.4
227.10655	28.4
237.05490	1.7
237.09181	3.7
238.06230	6.3
238.09932	1.9
239.07043	1.8
239.10927	1.6
240.07777	4.2
241.08609	2.8
241.12164	2.0
242.47528	2.0
249.09135	7.3
252.07709	2.3
253.08640	12.6
253.12228	18.9
255.06480	2.6
255.07315	2.7
255.10182	31.2
267.10132	4.8
269.08148	5.4
269.11624	3.7
272.10486	4.8
281.11740	7.1
285.11237	17.9
287.12778	49.8
298.12143	2.8
301.14310	2.1
310.91766	1.5
313.14508	11.2
323.91422	1.7
331.12466	5.2
331.15833	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1542
Annotation	Macquarimicin A
Peak:m/z	Relative Intensity
53.03948	1.2
55.05527	4.9
57.03432	1.3
65.03927	2.3
66.11566	0.9
67.05504	3.2
69.03424	3.4
69.07053	1.5
69.39807	5.8
69.40213	2.5
70.06594	2.5
71.04991	2.4
73.02925	1.5
79.05507	4.6
81.03430	1.7
81.07052	4.1
83.04988	7.8
84.08141	2.1
85.02903	3.3
85.06568	1.5
86.09717	3.8
91.05490	19.6
93.07058	3.6
94.04182	2.3
94.06536	1.3
95.04980	5.5
95.08604	3.8
97.06537	2.3
98.98473	100.0
99.04462	4.4
100.11274	6.1
100.98883	1.9
101.06039	1.0
103.05488	3.1
103.41978	1.0
105.07039	4.3
107.04959	6.3
107.08607	1.3
109.02907	1.2
109.06526	3.0
109.10167	1.7
111.04427	2.2
115.05478	3.7
116.99449	1.3
117.03431	1.0
117.07056	1.5
119.04948	11.3
119.08575	1.2
120.08093	2.2
121.02888	1.5
121.06499	5.1
121.10168	1.9
122.03634	6.2
125.05982	1.0
125.09644	1.5
128.06232	4.1
129.06999	11.8
131.04968	4.4
131.08574	2.5
133.06445	1.3
133.10120	1.8
135.08064	4.0
135.11746	1.1
136.05231	2.3
137.05989	60.0
139.66992	1.2
141.06973	1.3
143.04922	1.2
143.08577	1.1
145.06503	3.1
147.04425	1.3
147.08116	1.2
149.06013	8.9
149.09613	1.2
149.13184	1.2
151.03928	2.4
151.07553	55.5
152.06209	2.5
153.07047	2.0
155.06133	1.2
155.08589	2.2
157.06517	8.6
159.04431	1.6
161.05998	11.6
161.09604	4.7
163.07542	14.6
165.06982	8.1
165.09138	4.5
166.07748	1.8
167.04845	1.1
167.07178	1.2
167.08574	11.8
169.06473	1.9
171.04381	1.1
174.06789	4.6
174.99226	3.8
175.07541	3.7
176.98988	8.3
177.05646	1.1
177.07043	1.2
177.09138	2.5
178.07829	5.0
179.03490	1.6
179.08548	2.5
181.06514	5.8
182.07304	3.5
182.15425	2.2
183.05603	1.2
183.08061	2.9
189.09111	19.4
190.05078	1.6
191.08606	1.3
192.09413	1.5
193.06514	4.7
193.10069	5.7
194.07333	1.5
195.03928	1.0
195.08089	13.6
196.08737	1.1
197.05933	4.9
197.09647	1.3
198.06697	1.5
199.07512	1.1
202.07863	1.8
203.08589	1.6
206.07332	1.1
207.08273	1.7
207.10217	4.2
207.73366	1.1
209.05942	2.7
209.09691	1.5
209.16492	2.1
210.06758	8.3
210.14934	2.2
211.07481	4.7
211.11214	2.0
212.08307	2.9
213.96674	1.3
215.03368	1.2
221.05911	5.7
221.09477	6.9
222.06914	1.9
223.07520	6.8
224.08328	3.8
225.05615	2.0
225.09021	8.0
226.19261	1.9
227.07080	2.4
227.10655	16.3
229.09496	1.2
233.62540	1.2
234.06599	1.2
237.09262	2.3
238.06258	4.7
239.06960	1.6
240.07860	2.1
241.08437	1.3
249.09087	4.4
252.07906	1.8
252.99785	1.2
253.08595	9.7
253.12273	9.3
255.07339	1.9
255.10173	17.5
256.07495	1.4
256.10867	1.4
257.04471	11.3
266.09213	1.2
267.07690	1.3
267.10342	3.9
269.08081	2.5
269.11685	1.4
270.08862	1.2
271.07092	1.5
271.09836	2.0
272.10333	2.3
281.11743	2.7
285.08389	2.7
285.11319	12.6
287.09720	1.7
287.12808	27.0
295.07037	1.4
299.09500	1.9
299.12930	1.4
313.08505	5.8
313.14609	5.7
313.17575	1.2
331.08679	6.3
331.12012	12.0
331.15567	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	331.1291
Annotation	Miraxanthin-III
Peak:m/z	Relative Intensity
50.96896	0.6
55.01871	3.2
55.05495	1.2
55.13725	0.6
69.07045	0.8
70.61279	0.7
70.61642	2.1
70.90250	0.6
79.05495	1.0
80.04995	0.7
80.12383	0.6
82.06544	0.7
87.93150	0.6
91.05469	1.7
93.06999	0.7
94.06573	2.5
95.08585	0.6
98.98478	6.4
101.86485	0.6
105.06981	1.2
106.06563	2.2
107.08591	1.1
108.04530	3.8
108.08906	0.7
110.06052	1.5
119.04982	0.8
120.08069	0.9
121.06502	0.9
122.06013	3.5
127.10806	0.8
129.06982	1.5
134.06009	2.1
136.03964	1.7
136.07523	1.1
137.05984	5.7
144.08003	0.9
148.07596	1.6
150.05482	1.8
151.07590	4.5
152.07133	0.9
158.09698	0.7
159.09195	1.6
161.07115	1.9
162.05495	7.8
163.06291	1.7
163.07504	0.8
164.07092	2.8
166.05003	0.9
167.08623	0.8
168.06641	1.6
170.08264	1.2
170.09686	0.9
173.10826	1.6
174.13644	1.1
176.07129	1.7
183.09210	1.3
184.07556	1.3
185.07164	1.0
185.10706	0.8
186.07904	1.6
187.08710	3.5
187.12360	1.2
189.06619	8.5
189.09148	1.4
192.14581	1.0
194.08020	0.8
195.08015	1.5
197.10793	1.1
198.09212	1.8
199.08636	1.7
200.09319	1.6
201.10204	6.4
203.08121	3.3
211.08678	1.4
211.12277	0.8
212.07082	1.2
213.10254	2.5
214.07262	0.9
214.10913	1.3
215.08186	15.0
215.11688	6.1
225.10237	2.1
227.08386	1.0
228.08911	0.9
229.09720	13.6
229.13416	2.1
239.11838	2.2
240.10168	1.6
241.09821	1.5
241.12390	0.8
242.12868	1.0
243.07660	2.9
243.11296	5.8
247.14561	1.2
252.08905	0.9
253.09915	0.9
254.10489	1.6
255.10886	1.2
257.09296	9.3
257.12851	6.5
259.10843	1.1
267.11288	4.6
268.09802	1.0
269.09232	1.2
271.10794	6.6
275.13824	3.5
285.12381	9.1
287.09857	0.8
287.12842	2.7
295.10855	3.8
295.15573	1.7
303.13507	4.6
313.08459	0.9
313.11835	17.8
313.16635	3.0
314.12387	0.8
331.12900	100.0
332.13120	2.1
352.37515	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46617	0.9
55.05508	2.4
57.07069	2.3
57.63199	1.0
62.09785	0.9
67.05504	3.6
69.03924	1.0
69.07062	2.6
70.06599	2.4
71.08612	2.0
71.51319	0.9
72.08167	1.5
74.06125	1.4
79.05499	2.3
81.07037	3.3
81.66378	1.0
83.08609	1.4
83.72356	1.0
84.04512	1.3
85.02882	1.2
87.04481	6.9
88.07635	2.2
91.05465	2.5
93.07026	1.9
95.08625	1.8
97.10156	1.5
98.98474	100.0
100.98882	1.5
101.06007	2.7
101.40906	1.0
102.05501	1.1
103.93324	1.0
105.07042	1.3
107.08605	1.1
109.10192	1.2
111.08082	1.1
116.99551	1.3
119.08557	1.0
120.06627	1.8
121.10179	1.1
123.07952	1.0
128.69424	1.1
130.04961	1.7
135.08040	1.2
140.01031	1.2
140.70638	0.9
152.79376	0.9
161.90796	1.0
173.11685	1.5
174.99260	4.3
175.99472	1.1
176.98877	5.3
242.98326	1.0
268.29926	1.7
270.27945	2.5
330.29984	9.5
330.33646	7.1
331.18784	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84665	0.4
52.81630	0.4
55.01876	0.8
55.05515	7.8
56.05029	0.9
57.05821	0.7
59.51181	0.4
60.04522	1.1
62.06092	1.8
63.49156	0.4
65.03963	0.4
67.05507	0.9
69.03423	0.8
69.07071	8.5
70.01916	2.0
70.02952	0.7
70.06596	8.7
72.08158	100.0
73.02922	1.3
73.06561	0.9
74.06087	0.8
79.05486	2.0
79.75504	0.4
79.97849	0.3
81.03418	0.5
81.07049	2.5
82.06591	0.6
83.04990	0.6
83.06141	0.4
84.04502	1.9
84.08142	3.4
85.02935	0.7
86.06071	11.3
86.09708	10.6
88.03996	2.3
91.05482	4.4
93.07072	1.9
94.04263	0.5
94.06562	0.4
95.05039	0.9
95.08644	1.0
96.08147	1.1
97.06549	1.1
98.06065	1.0
98.09732	0.9
98.98471	35.9
99.04469	0.6
100.07648	0.5
100.98892	0.9
101.02373	2.2
102.05533	0.4
103.05499	1.1
105.03415	0.6
105.07034	1.1
107.04977	0.8
107.08631	0.7
108.08116	1.1
109.06525	4.2
109.10175	0.5
110.07148	1.0
110.09692	0.5
111.08093	2.4
112.08764	0.7
115.07602	0.9
115.08737	0.5
116.07144	0.7
116.10743	4.9
116.99490	0.5
118.06580	0.5
119.04982	1.6
120.08131	1.6
121.06526	1.5
122.03734	0.9
122.06013	0.7
124.07612	1.1
126.05527	0.7
128.06204	0.6
128.07076	0.6
129.07008	1.2
129.10254	1.4
131.04941	1.1
132.10228	1.9
134.05951	0.5
134.09663	1.0
135.08070	0.6
136.07603	0.9
137.05991	7.7
138.09151	0.8
139.03902	0.5
140.10657	0.4
141.06966	0.4
141.09167	1.0
142.08624	0.8
143.04933	0.5
146.06017	0.5
146.80586	0.4
147.04364	0.5
148.07611	0.5
149.05983	2.7
150.09140	0.6
151.03960	0.7
151.07536	8.8
152.10735	1.2
157.06546	0.8
158.11778	0.6
161.06020	1.2
162.05528	2.6
163.03914	0.6
163.07556	2.0
164.07132	0.6
165.07005	0.8
165.09052	0.5
167.08614	1.0
168.01186	1.6
169.12247	0.6
170.11766	2.5
171.14938	35.1
174.06857	0.9
174.99223	1.9
175.99570	0.7
176.98956	1.7
177.99403	0.5
180.10240	1.4
181.06505	0.7
182.08232	0.7
183.14972	0.7
185.16454	2.3
187.04056	0.5
189.09129	2.4
193.10129	0.5
195.08124	1.9
197.06006	0.7
198.11272	21.5
199.14426	18.1
209.06139	0.5
210.06728	0.8
211.07553	0.5
212.16570	1.1
213.16048	0.6
214.10490	0.6
216.12325	26.1
221.06047	1.2
221.09631	0.8
223.07523	1.0
225.09158	0.9
227.10669	2.1
231.17018	3.8
231.58424	0.5
234.11304	0.6
252.12402	1.7
253.08595	1.2
253.12302	1.6
255.10152	2.5
269.08109	0.4
284.10501	0.5
285.11407	1.5
287.12741	3.0
312.18115	5.2
313.11725	0.7
321.69186	0.5
330.06970	1.7
330.11057	1.4
330.19540	1.0
331.08774	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.7
57.03426	1.9
58.48407	1.1
70.06208	2.1
70.06595	42.2
70.79684	2.8
72.08138	3.5
73.02930	1.4
74.06125	1.2
82.41982	1.1
84.04496	2.7
84.08144	5.6
85.02911	2.8
86.09710	11.3
86.86401	1.1
91.05453	1.8
98.06035	1.4
98.98473	100.0
99.98927	1.0
100.98898	1.8
103.03947	4.1
103.05462	1.4
105.07064	1.3
110.21690	1.4
111.04498	1.7
115.05462	4.3
116.07101	2.2
116.99509	1.4
120.06566	1.3
120.08141	1.3
121.06499	2.6
122.06072	1.2
129.10213	2.4
131.04967	2.4
133.06592	1.2
135.04431	9.7
137.02348	2.4
139.03937	6.6
143.04927	6.2
145.02914	1.2
147.04428	12.9
149.06001	1.3
150.05484	1.9
157.06557	1.2
159.09486	1.1
161.05984	16.2
163.03922	62.2
165.05421	2.6
168.06552	1.9
171.04417	3.2
173.06024	1.5
174.08090	1.8
174.99197	4.1
175.03961	6.0
175.99666	1.8
176.98969	4.7
177.05507	2.6
177.99164	1.1
179.03418	1.1
181.05019	2.2
183.14967	3.8
185.05974	3.8
187.03906	1.4
189.05472	18.3
191.03371	2.6
193.04996	27.4
197.83752	1.4
199.03928	1.4
201.05367	1.4
203.07025	1.4
205.05005	3.6
207.06601	2.3
211.14423	3.1
213.05525	8.1
215.07005	2.5
217.04959	7.1
217.09940	1.4
217.11873	18.1
230.91660	1.1
231.06570	6.1
235.06021	16.2
249.07536	2.1
259.06033	7.3
277.07181	7.4
294.09653	1.3
295.08157	54.6
310.75229	1.1
312.18900	1.4
330.12051	2.3
330.16467	1.2
330.20401	5.3
331.09824	1.9
331.74802	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26080	2.2
55.05509	11.9
67.05513	34.5
69.07061	8.8
69.73006	13.5
79.05496	25.9
81.07056	21.6
83.04980	3.5
83.08640	4.0
89.48845	2.5
91.05489	17.9
92.63387	2.6
93.00605	2.4
93.07058	24.4
95.04979	7.5
95.08615	18.0
97.10176	7.4
98.20861	5.8
98.98475	100.0
104.23560	2.6
105.07037	10.2
107.08605	16.4
109.06573	3.6
109.10154	18.3
111.08138	2.9
117.06982	3.7
119.08601	13.4
121.10153	8.4
123.08112	2.8
125.09593	6.5
131.08595	5.3
133.10149	8.8
137.09602	7.3
145.10121	3.8
147.11731	3.4
149.09602	2.5
155.10675	6.4
157.10193	2.8
159.11745	3.4
172.13345	4.4
173.11766	5.3
174.99275	9.1
275.20020	5.7
310.82657	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	328.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25881	1.1
55.01878	2.3
55.05517	26.1
66.08779	1.4
66.96597	1.1
67.05509	10.0
69.03430	3.9
69.07080	6.1
69.28305	9.0
69.28719	1.8
79.05502	15.3
81.07063	10.4
81.59654	1.4
83.04993	2.7
83.08624	17.6
91.05481	8.3
93.07046	6.1
93.47329	1.4
95.08614	3.4
97.10180	35.7
98.20811	2.6
98.98473	100.0
101.09645	1.4
105.07026	5.3
107.08604	40.9
109.10153	3.4
117.06989	1.8
119.08598	3.0
121.10152	1.6
124.11201	1.6
125.09649	31.6
126.71665	1.2
131.08568	2.1
133.10112	4.2
135.08067	3.6
143.10674	1.8
145.10081	2.9
147.11731	2.5
149.09677	3.0
153.09102	3.0
159.11711	2.0
161.13339	1.7
171.10188	7.7
171.11478	1.5
174.99231	8.6
176.98943	2.7
181.12265	1.9
183.11679	1.3
189.11237	50.8
197.31712	1.3
239.17946	2.0
257.18997	4.9
260.89548	1.5
275.20096	37.1
293.21033	2.6
302.01654	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90466	1.3
55.05273	1.3
55.05518	16.3
61.22273	1.0
67.05504	9.8
69.03441	1.2
69.07074	19.4
70.21891	3.6
79.05498	11.1
81.07059	9.9
83.04974	1.3
83.08620	9.1
91.05475	5.1
93.07047	4.8
93.58881	1.0
95.08628	5.9
97.06530	2.1
97.10179	21.1
98.98471	100.0
105.07034	7.5
107.08607	19.1
117.07036	1.6
119.08598	4.0
121.10114	1.8
125.09634	18.7
131.08553	1.7
133.10150	4.1
133.23708	1.3
135.08075	1.9
138.12767	2.3
145.10112	1.8
147.11697	1.9
149.09653	1.3
161.13301	1.7
171.10225	5.6
173.23831	1.0
174.99203	7.1
175.99463	1.3
176.98985	3.3
189.11227	21.3
189.12772	2.0
217.16154	1.2
234.59589	1.2
252.99687	1.2
257.19067	2.8
275.20041	14.7
308.15451	1.1
336.34967	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1758
Annotation	Cropodine
Peak:m/z	Relative Intensity
51.38206	0.2
53.03945	0.8
55.01870	0.5
55.05516	0.4
56.96567	0.9
57.03444	0.5
58.06599	0.5
58.43540	0.2
61.02929	0.6
65.03959	0.4
67.05502	0.5
69.03440	1.9
69.77354	0.8
70.06597	3.5
70.98121	0.4
72.08151	1.0
73.02928	0.4
77.03928	0.3
79.05495	0.2
81.03411	1.1
81.07053	0.2
83.04990	0.6
83.06134	0.2
84.04501	0.3
84.08160	1.4
85.02909	3.1
86.09722	0.5
87.04465	0.3
88.04001	0.2
88.77403	0.2
89.03915	0.3
91.04002	0.2
91.05493	4.0
93.03428	0.3
93.07053	7.2
94.06602	0.2
95.04982	1.2
97.02905	1.7
98.03191	0.2
98.97607	1.6
98.98477	12.5
99.04436	0.3
101.00902	1.3
102.00930	0.9
103.02418	0.2
103.05482	4.4
104.02586	0.2
104.10757	0.3
105.04493	0.5
106.06539	0.2
107.03447	0.2
109.02884	0.6
110.07184	1.4
110.97620	0.3
111.04498	0.3
116.98630	1.0
116.99432	0.3
117.03440	0.4
119.01937	3.8
120.02020	2.9
121.01661	0.5
121.06516	100.0
122.06052	0.2
122.06864	0.6
123.04419	0.2
125.04539	0.3
126.04644	0.3
127.03884	0.9
128.98621	0.3
129.00473	0.2
129.05501	0.8
129.10254	0.3
130.93365	0.2
131.01932	0.5
132.02020	0.3
134.99728	0.3
135.04434	0.4
136.07576	0.4
137.02959	0.8
137.05963	0.4
138.03036	1.0
139.02560	0.3
140.07040	0.3
143.01883	0.4
145.03590	0.3
145.04968	0.5
147.01418	0.4
147.04352	0.3
148.01471	0.4
148.07574	0.8
150.05493	1.2
152.07112	0.4
153.03978	0.4
154.04146	0.7
155.01866	0.5
156.07726	0.4
158.06631	0.4
158.09315	0.2
161.02969	0.6
162.85172	0.2
163.03883	2.2
165.07005	0.3
166.07471	0.3
166.08635	0.9
166.12300	10.8
167.08565	1.0
168.01906	0.2
169.03456	0.3
170.06657	0.2
171.04994	0.2
172.05208	0.9
172.94397	1.0
173.03027	0.3
174.97816	0.3
174.99265	0.8
175.99644	0.3
176.99008	0.3
177.00867	0.4
177.07050	0.4
178.07817	0.4
179.01884	0.3
180.02003	0.4
185.02899	0.4
185.06627	0.3
188.07727	0.6
190.02629	0.4
190.95438	0.8
191.08537	0.4
195.08083	0.6
196.05121	1.1
197.02986	0.6
197.57420	0.2
198.03140	1.2
198.06781	0.4
198.97766	0.2
199.02715	0.2
200.04379	0.2
203.04002	0.3
207.08099	0.2
208.03687	0.2
208.08965	0.2
212.04295	0.4
214.95471	0.4
215.04030	0.3
216.04298	0.7
217.04572	0.3
219.01947	0.3
219.08093	0.8
221.04962	0.3
221.09389	0.2
222.03152	0.5
223.07620	0.5
225.09103	0.2
229.11824	0.2
230.05330	0.2
232.96458	2.1
236.10672	0.6
237.57930	0.5
238.12355	0.5
240.04291	0.3
240.10147	0.7
245.05063	0.4
246.05421	0.2
247.05672	0.3
250.02716	0.3
250.97539	0.8
256.02136	0.2
258.05276	0.6
263.03299	0.2
265.08630	0.7
268.03848	0.3
269.08023	0.2
282.11353	1.4
286.04977	0.2
287.04083	0.3
300.12415	0.4
310.08755	0.4
328.06183	1.7
328.17569	43.5
329.05493	0.3
329.17892	0.8
346.04919	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1593
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
52.58183	0.3
53.03940	0.7
55.01866	1.2
55.05511	1.2
57.07064	0.5
59.23127	0.3
65.03946	0.3
67.05510	2.0
69.03427	1.4
69.07067	0.8
70.06583	1.3
71.04974	0.3
71.49426	0.5
72.08158	1.8
72.69128	0.3
77.01595	0.6
77.03944	0.4
79.05497	2.3
81.03425	2.8
81.07059	2.6
83.08604	0.4
84.08145	2.4
85.06531	0.5
86.09715	0.7
91.05489	3.7
91.58918	0.3
93.07027	1.7
94.04192	1.2
95.04954	1.0
95.08621	1.6
97.02898	0.3
97.06533	0.8
97.26905	0.3
98.98469	100.0
99.04464	0.7
100.11241	0.8
101.11611	0.3
103.05471	10.1
105.07025	5.7
107.04958	1.7
107.08600	0.8
108.08133	0.5
109.02918	1.8
109.06516	1.8
109.10172	2.3
115.05447	1.3
115.12289	0.4
116.99528	1.4
117.07024	1.4
119.04917	0.8
119.08586	0.9
120.05723	0.4
120.08124	3.9
121.06500	3.7
121.10208	0.6
122.03664	4.1
123.04435	0.9
123.08053	0.9
125.05901	0.4
125.09632	0.5
127.03903	0.6
127.49533	0.3
128.06230	1.0
129.06960	0.4
129.10263	0.4
130.08650	0.4
131.04930	11.1
131.08589	0.6
133.06497	18.5
133.10141	0.6
135.04453	0.6
135.08061	6.4
137.05981	52.3
137.09587	3.7
138.06358	0.6
143.04951	0.8
143.08566	0.7
145.06483	4.1
145.10168	0.6
147.04510	0.7
147.08072	1.2
149.05997	0.7
151.03926	0.7
151.07553	5.8
153.06996	0.3
157.06474	1.8
159.08122	0.4
161.05966	0.6
162.06734	0.6
163.07547	27.9
165.06960	0.5
165.09157	2.8
171.04492	0.4
171.08075	1.1
173.06007	0.5
174.06749	0.6
174.99234	9.9
175.07547	1.7
177.04233	0.6
177.09122	0.7
178.04945	0.6
187.07553	1.0
188.08179	0.4
189.05453	1.3
189.09119	1.3
189.15997	0.4
190.05022	0.5
197.05920	0.6
203.07033	0.5
203.10719	0.8
206.07288	0.5
207.08081	0.5
211.07448	0.4
214.08560	0.4
215.07019	0.8
216.07715	0.4
220.08716	0.4
221.05919	0.3
232.09685	2.9
233.10008	0.7
234.06842	0.6
235.07411	0.8
235.11188	1.2
237.05511	0.4
245.09625	0.9
248.08392	0.4
249.09106	0.9
251.00011	1.6
251.06989	0.4
263.10699	2.8
267.06573	0.6
267.10190	0.8
277.08621	1.0
281.08432	0.4
281.11661	0.6
285.07571	1.6
291.19879	0.5
294.33844	0.4
295.10010	0.5
295.13226	4.7
309.08679	0.4
317.37595	0.3
326.67035	0.5
327.04532	0.7
327.08832	2.3
327.12003	1.1
327.15921	3.9
336.23022	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58183	0.3
53.03940	0.7
55.01866	1.2
55.05511	1.2
57.07064	0.5
59.23127	0.3
65.03946	0.3
67.05510	2.0
69.03427	1.4
69.07067	0.8
70.06583	1.3
71.04974	0.3
71.49426	0.5
72.08158	1.8
72.69128	0.3
77.01595	0.6
77.03944	0.4
79.05497	2.3
81.03425	2.8
81.07059	2.6
83.08604	0.4
84.08145	2.4
85.06531	0.5
86.09715	0.7
91.05489	3.7
91.58918	0.3
93.07027	1.7
94.04192	1.2
95.04954	1.0
95.08621	1.6
97.02898	0.3
97.06533	0.8
97.26905	0.3
98.98469	100.0
99.04464	0.7
100.11241	0.8
101.11611	0.3
103.05471	10.1
105.07025	5.7
107.04958	1.7
107.08600	0.8
108.08133	0.5
109.02918	1.8
109.06516	1.8
109.10172	2.3
115.05447	1.3
115.12289	0.4
116.99528	1.4
117.07024	1.4
119.04917	0.8
119.08586	0.9
120.05723	0.4
120.08124	3.9
121.06500	3.7
121.10208	0.6
122.03664	4.1
123.04435	0.9
123.08053	0.9
125.05901	0.4
125.09632	0.5
127.03903	0.6
127.49533	0.3
128.06230	1.0
129.06960	0.4
129.10263	0.4
130.08650	0.4
131.04930	11.1
131.08589	0.6
133.06497	18.5
133.10141	0.6
135.04453	0.6
135.08061	6.4
137.05981	52.3
137.09587	3.7
138.06358	0.6
143.04951	0.8
143.08566	0.7
145.06483	4.1
145.10168	0.6
147.04510	0.7
147.08072	1.2
149.05997	0.7
151.03926	0.7
151.07553	5.8
153.06996	0.3
157.06474	1.8
159.08122	0.4
161.05966	0.6
162.06734	0.6
163.07547	27.9
165.06960	0.5
165.09157	2.8
171.04492	0.4
171.08075	1.1
173.06007	0.5
174.06749	0.6
174.99234	9.9
175.07547	1.7
177.04233	0.6
177.09122	0.7
178.04945	0.6
187.07553	1.0
188.08179	0.4
189.05453	1.3
189.09119	1.3
189.15997	0.4
190.05022	0.5
197.05920	0.6
203.07033	0.5
203.10719	0.8
206.07288	0.5
207.08081	0.5
211.07448	0.4
214.08560	0.4
215.07019	0.8
216.07715	0.4
220.08716	0.4
221.05919	0.3
232.09685	2.9
233.10008	0.7
234.06842	0.6
235.07411	0.8
235.11188	1.2
237.05511	0.4
245.09625	0.9
248.08392	0.4
249.09106	0.9
251.00011	1.6
251.06989	0.4
263.10699	2.8
267.06573	0.6
267.10190	0.8
277.08621	1.0
281.08432	0.4
281.11661	0.6
285.07571	1.6
291.19879	0.5
294.33844	0.4
295.10010	0.5
295.13226	4.7
309.08679	0.4
317.37595	0.3
326.67035	0.5
327.04532	0.7
327.08832	2.3
327.12003	1.1
327.15921	3.9
336.23022	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19707	0.8
52.09893	0.8
54.42019	0.7
55.05518	3.9
56.96563	3.9
57.03436	1.3
58.81800	1.0
58.99857	2.5
61.02922	2.2
65.03947	4.7
67.05519	6.6
69.03427	4.7
69.07066	0.8
69.44339	6.0
70.06594	3.9
73.02892	1.8
81.03423	4.2
82.99828	4.8
83.04987	7.7
84.04526	1.5
84.08151	5.2
85.01393	3.1
85.02906	9.2
86.03226	0.8
89.03885	1.2
91.05470	4.3
93.03405	6.3
95.05006	4.4
97.02895	4.0
98.97623	3.6
98.98471	98.0
99.04491	0.9
101.00888	42.8
102.00966	1.1
103.00636	0.8
103.02449	5.0
104.10767	9.7
107.03468	6.4
109.68907	0.7
110.07174	1.9
111.04443	5.0
113.00877	1.5
115.02404	2.0
119.01926	100.0
119.04914	3.1
120.02144	0.8
121.02850	11.3
121.03579	0.9
121.06497	3.1
125.04508	6.7
127.02426	3.8
127.03877	1.7
127.08599	0.9
128.98631	1.3
129.00294	1.3
129.10287	1.5
131.00214	0.9
131.01898	3.2
133.03505	1.9
133.05017	0.7
135.02940	2.2
135.04355	1.1
136.07561	2.4
137.02960	18.1
137.05986	7.6
138.06361	2.2
139.02420	2.4
139.03908	2.5
141.03944	2.5
142.03583	1.1
143.01888	2.8
144.02017	2.1
145.01717	1.5
145.03552	7.5
145.04816	1.2
145.07605	1.1
147.01373	9.9
147.04393	6.9
148.04753	2.1
151.02397	2.7
151.06059	1.7
153.03992	16.5
155.01904	2.2
155.05585	1.2
155.08141	0.9
156.07693	0.8
157.03473	3.1
158.99678	1.9
159.05074	2.4
161.00864	1.2
161.02962	4.0
161.04420	1.2
162.03130	2.0
163.02699	1.6
163.04025	1.5
165.02463	5.0
167.01936	4.1
169.03549	5.5
171.01421	2.1
171.05032	15.8
173.02951	1.9
173.06619	1.2
174.99231	12.1
177.00542	1.0
177.03975	2.2
179.01906	13.0
179.05530	3.7
179.06985	1.8
181.03529	1.0
185.02936	1.5
185.06535	1.7
187.04558	2.1
189.02422	16.1
189.05879	0.8
194.00606	2.1
195.05069	12.4
197.02971	28.6
197.06650	7.0
197.10461	1.1
203.02029	2.1
205.00183	1.0
205.03523	1.7
207.03468	6.1
211.04555	2.3
213.06027	4.5
215.03981	15.1
215.07484	1.5
217.05399	1.1
221.02980	9.6
221.04915	1.4
223.04492	6.7
232.96471	1.0
233.05069	1.0
236.59055	2.7
237.08643	1.0
239.04034	6.2
241.05565	3.3
249.02498	6.0
251.00085	1.4
255.01743	1.1
257.05090	9.8
267.03595	4.1
275.09940	1.3
277.09659	0.8
285.04547	5.2
293.10809	2.3
294.11063	2.2
295.10663	1.9
309.04587	1.7
309.08545	1.1
327.05606	33.3
328.06094	0.9
328.17749	1.7
345.06830	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	325.2737
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
50.64006	3.5
53.03941	7.8
55.05518	36.3
57.07068	11.1
67.05512	31.0
69.03419	7.9
69.06743	3.8
69.07080	50.2
69.84428	17.1
70.74183	3.5
71.05000	4.1
79.05512	18.2
81.07063	90.5
83.04969	4.3
83.08627	22.5
85.06550	18.7
91.05470	9.3
93.07047	18.4
94.56841	3.4
95.04957	6.1
95.08617	100.0
97.06527	7.9
97.10189	26.9
98.97586	13.3
99.08085	16.6
101.05934	4.2
105.07023	12.1
105.97682	4.0
107.08605	21.7
109.06490	5.1
109.10172	45.5
110.26881	3.7
111.08106	12.0
111.11751	8.3
116.98631	6.6
119.08573	9.9
121.10144	10.4
123.08009	3.8
123.11719	24.7
131.08591	6.9
133.10143	6.4
135.08090	4.4
135.11717	8.3
137.13243	5.9
139.11159	10.9
147.11644	8.6
149.13257	10.9
151.11255	4.9
151.14827	12.8
157.12352	6.8
159.11632	4.4
163.03941	3.9
163.14835	6.2
167.10681	3.8
183.11580	4.5
205.06599	4.9
229.04779	5.3
237.18507	8.3
251.88025	3.8
265.04843	7.5
265.08813	4.8
269.08194	5.9
279.26810	7.1
289.25241	6.5
293.07867	4.6
303.01862	5.7
307.26309	25.6
325.07150	11.0
325.10754	8.4
325.27576	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	325.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.0
55.01865	1.8
55.05503	0.9
57.03441	2.6
58.54641	0.4
59.04990	0.7
61.02913	1.0
67.05511	0.8
69.03432	16.2
69.07066	0.8
70.06599	3.4
71.01340	1.3
71.05000	5.1
71.47623	0.9
72.08138	1.7
73.02909	1.6
79.05492	1.2
81.03423	17.4
81.07047	1.2
83.05003	1.0
84.04498	0.5
84.08149	5.3
85.02898	2.0
86.09230	0.5
86.09716	5.7
87.04489	1.0
91.05482	2.8
93.07039	1.5
95.04946	0.9
95.08599	0.8
97.02901	0.7
97.06557	0.7
99.04456	6.6
103.05492	0.5
105.07043	0.8
107.04970	1.5
107.08614	3.1
109.02880	0.8
109.06539	0.6
110.07172	0.6
111.08080	0.6
115.05501	0.7
117.05518	1.8
118.06545	4.2
119.04945	0.6
119.08547	0.6
120.08112	4.5
121.02864	1.1
121.10168	0.6
123.04479	0.8
123.08093	0.7
125.09646	0.8
127.03931	0.7
129.10255	3.9
135.04376	1.6
135.08047	1.7
136.07556	0.7
137.06006	2.3
137.09500	0.6
143.11807	2.4
145.06563	0.7
145.07619	6.4
147.04439	0.8
147.05553	0.5
147.09184	10.5
148.11182	0.6
149.09581	0.6
151.03940	0.6
153.09018	0.6
154.19089	0.6
158.84048	0.6
161.05890	0.7
161.07196	0.6
161.09654	0.6
162.07864	1.3
163.03914	9.3
163.07535	1.7
163.08727	1.1
173.07115	11.7
175.07385	0.5
175.08702	5.2
176.01610	0.7
191.08167	100.0
192.08449	0.6
204.01198	0.8
205.06548	0.6
205.09743	0.8
209.04440	1.5
213.10323	0.8
215.08260	0.6
233.09348	1.9
250.06161	0.5
265.08505	0.8
279.06531	0.7
281.14969	2.4
289.11694	2.3
293.11655	0.7
297.07816	0.8
307.12900	30.2
325.07645	5.8
325.13986	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1396
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
53.03954	1.5
55.01882	1.6
55.05522	1.4
55.91092	0.7
57.03448	4.3
60.04512	0.7
61.02934	1.8
65.03944	0.8
67.05501	2.6
69.03433	17.5
69.07081	1.1
70.02930	0.7
70.06617	3.6
70.81532	1.6
71.01370	1.3
71.04996	2.8
72.08164	1.1
73.02930	1.9
75.04486	0.9
79.05505	2.4
79.23431	0.7
81.03417	2.9
81.07057	1.7
83.05009	1.9
84.08157	2.7
85.02922	1.8
86.09711	1.9
91.05471	3.5
93.07069	1.6
95.04945	0.8
95.08591	4.8
99.04466	1.8
105.03419	0.7
105.07036	1.8
107.04985	1.0
107.08612	2.8
110.07191	0.8
111.04462	0.9
117.06999	0.9
118.06558	2.4
119.08586	2.0
120.02094	0.8
120.08115	1.9
123.04446	3.0
123.08057	0.7
125.09635	1.3
129.10207	0.7
131.04976	1.1
131.08560	0.8
132.06833	1.4
135.04430	1.7
135.08044	2.3
137.02338	1.6
137.05972	0.9
145.06554	1.1
145.07619	8.7
146.08461	1.0
147.09177	99.9
149.09622	1.0
159.04372	0.9
159.09195	3.5
160.10042	1.1
160.18248	0.8
161.09618	0.8
163.03903	6.7
163.07547	1.4
173.07083	3.7
177.09129	0.9
178.05858	0.8
185.10878	0.7
187.04028	0.9
190.09799	1.0
191.08165	100.0
192.08568	0.9
196.11620	1.6
203.03369	0.8
203.10564	1.2
205.06535	1.0
209.04440	3.6
221.11853	1.3
233.06169	1.0
237.05409	0.9
251.06900	0.8
261.67917	0.7
263.13904	3.1
265.05258	0.8
281.14966	48.5
282.15366	0.8
283.05835	1.1
289.11877	1.4
307.09702	1.0
307.12958	10.2
307.63745	0.8
325.07056	4.5
325.13919	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	325.092
Annotation	Skimmin
Peak:m/z	Relative Intensity
53.03941	0.4
55.01868	0.4
60.04521	0.3
65.03938	0.6
69.03399	0.7
70.06601	2.1
70.99954	0.3
71.00288	0.5
72.08157	0.7
79.05474	0.5
81.03425	0.3
81.07052	0.5
84.08114	0.9
85.02899	1.1
86.09693	0.9
91.04980	0.4
91.05486	5.7
97.02882	0.5
97.39387	0.3
99.08061	0.4
107.04958	9.7
109.02874	0.3
109.06542	0.3
110.07168	0.5
117.09133	1.4
119.04945	8.0
120.08064	0.8
121.02881	0.8
123.04438	2.4
127.07537	0.8
129.10237	0.5
133.06476	0.3
135.04410	0.9
150.05560	0.4
151.03984	0.3
163.03902	100.0
164.04239	1.1
175.03932	0.5
193.04984	0.4
194.28033	0.3
201.05699	0.4
203.03392	0.9
205.06516	0.6
209.04436	0.4
214.82262	0.3
233.06044	0.5
279.06467	0.8
297.07571	0.7
307.12671	0.3
325.07083	1.1
325.14011	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2171
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
55.01873	1.0
55.05500	1.7
67.05499	3.9
69.07074	9.9
70.53454	2.0
71.04990	0.9
79.05514	3.7
81.07067	7.7
83.04995	3.8
86.09713	100.0
91.05486	10.6
92.11083	0.7
93.07052	12.0
95.04990	1.5
95.08601	2.1
99.57883	0.6
105.07043	12.0
107.08604	3.4
109.06530	9.4
111.08088	3.1
119.08564	4.1
121.06571	0.8
121.10107	1.1
123.08110	1.3
128.10747	4.2
131.08594	3.8
132.10216	30.1
133.06534	0.9
133.10139	16.3
147.11708	10.4
149.09619	2.1
149.13373	0.7
151.07600	2.8
151.11189	42.2
156.10240	1.2
165.12807	1.7
167.14302	1.0
175.11221	3.4
178.00438	0.7
193.12254	3.6
222.14928	1.3
227.17323	0.7
260.20099	5.7
278.21170	30.0
306.20523	5.4
324.21683	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	323.2582
Annotation	12S-HETrE
Peak:m/z	Relative Intensity
51.03252	0.7
53.03943	2.3
55.05515	50.6
57.03444	1.3
57.07064	2.9
64.04136	0.8
65.03962	0.7
67.05511	9.7
69.03425	3.1
69.07072	25.6
69.78176	4.8
71.04977	1.4
71.08605	1.1
73.06576	1.0
76.48438	0.8
77.49500	0.9
79.05492	4.6
80.68777	1.0
81.06598	1.3
81.07064	23.7
83.08620	5.2
85.06546	3.9
91.05475	2.9
93.07033	9.3
95.04961	1.5
95.08614	26.8
97.06526	3.2
97.10176	100.0
98.10473	1.0
99.04444	1.5
99.08121	1.9
105.07020	6.0
105.17133	0.9
107.08590	12.8
109.06567	1.3
109.09471	1.3
109.10159	12.3
111.08090	6.2
111.11710	2.9
119.08567	3.6
121.10163	7.8
123.08123	1.5
123.11692	11.5
125.09633	21.0
133.09109	1.0
133.10139	3.8
135.11717	5.0
137.09612	3.1
137.13264	4.2
139.07545	2.1
139.11195	8.2
143.10678	42.1
145.10062	1.2
147.11711	2.3
148.11208	2.5
149.13269	8.9
151.11159	1.8
153.12741	1.1
155.10747	0.9
157.12228	4.4
159.11728	1.9
161.13240	2.8
163.14822	5.0
165.09113	2.3
167.14241	1.6
169.12169	1.1
171.10197	5.3
175.14877	1.8
177.16411	1.4
179.14346	2.4
189.11203	5.3
189.16394	1.6
203.12822	1.2
207.17416	1.1
218.41766	0.9
277.25388	1.0
287.23590	1.3
291.10101	1.3
305.24738	16.0
323.09201	1.2
323.12680	1.1
323.25854	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1959
Annotation	CW 69D
Peak:m/z	Relative Intensity
51.02381	0.3
53.03955	0.7
55.01870	0.4
55.05485	0.5
56.94287	0.4
57.07084	0.3
60.85277	0.3
67.05502	0.9
69.07066	0.4
69.21347	3.0
70.95855	1.0
72.93785	2.0
79.05500	18.2
81.07053	1.2
84.08131	0.3
86.09707	0.7
90.94829	0.8
91.05485	1.1
93.07066	2.3
93.72548	0.3
95.04957	1.0
95.08609	0.6
100.01572	0.3
103.05475	36.3
103.68451	0.3
104.05835	0.3
105.04504	0.5
105.07046	3.1
106.17524	0.3
107.04961	17.8
107.08626	0.4
112.39532	0.3
118.06548	5.5
121.06504	1.1
121.10121	0.3
123.11739	0.4
124.12090	0.4
128.96227	0.4
131.04942	11.2
132.08112	2.0
133.08882	1.1
134.09610	0.5
144.99396	0.4
146.09659	2.0
147.10469	0.5
149.05998	0.4
149.11536	0.3
154.97928	0.5
160.11276	0.6
166.97858	0.5
176.14357	44.1
177.14700	0.9
188.87666	0.3
192.99521	0.4
199.02190	0.5
227.03688	0.4
255.06854	0.5
257.08453	0.3
259.92120	0.3
265.05286	1.0
283.06287	4.1
301.07367	7.5
306.25116	0.4
324.19589	100.0
325.19931	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2582
Annotation	8-HETrE
Peak:m/z	Relative Intensity
53.03944	1.8
55.01870	2.2
55.05512	46.7
57.03425	2.7
57.07077	4.6
59.04992	1.3
67.05505	15.0
69.03431	4.2
69.05208	0.7
69.07069	40.8
69.42306	0.8
70.92702	1.1
70.93037	1.6
71.04987	2.0
71.08633	1.0
73.06558	1.5
79.05499	7.7
81.07059	44.7
83.04961	2.8
83.08616	6.8
85.06535	5.5
87.08096	1.3
91.05458	3.6
93.07047	19.1
95.04979	1.8
95.08610	46.6
97.06518	6.1
97.10172	100.0
99.08095	2.0
100.86674	0.9
101.06030	0.8
105.07028	7.2
107.08601	18.4
109.06509	1.7
109.10160	19.0
111.08081	9.5
111.11709	8.2
115.11192	1.7
119.08567	6.4
121.09330	1.3
121.10143	15.9
121.10953	1.6
123.08028	2.3
123.10835	1.4
123.11701	18.4
125.08779	1.3
125.09639	17.0
132.10236	1.3
133.10124	4.8
135.11674	8.9
137.09599	1.9
137.13257	6.3
139.11188	19.5
143.10672	32.0
145.10092	2.3
145.11240	0.9
147.11728	3.8
148.11198	2.1
149.13264	15.6
151.11166	2.0
151.14764	1.7
153.12727	4.5
157.12244	16.8
159.11697	1.7
161.05881	1.6
161.13292	3.7
163.14853	5.4
165.12799	1.6
167.14320	1.6
171.10236	5.2
175.14876	2.3
177.16327	0.8
179.10910	0.7
179.14255	1.9
189.11191	4.1
189.16396	1.5
191.17967	0.9
195.13913	1.0
203.12817	2.2
215.17941	0.8
223.16962	1.1
231.21324	2.0
237.18410	0.8
248.08337	1.0
249.15730	0.7
249.18475	2.4
249.22168	1.0
259.24255	1.6
263.10852	1.1
269.22861	0.9
277.25229	3.5
287.23669	3.0
291.10138	2.8
305.24765	19.9
323.09171	1.3
323.12762	2.0
323.25900	24.3
324.26202	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1602
Annotation	Tiruchanduramine
Peak:m/z	Relative Intensity
54.06852	0.2
70.94374	0.4
71.94632	0.2
79.05500	0.2
91.05497	0.7
95.67676	0.2
103.05486	0.2
104.06280	0.3
104.17701	0.2
105.07041	3.1
117.07038	0.2
132.08083	0.4
133.08878	9.8
146.09669	0.3
147.10368	0.2
148.11217	100.0
149.11549	0.8
323.12094	0.4
323.16016	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	323.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22275	0.2
52.56947	0.2
53.03949	0.4
54.05687	0.2
55.05501	0.9
63.42218	0.3
67.05500	0.8
69.03432	0.6
69.07072	0.4
70.06593	1.0
70.28279	0.6
70.28663	0.6
72.08144	1.0
78.01509	0.2
79.05488	3.4
80.05016	0.8
81.03416	0.3
81.05800	3.5
81.07050	2.5
82.06577	0.4
83.04992	0.3
84.08142	0.7
84.41418	0.2
86.09708	0.8
91.05489	0.9
93.07040	0.5
94.06561	1.1
95.04963	0.7
95.08595	0.3
96.08139	14.4
105.07047	0.5
106.06571	2.3
107.04996	0.4
108.08126	0.5
109.06522	0.3
110.06075	0.4
111.08061	0.5
121.10199	0.2
122.06023	0.4
123.04436	0.9
124.07602	100.0
125.07948	0.6
129.10243	0.3
131.04897	0.4
133.08893	0.5
136.07587	4.1
137.06013	2.1
138.05479	0.4
138.09146	1.6
147.46912	0.2
148.11221	5.7
148.12320	0.5
149.11572	0.5
164.07095	2.3
165.05511	1.0
176.96959	0.3
180.06584	0.4
182.08180	2.2
183.06558	0.4
200.09128	0.5
200.10782	0.7
214.12288	0.4
218.11833	0.4
242.75452	0.3
246.11229	1.4
260.12778	0.8
263.10489	0.3
288.12283	1.3
291.10269	0.5
305.14822	0.4
306.13437	3.0
323.05527	0.5
323.09158	0.5
323.12634	0.8
323.16116	0.9
323.19510	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1602
Annotation	Tiruchanduramine
Peak:m/z	Relative Intensity
70.27422	0.7
74.01971	0.2
91.05479	0.6
93.29330	0.2
94.88136	0.2
98.21410	0.3
101.62068	0.2
105.07043	2.7
106.74852	0.2
111.12223	0.2
119.38786	0.2
132.08099	0.6
133.08879	9.3
147.10495	0.3
148.11218	100.0
149.11563	3.6
191.13908	0.2
323.16003	6.4
347.45050	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0739
Annotation	Unknow
Peak:m/z	Relative Intensity
70.26357	29.6
201.99785	8.7
217.34096	8.1
263.62051	8.8
323.07391	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1277
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
58.52361	1.3
67.05479	1.5
69.03425	3.5
69.07061	1.6
70.06583	1.6
70.29863	2.7
70.30224	3.0
72.08152	3.2
77.23814	1.2
79.05481	3.0
81.07052	2.4
81.27799	1.1
84.08142	1.5
86.09693	2.0
91.05483	2.7
93.07036	1.7
95.04961	1.4
95.08601	2.0
103.05450	3.4
105.07037	12.9
109.06498	2.8
115.05417	7.0
118.04088	1.7
121.10171	1.6
122.03625	4.4
125.09645	1.9
128.06177	2.1
131.04901	2.1
133.06519	8.1
136.07523	1.6
137.05981	51.1
139.05440	1.7
146.03648	10.7
146.89908	1.3
148.11224	10.5
149.05965	2.2
151.07529	1.3
161.05988	94.9
162.06570	1.9
165.06990	1.6
169.12233	1.5
175.07416	2.0
184.05124	2.1
190.05063	1.3
191.08588	3.8
199.07526	15.7
202.07774	21.8
203.08568	32.7
204.09264	1.7
205.06404	3.6
213.07007	2.2
218.07240	1.8
219.08011	12.6
220.08812	10.9
221.09610	1.7
230.07291	3.2
231.08060	53.9
232.08856	10.1
235.11102	2.3
237.09076	2.6
243.07925	1.9
247.07613	9.0
247.70526	1.3
248.08342	29.9
249.08913	3.1
258.06689	4.3
259.07547	45.4
260.08331	16.9
261.09122	2.8
262.09967	1.5
263.10678	27.4
265.08572	5.1
273.09079	2.1
275.06982	3.9
276.07816	16.1
277.08560	7.9
279.09995	1.8
291.10162	79.8
292.10907	6.9
293.08075	9.6
295.13287	4.1
305.11575	1.3
308.10355	9.5
323.09323	6.3
323.12729	100.0
324.12906	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0553
Annotation	7,7'-Dihydroxy-3,8'-biscoumarin
Peak:m/z	Relative Intensity
50.33321	0.4
55.01868	1.0
55.05504	0.4
56.04993	0.3
56.21090	0.3
58.32155	0.3
60.57234	0.3
65.03946	0.4
70.06598	2.5
70.82250	0.8
72.08148	1.5
73.22071	0.4
75.02393	0.4
81.03394	0.4
81.70367	0.4
84.04506	0.8
84.08136	2.1
85.02898	0.5
86.09715	2.7
87.04470	0.4
88.03970	0.6
89.03902	1.1
91.05499	0.7
105.03418	0.4
105.07033	0.5
107.04948	0.4
107.08577	0.4
109.02905	0.4
112.08753	0.4
114.05550	0.4
117.03375	0.9
119.04886	0.6
121.02853	0.4
123.04449	2.3
129.03328	0.5
129.10275	0.6
130.06529	0.9
130.08679	0.5
133.02818	2.1
133.08873	1.1
134.03670	0.7
135.04434	0.7
136.07585	1.2
136.51404	0.4
137.02397	0.9
141.06978	1.0
143.04933	0.4
145.02867	1.6
147.04433	1.0
148.11218	14.7
149.09642	0.4
149.11644	0.4
150.03123	0.4
151.03905	0.5
152.06267	0.6
153.06956	0.7
154.07668	0.4
155.08540	1.2
157.48427	0.4
159.04465	0.7
161.02370	1.6
161.05986	0.5
162.03130	0.7
163.03908	5.2
165.07008	20.6
167.04753	0.4
169.06548	0.9
173.02356	2.2
175.03912	0.8
176.06226	1.5
177.05482	1.0
177.07018	2.1
179.04947	0.4
180.22949	0.4
181.06470	1.1
182.07338	0.5
183.04295	0.4
183.08052	1.2
184.05154	0.4
184.38303	0.4
187.03857	0.9
189.05438	0.4
192.05630	0.8
193.06502	13.6
194.06923	0.5
195.08002	0.4
197.05991	3.2
201.01761	0.6
203.03294	0.5
203.04935	1.8
203.08669	0.6
205.06525	4.0
210.06758	0.7
211.07571	3.9
221.05986	35.4
222.06445	0.7
223.07616	1.0
225.05449	2.1
231.04463	1.5
231.07948	0.5
233.05968	2.1
234.06688	0.4
234.97093	0.7
237.05415	0.7
238.06223	0.9
239.07043	9.7
248.08372	0.9
249.05490	43.5
250.06116	2.5
251.07001	1.4
252.04161	0.4
252.98010	0.7
253.05031	1.8
259.03958	1.3
259.07559	0.4
261.05472	1.5
263.10416	0.6
266.05731	1.4
267.06549	10.6
276.07901	0.6
277.04971	26.8
278.05527	1.2
279.06522	6.7
281.04391	0.8
287.09549	0.4
291.10077	1.3
291.13214	0.4
295.06033	47.5
296.06360	0.8
305.04443	8.3
305.11276	1.1
305.14682	0.4
323.05521	100.0
323.12155	2.6
323.16174	1.6
324.05850	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	322.2743
Annotation	alpha-Linolenoyl Ethanolamide
Peak:m/z	Relative Intensity
53.03952	0.8
54.13724	0.4
55.01874	0.5
55.05516	4.5
57.07075	0.8
60.04519	1.5
60.61398	0.4
62.06094	100.0
65.03952	0.6
67.05510	16.6
69.07079	4.4
70.02914	0.4
79.05499	10.6
81.07061	19.0
83.08619	2.0
88.03998	0.5
90.16129	0.4
91.05486	5.4
93.07049	12.5
95.04993	0.7
95.08616	15.1
97.06562	0.5
97.10162	0.6
97.95470	0.4
98.06065	1.1
105.07034	3.9
107.08609	6.8
109.06565	0.7
109.10171	5.6
117.07034	1.2
119.08585	2.4
121.10143	5.5
122.76857	0.4
123.11707	2.7
125.18281	0.5
130.08699	0.6
131.08554	3.0
133.10117	2.2
135.11688	3.8
137.13290	1.0
144.10225	0.5
145.10133	2.0
147.11725	1.8
148.11243	1.4
149.13252	2.4
159.11743	1.9
160.92410	0.4
161.13286	1.7
163.14810	2.1
172.13312	0.7
173.13272	2.1
177.16422	1.5
183.13858	0.5
186.14882	0.8
187.14746	0.7
198.14958	0.5
200.16553	1.0
214.18112	1.1
226.18028	0.7
228.19595	0.8
240.19618	0.6
243.21037	2.5
252.19353	0.5
261.22150	3.7
284.66101	0.4
304.26340	2.8
305.24658	2.0
322.27463	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37092	0.2
62.77141	0.2
70.61958	0.4
78.25426	0.2
83.71121	0.2
91.05487	0.6
97.41194	0.2
99.77316	0.2
105.07047	2.4
123.14570	0.2
132.08104	0.5
133.08882	8.7
146.09631	0.3
148.11217	100.0
149.11548	1.1
305.14825	0.3
322.17618	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	322.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.7
55.01879	5.7
55.05518	32.3
56.05844	3.9
57.03427	7.7
57.05837	3.5
66.63833	3.4
67.05505	9.7
69.03422	12.9
69.07063	11.4
69.49823	23.3
70.06600	4.5
71.12728	3.0
72.08157	100.0
73.08479	13.6
79.05492	24.0
81.07062	34.4
83.04991	4.9
83.51814	2.8
84.08144	29.7
85.02909	8.4
85.08482	6.7
89.71495	3.0
91.05499	17.3
93.07052	11.3
93.25755	3.3
94.07378	3.5
95.01335	17.4
95.04962	7.6
95.08607	11.4
97.06532	20.0
101.12728	4.2
103.67174	3.2
105.07030	9.7
107.04955	5.1
107.08613	7.1
109.06541	16.9
109.10220	2.9
111.04451	3.4
114.63369	3.2
117.07020	6.7
118.06548	14.6
119.04923	6.8
119.06870	4.6
119.08572	8.8
120.08111	5.2
121.02744	2.9
121.06506	12.6
121.10163	3.4
123.08090	4.1
125.05933	3.4
127.08759	3.3
129.10254	10.2
135.08026	3.9
136.07622	7.1
137.05969	7.9
137.07838	3.5
138.09944	3.8
139.03929	6.2
145.06441	4.5
145.10077	4.1
146.06013	24.0
147.06367	9.0
147.08073	9.7
148.11179	29.4
149.06007	10.3
155.08183	6.1
161.05998	5.6
163.07565	11.6
165.09079	18.2
177.05774	3.2
181.08574	8.5
183.10098	4.9
191.07042	7.9
193.08644	23.4
197.04529	4.4
209.08012	15.6
211.09657	14.8
219.06642	4.3
225.07643	4.0
227.09128	5.4
237.07553	11.3
251.09236	4.2
255.08655	97.1
273.09702	9.2
279.43011	3.6
291.10083	4.4
322.24222	3.7
323.09268	4.0
323.12793	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	321.9929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30431	0.2
56.96560	0.5
58.90571	0.2
63.63384	0.2
69.96194	0.2
71.95280	0.5
73.23309	0.2
98.97587	4.1
101.00891	1.2
116.98614	1.9
119.01140	0.3
119.01926	2.1
122.97834	0.3
123.98650	0.3
134.99748	0.4
137.02968	0.2
140.98810	1.1
141.64442	0.2
141.99686	0.2
158.99892	3.1
164.56584	0.2
177.00963	10.0
178.01053	0.5
182.99832	3.1
196.94588	0.4
201.00941	11.5
202.01031	0.4
202.93529	0.2
212.92329	0.2
216.98808	0.2
219.02014	100.0
220.02144	3.7
220.94603	0.7
221.02452	0.7
224.02527	0.4
232.93057	0.2
234.99879	0.2
236.99574	0.6
237.03252	0.3
238.91872	0.2
238.95572	4.0
242.03609	4.1
254.93451	0.3
256.93243	0.5
256.96637	7.7
257.96823	0.5
258.99786	0.6
260.00134	0.4
261.03140	0.5
261.97147	0.4
262.95465	0.4
272.94458	0.4
274.94189	0.8
274.97696	1.4
276.20541	0.2
277.00742	0.5
279.98337	1.1
280.96625	1.6
282.99951	0.3
292.95364	0.2
296.94623	0.2
298.97690	36.5
299.18808	0.4
299.97885	1.1
303.98175	0.3
304.91861	0.2
307.93094	0.8
309.96106	0.4
310.43375	0.3
316.93430	0.7
316.95761	0.3
316.98792	0.4
317.43375	0.3
317.95081	0.2
319.40439	0.3
319.43747	1.5
319.93756	0.5
321.99246	3.2
328.44308	0.8
328.94107	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2426
Annotation	2alpha,9beta-Dihydroxy-3beta,8beta-oxido-1(15)-trinervitene
Peak:m/z	Relative Intensity
55.01860	1.4
55.05292	0.9
55.05513	8.3
57.07062	4.5
57.42186	0.9
67.05516	7.1
69.06734	1.0
69.07059	6.6
71.04996	1.3
71.08620	2.7
71.61033	0.9
72.08152	6.2
79.05505	4.7
81.07062	12.6
83.08604	2.7
84.08152	1.9
85.06536	2.0
91.05452	3.5
93.07033	5.9
95.04980	1.2
95.08608	11.4
97.06505	1.4
97.10166	2.5
98.20736	2.2
99.08060	1.1
105.07013	3.5
107.08600	6.1
109.05819	1.2
109.06525	17.4
109.10149	3.5
111.08102	2.4
116.33498	1.0
117.07060	1.0
118.06563	2.1
119.08598	3.1
121.06474	1.2
121.10160	4.9
122.07249	1.5
123.08072	54.3
123.11691	1.4
131.08531	1.9
133.10117	2.1
135.08052	6.6
135.11690	2.9
136.08734	1.2
137.09613	2.9
139.11147	1.4
145.10135	1.5
146.06004	1.8
147.08134	0.9
147.11688	1.2
148.11169	1.4
149.09616	1.6
156.13623	1.1
159.11707	1.2
161.13158	1.5
179.14319	63.7
193.15897	1.2
197.17764	1.0
209.37242	1.1
265.18005	11.8
303.23148	4.6
321.24246	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	321.0947
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62518	6.6
69.41614	42.0
92.01590	5.7
94.77187	5.9
98.97617	8.4
148.11180	5.7
260.95822	5.1
321.09045	28.4
321.11517	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	321.0949
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57102	1.8
56.96564	8.6
61.02901	2.5
69.77992	9.2
70.06586	2.8
70.98115	3.5
70.99844	5.2
71.89554	2.1
73.01389	2.3
82.04924	2.1
82.50129	1.7
82.99842	16.6
84.96046	2.5
85.01406	2.1
85.02911	2.8
85.68898	1.8
91.02452	3.1
94.99831	2.8
97.01402	7.1
98.97594	16.5
101.00883	100.0
102.00983	3.0
103.00643	4.4
103.02464	3.5
110.97565	2.1
112.99139	2.6
113.00874	29.4
115.02429	30.0
117.03992	2.8
119.01925	82.7
126.98777	2.7
127.02431	4.8
129.03990	9.7
131.01913	35.5
133.03474	42.9
135.04990	4.3
137.00873	5.0
137.02969	5.5
139.02461	1.7
140.98633	2.3
141.03951	2.0
143.01903	29.2
144.99802	4.6
145.03464	9.4
147.01323	2.3
147.05002	4.3
149.02936	5.6
151.04520	4.5
155.01907	15.0
157.03482	6.0
159.05090	12.7
161.02985	22.6
163.04295	1.6
167.01781	2.1
168.99823	27.2
171.01389	13.4
171.05046	13.2
173.02986	27.5
173.06548	4.4
175.02785	2.8
175.04512	4.0
177.00774	2.1
177.02463	3.9
177.04384	2.0
177.06067	5.5
185.02948	6.0
187.00873	36.2
189.02444	19.8
189.03996	3.2
189.06096	6.1
191.04031	20.5
196.99356	15.3
199.00807	3.9
201.00787	2.7
201.02434	10.8
201.04144	2.9
201.06100	6.7
203.03941	10.5
205.01947	10.3
207.03481	2.0
213.06015	4.8
215.00388	44.0
217.01941	3.3
219.01656	3.8
219.03481	7.8
219.07207	6.4
220.30559	2.2
221.05061	12.4
229.01939	34.8
231.03500	5.7
231.07167	5.9
233.05084	27.3
243.07274	3.8
245.05153	4.3
247.03023	88.5
249.04630	4.0
261.04880	4.1
261.08182	23.3
265.04144	6.8
273.08380	2.4
279.05774	4.7
279.09219	32.8
289.04303	14.1
304.33456	1.8
321.06464	5.3
321.09964	58.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	7.5
66.93520	2.8
71.47869	2.9
73.01418	5.5
77.92588	2.5
82.99847	17.8
84.08102	4.1
97.01382	4.0
98.97583	23.7
101.00893	100.0
103.02440	3.2
105.03960	3.0
113.00864	31.7
115.02448	30.8
117.03978	3.4
119.01933	80.5
126.98737	3.8
129.04002	6.5
131.01923	35.7
133.03491	38.6
135.05077	3.7
137.02942	4.9
141.03975	4.0
141.30005	2.5
143.01906	22.9
143.93858	2.7
144.99747	4.5
145.03488	6.6
148.11374	2.9
149.02983	6.3
151.04556	3.7
155.01968	12.9
157.03468	7.1
158.99631	5.4
159.05077	8.6
161.02998	17.2
168.99843	23.9
171.01410	12.0
171.05084	9.4
173.02986	26.8
173.06487	3.6
175.04424	4.4
177.00800	5.6
177.02483	5.7
177.04454	5.3
177.06076	3.9
185.06534	2.9
187.00890	42.2
189.02477	18.7
189.06134	3.7
191.03966	14.3
196.99329	16.7
199.00966	3.3
201.02492	6.7
201.06087	4.5
203.03973	8.4
205.01956	9.1
208.77013	3.2
211.99098	2.8
215.00369	49.3
218.03596	3.4
219.01714	9.6
219.03593	7.4
221.05089	7.6
223.02795	10.7
229.01953	38.4
231.03506	7.1
233.01598	3.6
233.05107	28.1
237.02783	6.0
247.02995	93.0
248.03514	3.3
249.04448	7.9
261.04749	4.0
261.08243	13.4
265.04037	7.0
279.06006	5.3
279.09332	20.5
289.03992	12.4
299.96146	3.3
321.06613	11.9
321.09979	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.4
56.45830	0.3
57.03445	0.7
58.86075	0.3
60.04496	0.6
67.05502	0.7
68.11539	0.3
69.07069	0.6
69.13435	3.9
70.06598	3.2
71.04996	0.4
72.08161	1.6
74.06081	0.5
79.05515	0.5
81.07079	0.5
84.04520	0.5
84.08139	2.2
86.09713	3.2
87.10027	0.4
91.05496	0.9
95.04951	0.4
96.08115	0.5
97.02912	0.3
109.06511	0.5
110.07188	0.7
119.04937	0.4
119.08620	0.4
120.08102	1.6
124.07581	0.6
129.10266	0.8
135.04427	0.6
136.07567	1.2
138.05518	0.4
139.11218	0.4
141.31375	0.4
157.01082	2.2
157.07590	0.5
160.05974	0.5
163.03932	1.9
167.07339	0.7
169.07629	0.7
170.08366	0.6
171.09207	2.1
173.09354	0.5
174.09157	1.4
177.05403	0.4
181.07678	0.4
182.09718	1.0
183.09198	1.3
184.09935	1.7
185.02095	1.8
193.07562	0.6
194.08434	0.8
194.20807	0.4
197.07124	1.0
198.07893	1.5
199.08662	1.7
199.12312	2.0
200.10756	1.3
202.10814	0.8
205.07399	0.4
209.10760	1.1
210.09209	1.0
210.11533	1.0
211.08652	2.3
212.09453	5.3
213.10242	3.7
214.08727	0.5
216.12286	2.3
221.02972	5.9
221.04933	0.7
225.10245	3.8
226.07550	0.4
226.11006	10.0
227.08289	0.7
227.11797	12.8
228.10242	4.7
229.06555	0.9
229.09691	0.9
239.03955	0.6
239.08229	0.4
239.11906	0.6
240.08923	0.7
241.09698	0.9
245.05952	0.9
245.12822	1.0
247.04504	0.9
247.07451	0.5
253.09734	0.4
254.10565	2.3
255.11299	8.7
257.09280	0.6
259.11035	0.6
263.07065	0.6
270.10007	19.4
271.10767	2.6
272.11560	15.0
273.05600	0.7
273.12308	9.2
274.10696	0.5
275.04099	0.5
283.10754	9.8
291.06567	0.6
301.11835	100.0
302.12213	2.3
319.05948	3.3
319.12878	29.6
320.13446	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0791
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96484	1.6
61.02846	0.7
70.06533	0.7
70.70597	0.4
71.47928	0.6
72.08078	0.5
73.02850	0.4
82.99789	0.6
84.08105	0.5
85.02859	0.4
89.03849	0.7
98.97499	0.4
101.00857	3.3
103.00513	0.5
110.97533	0.8
113.00796	0.5
115.02365	1.1
117.03284	1.5
119.01908	2.6
128.98569	0.8
131.01816	1.3
133.03458	2.0
135.04402	1.9
143.01833	1.7
145.02647	0.6
145.03557	0.7
147.04927	0.4
149.02910	1.4
151.09386	0.5
155.01817	0.9
156.99846	0.6
157.01071	9.2
157.03433	0.6
157.04616	0.8
161.02904	1.6
163.03905	6.9
164.04155	0.5
173.02940	2.2
177.04042	0.6
185.00763	1.1
185.02127	6.7
190.98689	0.6
191.03938	0.7
193.03482	0.9
199.00819	0.6
203.01891	9.2
203.03833	0.9
208.99777	0.5
213.03419	0.6
215.00407	0.7
217.02016	0.9
221.02959	100.0
222.03111	2.9
227.65952	0.4
229.03444	1.2
231.03441	0.6
239.03993	9.6
244.04576	0.7
245.01634	0.5
247.04546	22.7
248.04659	0.8
248.38271	0.4
257.02878	2.3
257.05295	0.5
258.11780	0.4
259.03104	1.1
265.05450	1.0
270.06030	0.4
273.02502	1.5
275.03986	7.6
277.01825	0.8
287.02554	1.6
291.03500	0.8
293.05139	0.8
295.02832	0.6
301.01852	5.2
319.02963	9.0
319.10153	15.4
319.13220	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0791
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96484	1.6
61.02846	0.7
70.06533	0.7
70.70597	0.4
71.47928	0.6
72.08078	0.5
73.02850	0.4
82.99789	0.6
84.08105	0.5
85.02859	0.4
89.03849	0.7
98.97499	0.4
101.00857	3.3
103.00513	0.5
110.97533	0.8
113.00796	0.5
115.02365	1.1
117.03284	1.5
119.01908	2.6
128.98569	0.8
131.01816	1.3
133.03458	2.0
135.04402	1.9
143.01833	1.7
145.02647	0.6
145.03557	0.7
147.04927	0.4
149.02910	1.4
151.09386	0.5
155.01817	0.9
156.99846	0.6
157.01071	9.2
157.03433	0.6
157.04616	0.8
161.02904	1.6
163.03905	6.9
164.04155	0.5
173.02940	2.2
177.04042	0.6
185.00763	1.1
185.02127	6.7
190.98689	0.6
191.03938	0.7
193.03482	0.9
199.00819	0.6
203.01891	9.2
203.03833	0.9
208.99777	0.5
213.03419	0.6
215.00407	0.7
217.02016	0.9
221.02959	100.0
222.03111	2.9
227.65952	0.4
229.03444	1.2
231.03441	0.6
239.03993	9.6
244.04576	0.7
245.01634	0.5
247.04546	22.7
248.04659	0.8
248.38271	0.4
257.02878	2.3
257.05295	0.5
258.11780	0.4
259.03104	1.1
265.05450	1.0
270.06030	0.4
273.02502	1.5
275.03986	7.6
277.01825	0.8
287.02554	1.6
291.03500	0.8
293.05139	0.8
295.02832	0.6
301.01852	5.2
319.02963	9.0
319.10153	15.4
319.13220	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0426
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66057	0.8
55.05507	1.1
56.05037	1.2
57.03438	1.3
64.17194	0.9
66.00228	0.9
66.05037	0.9
67.05487	1.9
68.55140	0.8
69.03424	2.0
69.07056	3.0
70.01136	3.5
70.06594	7.6
71.04991	1.0
72.08162	4.3
79.05502	2.0
81.03408	1.2
81.07046	1.1
82.06568	1.0
83.08623	1.0
84.04499	2.0
84.08146	5.0
85.02907	2.2
86.09703	6.0
87.09999	1.1
89.03908	3.5
91.05461	2.0
93.07064	1.0
95.08622	1.2
97.02904	1.0
97.06510	1.1
103.05476	1.3
107.04952	1.4
108.08158	0.8
110.07180	2.0
111.00579	1.0
117.03366	6.2
120.08104	2.7
127.03878	0.9
129.10220	2.1
130.06467	1.4
135.04428	9.7
136.07581	2.4
138.05516	1.5
138.09187	2.0
139.09479	2.2
139.11180	1.1
145.02853	4.7
151.03905	1.1
153.06793	1.0
156.10194	6.1
157.01089	58.5
157.08713	1.4
157.10558	9.2
163.03909	36.9
164.07080	1.0
166.05031	1.6
169.07602	1.3
171.09126	1.0
174.13132	1.3
177.05536	1.3
184.09973	2.2
185.02112	47.7
189.06927	1.4
198.07872	1.6
199.08633	2.6
199.12285	1.4
202.10799	2.3
203.01773	1.2
203.03397	1.3
210.09242	1.0
211.08582	2.6
212.09497	4.4
213.10240	5.8
216.12352	2.9
217.06705	1.5
221.02962	26.1
221.06151	1.1
225.10231	3.7
226.11012	10.6
227.11803	12.6
228.10240	4.7
229.06442	1.4
235.07698	1.2
238.05850	1.2
238.08652	1.6
239.03912	2.3
240.08940	1.6
241.09702	3.1
245.06027	4.7
247.04533	5.5
254.10448	2.2
255.11366	7.9
256.09384	0.9
259.10977	1.8
263.07098	2.1
270.10031	16.7
271.10699	2.5
272.11554	12.7
273.05493	3.1
273.12332	12.4
275.03937	2.6
283.10843	11.1
284.09317	1.1
291.06473	2.7
301.11844	100.0
319.03629	5.2
319.05997	8.4
319.12820	27.7
319.16174	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2026
Annotation	Leu-Val-Ser
Peak:m/z	Relative Intensity
53.03931	0.8
55.05523	4.7
56.05031	1.3
60.04227	1.4
60.04527	22.4
67.05499	0.8
69.03417	0.7
69.07076	5.3
69.98976	2.9
70.02951	1.1
70.06598	5.7
71.49277	0.7
72.08159	68.6
73.06544	1.4
74.06071	0.6
79.05476	0.7
81.03379	1.1
84.08156	3.9
85.02869	0.6
86.09709	26.1
87.05593	15.9
88.03978	0.7
91.05462	2.4
93.07056	0.7
94.06575	0.9
95.08604	0.9
96.08131	2.7
97.02893	2.4
99.04430	0.7
100.07608	1.0
110.07137	1.0
114.09174	18.0
114.09982	0.9
118.06580	1.1
119.04983	0.8
119.07282	0.9
120.08129	3.4
121.08459	0.7
123.04436	0.9
128.10739	1.0
128.57669	0.7
129.09126	1.9
129.10260	2.2
130.06563	1.0
131.39789	0.7
132.10208	6.2
136.07593	1.6
136.28192	0.6
138.05521	1.2
138.09145	1.1
141.10213	0.7
145.64514	0.7
156.06546	0.9
156.10208	2.7
157.08586	5.2
159.11301	100.0
160.11629	1.1
173.12869	9.2
182.59781	0.7
187.10785	30.6
188.80693	0.6
201.12305	3.4
205.11691	0.8
219.13332	0.8
221.03018	0.8
227.11809	0.9
231.17062	1.6
241.08594	1.1
258.09683	0.8
270.10086	0.8
272.11340	1.1
283.09738	0.8
288.10773	0.7
301.11838	5.4
318.11481	3.2
319.12869	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0302
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	1.1
57.03436	0.5
58.99881	0.2
60.04538	0.4
61.02930	0.3
65.10020	0.2
69.03442	0.7
69.81647	0.9
70.06612	0.7
70.98123	0.3
70.99883	0.8
71.05012	0.2
72.08175	0.9
73.01462	0.3
73.02955	0.5
81.03436	0.3
82.44664	0.2
82.99878	0.9
84.04523	0.2
84.06623	0.2
84.08163	1.0
84.28930	0.2
85.01437	0.3
85.02893	1.2
86.09727	0.3
92.91311	0.2
93.04522	0.2
97.02931	0.8
98.21507	0.3
98.97581	1.5
101.00894	4.7
103.02420	0.2
110.07191	1.0
110.97610	0.3
113.00906	0.7
115.02447	1.2
116.98717	0.3
117.03360	0.3
119.01939	4.1
119.04993	0.3
121.06481	0.2
122.06867	0.3
127.02459	0.3
127.03925	0.3
128.98660	0.5
129.10303	0.5
131.01918	1.0
133.03473	3.5
135.04457	0.3
136.07664	0.2
137.06027	0.7
139.02489	0.2
140.98656	0.2
143.01871	1.8
144.98102	0.2
145.01698	0.4
145.03496	0.6
147.04362	0.4
149.02913	0.4
150.15059	0.3
151.04544	0.6
155.01917	1.0
156.07640	0.2
156.99873	0.7
157.03395	0.3
158.99754	0.3
161.02974	2.0
163.03850	1.1
164.04277	0.5
165.04234	0.2
171.01360	1.8
171.05057	0.3
173.02997	1.1
175.00883	4.1
175.02435	0.5
177.00745	0.4
177.02415	0.2
183.76915	0.2
185.00771	2.0
185.02382	0.2
185.02913	0.2
187.08237	0.7
189.02434	2.8
189.12325	0.2
191.04048	0.3
193.01932	0.4
193.03526	1.3
195.04976	0.2
199.00929	1.6
199.04608	0.3
199.08269	0.6
203.01904	10.1
203.03815	0.6
207.03340	0.2
216.99907	0.6
217.01956	9.1
217.04021	0.5
217.09207	0.4
218.02151	0.3
219.01782	0.4
221.02968	100.0
222.03122	1.9
223.03255	0.3
229.03535	1.6
229.05611	0.4
231.03514	1.2
235.01041	0.4
235.03027	3.1
238.06723	0.3
239.04021	7.5
240.04059	0.4
244.04588	0.8
245.05081	0.6
247.04546	25.6
248.04762	0.8
249.04659	0.7
257.02869	3.4
257.05139	0.3
259.02948	1.8
263.03900	0.4
265.05627	1.0
271.10471	0.2
273.02448	1.2
275.04004	8.7
277.01862	0.5
277.04233	3.4
278.04181	0.3
283.01013	0.3
289.11310	0.4
291.03525	0.3
292.35910	0.2
293.05090	1.2
295.03110	0.7
300.05560	0.2
301.01907	4.7
302.02576	0.3
319.02942	9.6
319.13535	4.1
320.03140	0.4
337.04013	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92619	0.8
52.62447	0.7
56.05035	1.2
57.03450	1.2
61.02951	1.7
68.90150	0.7
69.03432	3.5
69.07059	0.9
70.06600	1.9
70.46478	2.2
70.46828	0.9
71.04978	1.0
72.08154	2.8
73.02898	0.9
81.03425	1.9
84.04511	13.7
84.08141	1.7
85.02445	1.3
85.02914	17.9
86.09708	100.0
91.05508	1.2
93.07084	1.3
97.02901	5.4
109.02887	1.5
121.06511	15.0
127.03920	3.3
130.05017	3.0
138.09125	1.3
141.06755	0.8
145.04956	8.6
152.10741	1.2
156.10207	1.5
159.07716	1.3
163.03882	3.0
163.05998	1.3
180.08693	3.3
187.07492	2.2
189.12364	20.0
189.13991	1.6
197.12892	1.3
201.12248	1.0
205.08560	1.5
221.03015	4.2
223.99178	0.8
243.13431	8.1
247.04584	0.8
255.13541	1.1
301.13748	0.7
318.16519	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13103	0.4
55.05501	1.0
57.03432	1.1
58.55518	0.4
61.02921	1.5
62.48066	0.3
67.05493	0.4
69.03433	3.6
69.07069	1.7
70.06586	1.1
71.66516	0.4
72.08149	0.6
73.02913	0.6
74.06096	0.4
81.03414	1.6
82.06573	0.9
83.04961	0.4
84.08141	1.0
85.02902	7.1
86.09704	1.1
86.84634	0.3
87.04491	0.4
91.05447	0.6
93.07058	1.8
95.08598	1.6
96.04488	3.6
96.08137	2.5
97.02872	2.4
97.05277	2.4
97.06524	1.4
99.04514	0.4
99.67221	0.3
100.07619	1.2
103.05472	0.4
108.08120	0.8
109.02895	1.4
109.06514	0.5
110.06042	6.4
110.09682	3.4
111.08084	1.0
120.08099	1.3
121.06523	2.7
125.08393	0.7
126.09160	8.9
127.03922	1.8
138.09146	22.3
139.07547	1.5
145.04933	0.9
152.10799	0.4
156.10207	100.0
157.08647	0.8
168.10257	0.7
180.10187	1.0
198.11215	0.8
221.03021	0.6
222.11249	0.4
237.05521	0.5
255.06516	0.4
318.15460	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.0
55.01871	4.0
56.05024	1.7
56.96534	1.9
57.03424	6.5
60.04518	2.1
61.02937	10.0
65.03944	1.9
67.05497	6.4
69.03436	17.7
69.07062	5.3
70.06598	27.5
71.04383	3.4
71.04995	3.1
71.39435	1.9
72.08150	7.9
73.02904	3.9
74.06083	3.5
81.03425	8.5
82.06560	2.3
84.04488	3.5
84.08156	32.8
85.02911	81.4
85.47507	1.7
86.09704	11.4
91.03961	4.9
91.05490	6.9
93.07041	7.0
95.04934	2.1
95.08578	1.7
97.02887	19.4
99.04492	2.2
102.05562	2.8
103.03974	2.0
103.05447	5.1
105.07040	3.2
107.04933	2.5
109.02869	6.6
110.06079	2.8
110.07149	5.2
111.04439	3.9
115.05461	3.0
116.07087	3.5
116.36264	2.1
117.07032	4.1
119.04955	4.0
120.08081	5.0
120.59074	1.8
121.06510	100.0
122.06889	2.0
123.04446	26.0
127.03941	20.2
129.10239	4.9
130.06529	7.2
132.04433	2.2
133.06467	5.6
135.04445	2.5
135.06787	5.1
136.07617	10.9
138.05507	4.5
138.09142	12.3
139.03915	14.1
145.03934	2.6
145.04967	30.5
145.06473	8.3
146.05995	5.4
149.70647	1.9
151.07483	4.5
155.08200	6.7
156.10197	4.8
157.01047	3.1
157.07607	10.5
158.05968	4.6
159.07993	3.1
161.06023	16.6
163.03900	3.8
163.06042	4.9
167.56380	2.1
174.05519	2.3
175.08701	3.4
175.17174	1.7
179.07018	2.2
181.04953	4.4
185.07095	2.0
187.07573	18.8
201.12358	2.9
205.08635	8.2
209.09656	4.6
219.08093	2.9
221.02986	4.8
229.08687	4.4
237.09093	3.0
247.09691	5.0
255.10211	10.7
258.08771	2.0
265.08530	3.8
283.09656	17.6
288.10410	2.1
290.14969	23.2
295.04626	2.2
300.10092	5.1
300.13492	5.8
301.10706	13.7
318.11417	2.9
318.14511	5.7
318.29852	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12363	1.1
54.69611	1.0
55.05505	1.1
65.03619	1.1
65.03944	6.5
67.05502	1.6
69.03429	1.2
69.07059	1.2
69.93131	5.3
79.05502	1.1
81.07057	2.4
84.08143	2.0
91.05472	2.2
92.04993	7.4
93.07030	3.5
95.08585	1.9
95.31658	1.0
98.97559	1.5
103.37194	1.0
105.06997	3.4
107.08565	2.4
109.02905	1.2
109.06483	1.6
109.10128	1.8
117.06969	1.4
119.08599	3.1
120.04445	1.6
120.08096	1.1
121.10114	1.5
121.36646	1.0
122.09660	1.3
129.06946	1.2
131.08551	1.7
133.10110	1.6
135.11617	1.2
138.05516	17.0
138.07370	1.0
138.09155	8.9
147.08063	1.3
148.03920	5.6
150.09149	2.4
152.07095	15.3
157.10052	1.7
161.13127	1.5
161.63698	1.2
163.04993	2.0
166.05011	54.8
170.24820	1.1
178.04922	1.5
180.06592	15.1
183.11636	1.1
185.09697	1.1
186.11583	1.3
198.09221	1.3
200.09467	2.1
201.10252	1.4
201.13884	1.5
211.12340	2.1
212.10695	5.0
214.12329	2.8
228.08786	1.1
229.09689	2.5
229.13405	4.2
230.11731	3.0
232.06599	1.1
239.11763	3.4
240.10181	1.7
241.13394	1.6
242.11781	3.7
243.11295	1.4
246.14844	2.4
256.08447	3.0
257.09180	2.9
257.12836	16.4
259.12036	1.6
260.12778	3.7
267.11224	3.1
268.09763	1.9
272.08743	1.7
272.11557	25.0
273.21988	1.5
274.09503	2.5
274.14322	1.5
275.13785	1.2
285.09143	1.8
285.12332	29.6
288.11130	5.1
289.15445	4.9
303.13440	19.0
317.14960	100.0
318.15283	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1235
Annotation	Glochidionolactone E
Peak:m/z	Relative Intensity
53.03945	9.2
55.01871	6.4
55.05525	4.0
56.05043	5.0
56.87865	2.2
56.96560	4.0
57.03431	6.4
60.04525	2.8
61.02920	6.7
65.03936	6.7
67.05493	8.8
69.03440	25.5
69.06729	4.6
69.07072	45.8
70.06256	3.5
70.06601	35.5
71.04987	8.4
71.06924	5.3
71.48103	3.8
72.08166	17.2
72.93761	2.9
79.05483	7.0
81.03426	25.0
81.07073	17.2
83.04976	2.3
84.04504	4.7
84.08148	36.9
85.02906	15.2
85.06525	3.8
86.09701	24.9
87.00822	2.4
87.08092	5.5
88.03989	3.0
89.03870	2.6
91.05481	16.0
93.07059	3.4
94.06586	3.1
95.04978	20.5
95.08604	3.5
97.02901	7.1
98.97635	3.2
99.04470	14.6
102.05538	3.3
103.05450	4.2
105.03421	3.9
105.83112	2.5
107.04951	9.3
109.02882	11.0
109.06541	16.5
109.10147	8.3
110.03646	3.0
110.07174	3.4
111.04463	5.9
115.07589	15.8
116.07119	3.7
119.04977	6.1
120.08166	3.5
121.06504	8.2
122.03603	3.0
123.04430	23.0
125.02368	7.1
127.03880	14.0
129.10254	20.6
130.05014	3.6
130.06516	18.1
130.08588	3.8
132.04419	3.8
133.02855	10.9
134.05966	5.0
135.04413	6.8
136.07628	5.9
137.04993	4.8
137.05988	41.0
137.08180	2.4
137.09561	3.0
138.05481	2.8
138.39287	2.2
140.04694	75.6
143.03372	3.4
145.05042	3.9
146.06053	3.8
147.04420	6.4
147.11267	2.6
149.05952	4.3
151.07600	3.6
152.04654	3.3
153.05440	4.7
155.03429	3.2
155.07042	100.0
156.07814	2.7
158.06070	7.3
163.03848	6.7
164.04271	2.4
165.05510	16.3
167.07076	2.7
173.08052	5.9
175.08817	2.6
179.06996	9.2
180.04228	13.4
181.04967	44.8
185.04247	3.3
186.09166	2.3
188.06873	2.7
193.04970	25.1
194.97472	4.4
195.06602	8.0
197.08136	7.6
199.08742	4.3
200.13959	4.6
207.06569	21.6
213.03793	5.2
213.10262	3.1
225.07628	21.2
229.09669	5.9
230.15662	4.2
231.05008	8.6
237.06586	10.2
240.07741	2.8
243.08644	25.5
243.11142	5.5
253.09848	3.0
257.04355	3.7
257.09225	10.3
258.08701	3.9
271.10800	7.6
275.99521	3.3
282.08679	5.0
287.10202	10.5
289.11844	4.8
294.00528	8.1
295.83701	2.7
299.10440	20.8
300.09799	19.4
317.02762	4.3
317.06412	5.1
317.11697	74.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	20.3
59.07291	5.6
61.02933	91.3
62.03232	6.6
63.84320	7.0
66.18552	6.5
69.03423	23.5
69.71686	5.9
69.73905	35.5
70.06586	13.9
72.08145	12.9
73.02917	23.6
76.07491	6.1
81.03423	12.5
82.99845	12.5
84.04489	9.2
84.08142	50.4
85.02908	56.3
86.09726	7.1
90.98631	5.9
97.02901	26.8
98.97604	7.9
101.00890	76.5
113.00885	31.8
115.02445	27.0
119.01933	100.0
119.02721	12.4
121.83672	6.8
127.02470	8.5
127.03909	25.8
128.98555	12.4
129.03967	12.1
129.10239	24.2
130.08675	8.0
131.01920	68.6
133.03470	22.5
135.04405	13.3
137.02930	10.0
139.02452	6.3
143.01903	62.1
144.99854	13.8
145.03473	26.3
145.04950	10.5
146.03218	11.3
146.05023	26.3
146.99557	17.8
147.01390	13.1
147.05045	13.7
149.02917	12.6
149.34125	6.1
155.01892	71.8
155.05521	15.8
157.03514	19.0
159.01443	12.1
159.05093	5.9
160.03030	7.5
161.02954	75.2
163.03877	60.8
164.04266	38.7
167.02014	7.6
168.99855	18.3
169.03438	9.2
171.01463	12.6
172.99190	8.2
173.02960	96.2
174.93925	6.3
174.99042	9.7
175.03503	17.3
177.02547	9.2
181.43901	6.7
184.04048	6.2
185.02989	28.3
187.00923	20.9
187.04576	9.4
188.02466	11.9
189.00713	9.9
189.02353	13.5
189.06145	12.7
192.02420	6.0
193.03516	11.6
194.03725	19.4
196.04128	10.6
196.99332	14.9
197.03026	18.0
201.02396	15.3
201.06122	12.0
203.04010	15.0
205.01958	6.8
205.04492	25.2
207.01585	13.1
207.03487	7.3
209.02994	13.2
210.03120	20.9
213.02376	7.1
214.04724	7.4
214.98578	7.4
215.00343	34.5
215.04044	14.0
217.01894	10.2
219.03516	10.1
221.03047	12.4
221.05118	27.0
222.03218	43.7
227.00465	11.9
227.04129	11.7
227.07608	14.5
239.03972	11.2
239.06155	19.3
240.04230	19.4
245.01483	7.1
245.05081	11.2
247.03035	8.6
251.02557	8.2
257.01489	25.1
257.05222	12.9
258.05295	52.8
262.05252	6.0
263.05823	25.6
275.02612	18.7
276.04233	24.2
281.06866	13.0
285.00827	8.5
287.02643	6.9
289.04147	17.8
291.09229	28.0
294.05170	9.8
309.10312	12.5
312.06317	21.7
315.02005	7.0
317.03650	21.7
317.07349	8.2
317.11984	24.1
317.21982	10.3
335.08038	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	317.0659
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
55.05499	0.4
60.01263	0.2
62.84645	0.2
65.03928	0.7
67.05499	0.5
68.99776	0.5
69.14948	1.1
69.15364	0.8
70.06590	0.2
71.04978	0.2
79.05482	0.3
81.03380	0.2
81.07052	0.7
83.04974	0.2
85.38424	0.2
86.09700	0.4
91.05484	0.5
92.02151	0.3
92.02640	3.3
93.03413	2.9
93.07031	0.6
95.04971	0.5
95.08600	0.8
103.05444	0.3
105.07025	0.8
107.08601	0.5
109.02888	0.3
109.06500	0.3
111.00780	0.6
115.05456	0.3
117.07034	0.2
118.15026	0.2
119.08595	0.4
121.02872	2.9
121.06464	0.2
123.04445	0.3
124.05231	0.2
125.09642	0.4
126.03152	1.4
131.04915	0.5
133.02780	0.3
133.10141	0.3
135.04453	0.3
135.11656	0.3
137.02321	0.6
137.05959	1.4
139.03905	0.9
147.04381	0.3
149.02399	0.2
150.03108	0.2
151.03926	1.6
151.05038	0.3
151.07587	0.3
152.01073	0.3
153.01833	19.1
161.05981	0.3
161.09589	0.3
163.03928	0.5
163.07516	0.2
165.01814	1.1
165.05385	0.3
166.02568	0.3
167.07040	0.9
171.11786	0.3
173.06006	0.4
177.05513	0.6
179.03333	0.2
183.02878	0.3
183.04398	0.3
195.08118	0.3
200.04686	0.8
201.05487	1.8
203.03391	1.7
204.04155	0.3
217.04968	3.0
218.05756	1.2
219.02876	0.5
219.06430	0.2
221.35823	0.2
225.12862	0.2
228.04189	4.3
229.04968	5.6
229.12787	0.2
231.02957	1.1
232.03493	0.2
234.99008	0.2
243.06566	0.5
245.04474	4.2
246.02872	0.3
246.05238	3.5
257.04446	3.9
260.03116	0.7
261.07620	0.7
271.06052	0.7
273.01013	0.3
273.03934	3.5
274.04733	7.6
284.03229	1.0
285.03955	5.4
286.04669	0.2
287.01797	0.2
287.12827	0.4
288.06302	0.3
299.20227	0.4
301.03497	0.5
302.04233	23.0
303.04416	0.4
310.68994	0.2
317.06564	100.0
317.20819	1.0
318.06961	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88808	0.2
50.96514	0.2
61.42848	0.2
65.03931	0.8
67.05505	0.3
68.99797	0.6
69.03426	0.4
69.35423	1.6
70.06606	0.2
70.77829	0.2
77.03946	0.2
79.05505	0.3
80.13540	0.2
81.07098	0.2
83.97609	0.2
84.08143	0.3
85.02895	0.2
86.09728	0.2
91.05479	0.4
92.02634	3.2
93.03413	3.0
94.04181	0.2
95.04969	0.2
95.08588	0.4
105.03450	0.2
105.07071	0.4
107.04955	0.2
107.08562	0.3
109.10110	0.2
111.00838	0.5
119.08580	0.3
120.02125	0.2
121.02871	2.4
121.10156	0.4
121.98512	0.2
122.03658	0.3
123.04408	0.3
125.09628	0.3
126.03127	1.2
129.10243	0.3
133.10100	0.3
137.02354	0.6
137.05995	0.2
139.03902	1.0
145.10046	0.2
150.03069	0.2
151.03947	1.5
151.05054	0.3
152.01027	0.3
153.01837	19.0
155.04955	0.4
161.05968	0.3
161.09573	0.3
163.03902	0.4
165.01830	1.4
166.02628	0.4
173.06030	0.6
177.05525	0.6
179.03410	0.3
183.03000	0.3
183.04443	0.3
187.03958	0.3
189.09081	0.2
190.06276	0.4
199.14874	0.2
200.04683	0.7
201.05496	2.2
203.03409	1.9
217.04961	2.7
218.05717	1.4
219.02925	0.7
221.51184	0.2
228.04161	3.8
229.04982	5.4
231.02892	1.3
232.03580	0.3
243.06438	0.4
245.04475	4.1
246.05237	4.0
256.03641	0.9
257.04486	3.5
260.03235	0.7
261.07538	0.5
271.06030	0.7
273.03931	4.0
274.04736	7.6
284.03198	1.0
285.03958	5.7
286.04544	0.3
288.06284	0.2
301.03445	0.5
302.04233	24.0
303.04648	0.3
317.06577	100.0
318.06931	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.2
57.07081	12.9
58.06585	0.7
60.04531	9.8
62.06073	0.7
67.05506	1.0
69.07078	0.9
70.06599	16.6
70.10708	1.4
71.08641	7.4
72.08173	0.7
76.45525	0.5
79.05443	0.6
81.07043	1.4
85.10192	4.1
88.07103	1.1
88.07636	22.6
91.05458	0.5
93.07042	0.7
95.08607	0.9
97.10146	0.5
102.09169	1.0
106.08676	29.5
254.28413	1.0
280.26382	1.4
288.20526	0.6
298.27386	1.1
298.30588	0.9
316.28778	5.0
316.32098	100.0
317.32410	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0657
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23559	0.2
55.05515	0.2
65.03926	1.0
67.05500	0.4
68.99799	0.7
69.03427	0.4
69.07059	0.2
69.26350	2.1
70.06580	0.6
79.05457	0.3
81.03413	0.4
81.07052	0.8
83.04967	0.3
84.04516	1.4
84.08131	0.5
85.06535	0.2
86.09693	0.3
91.05472	0.8
92.02623	2.8
93.03406	2.8
93.07031	0.6
95.04943	0.7
95.08619	0.4
97.06531	0.2
102.12804	0.3
105.03436	0.2
105.07038	0.6
107.04949	0.4
107.08606	0.5
109.02884	0.4
109.06548	0.4
109.10129	0.2
111.00806	0.3
112.07632	0.3
116.06368	0.2
117.06987	0.4
119.08617	0.2
120.08109	0.2
121.02882	2.0
121.10217	0.4
122.03674	0.3
123.08072	0.3
125.09583	0.4
126.03113	0.9
127.03928	0.2
129.07082	0.2
130.05006	0.4
131.04921	0.3
131.08563	0.3
133.02856	0.3
133.10080	0.3
135.08093	0.3
137.02344	0.5
139.03923	1.1
145.06470	0.3
145.10069	0.3
147.08025	0.3
149.06065	0.3
149.09645	0.4
151.03899	1.2
151.19672	0.2
153.01839	16.4
157.10170	0.3
163.03870	0.4
165.01842	0.9
166.02621	0.4
168.13864	0.6
171.04471	0.2
173.05943	0.3
177.05458	0.4
179.03391	0.3
183.02916	0.3
183.04416	0.2
187.03842	0.3
187.14857	0.3
189.05440	0.4
189.09210	0.3
189.12813	0.2
200.04622	0.6
201.05458	2.5
201.10323	0.3
203.03372	1.7
217.04971	3.3
218.05592	1.0
219.02856	0.7
225.12794	0.3
228.04164	3.8
229.04974	6.3
231.02975	1.3
232.03770	0.4
243.06575	0.3
245.04478	3.8
246.05264	2.8
256.03687	0.6
257.04431	3.4
257.09143	0.3
259.02463	0.2
260.03217	0.8
261.07516	0.4
271.06000	0.6
273.03946	3.7
274.04730	7.2
284.03116	0.9
285.03952	6.5
287.01865	0.4
299.10220	0.3
299.19855	0.4
301.03271	0.3
302.04224	23.2
317.06570	100.0
317.21143	0.9
318.06909	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66586	0.5
55.01872	0.7
55.05510	0.5
56.05024	0.4
60.04526	0.7
67.05482	0.8
68.60188	0.5
69.02579	0.5
69.03422	0.8
69.07070	6.6
70.06596	5.9
71.47360	0.7
72.08154	1.9
73.73959	0.4
76.02192	0.6
76.04000	1.2
79.05510	1.1
81.07063	1.5
84.04499	0.7
84.08150	2.9
84.08559	0.5
86.09710	100.0
91.05482	1.2
93.07061	1.5
95.08614	1.2
99.07495	0.4
102.05509	0.5
105.07025	1.0
107.08591	1.3
109.10151	0.6
110.07191	0.8
119.08580	0.8
120.08120	2.1
121.10137	1.0
124.07623	0.5
125.02361	1.4
130.06541	1.9
131.08549	0.8
132.10208	5.2
133.10147	0.7
135.08072	0.6
137.02356	0.9
138.02704	0.7
138.09164	3.1
141.01907	0.5
149.09627	1.8
152.07019	0.7
157.07605	0.8
157.13370	41.8
159.09193	0.6
161.06123	0.5
165.09152	0.6
167.10649	0.7
177.09126	0.6
183.14966	0.6
185.12865	19.9
187.14731	0.8
195.10196	2.9
199.18057	0.6
203.13921	5.4
211.14555	0.6
245.18645	0.9
270.11472	2.4
271.14453	0.6
289.15323	0.5
298.20544	0.5
299.09647	1.5
301.64362	0.4
316.05341	8.3
316.11813	4.4
317.11444	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2233
Annotation	H-LEU-LEU-ALA-OH
Peak:m/z	Relative Intensity
54.29824	0.5
55.05524	0.6
56.05024	0.8
57.03436	0.6
58.06602	0.6
58.41381	0.5
63.51162	0.4
67.05504	1.2
69.03446	0.6
69.07066	0.7
70.06601	6.3
71.47813	0.5
72.08139	0.8
79.05515	0.6
81.03438	0.5
81.07066	1.2
82.58295	0.6
84.04505	1.2
84.08155	1.0
85.02911	1.6
86.06066	0.7
86.09711	100.0
87.04467	0.5
91.05492	1.3
93.07052	1.0
95.04963	0.7
95.08626	0.8
96.08115	0.8
98.06071	1.2
99.27034	0.5
103.05504	0.5
108.08132	1.1
109.02883	0.5
109.08402	0.5
110.07195	0.8
110.09691	1.0
118.06605	0.7
120.04462	0.8
120.08128	1.7
121.04828	0.8
122.19461	0.5
124.07642	0.9
127.03876	0.5
129.10248	0.6
130.06499	2.5
132.08075	1.4
132.10210	4.5
136.07562	1.6
137.02386	0.8
137.07970	1.1
138.09138	1.2
139.09509	0.7
146.06050	1.5
154.08656	1.5
155.08995	1.1
157.07619	0.9
157.13373	54.2
159.09224	1.0
162.05534	5.7
163.05878	5.8
164.07123	0.8
166.08643	1.8
167.09021	0.9
170.06044	0.8
183.15045	0.6
185.12865	22.8
188.07054	2.8
195.02892	2.4
196.03229	2.8
196.08557	0.5
203.08215	0.7
203.14034	0.6
205.09802	0.9
238.06537	0.6
245.18616	3.8
256.11624	0.7
265.25388	0.6
269.96796	0.5
270.12476	1.4
272.18594	3.8
298.12524	1.5
299.10571	0.6
299.13974	1.0
316.05371	3.9
316.13522	3.6
316.21371	1.1
317.11322	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.8
55.01865	2.5
55.05521	8.6
56.05038	19.6
56.37408	1.3
56.96571	19.1
58.99595	16.7
65.03931	4.6
67.04266	1.5
67.05507	22.3
68.05033	2.3
69.03426	2.1
69.07071	8.6
70.02950	2.6
70.06592	6.1
71.04996	5.0
71.06532	1.8
71.06876	2.4
72.08141	1.7
73.01133	9.8
74.00670	3.0
76.02237	8.3
76.33345	1.2
79.05503	23.9
79.05938	1.0
80.05016	3.1
81.03426	2.1
81.07066	30.9
82.06583	13.0
83.04990	3.0
83.07375	1.3
83.08625	3.8
84.08153	3.7
85.01154	9.3
85.06545	3.1
86.00655	23.9
86.09719	3.7
86.99061	8.7
87.02712	1.6
88.02238	9.7
88.03998	5.8
91.05492	25.2
93.07050	19.3
94.06574	5.8
95.04964	2.9
95.07339	1.7
95.08605	9.6
96.08150	3.0
97.01128	17.9
97.06511	2.7
99.02684	12.7
100.02220	1.8
105.00105	4.3
105.07040	15.8
107.04992	2.1
107.08595	11.4
109.06564	2.1
109.10175	5.4
110.09734	1.5
111.02665	6.0
112.90104	1.4
113.04211	3.4
117.07037	2.8
119.08590	8.8
120.01180	2.3
121.06555	3.0
121.10144	4.7
122.02721	8.3
123.02675	2.9
123.08100	2.4
125.04237	3.7
129.07047	5.1
131.01591	1.3
131.08575	9.9
132.01161	30.5
132.02115	2.2
133.10141	16.5
135.08005	1.5
135.11702	3.9
137.04214	2.3
137.06033	1.9
137.09598	1.5
145.10138	2.0
147.11720	9.3
149.09654	2.4
149.13315	6.5
157.10129	7.4
159.11690	7.9
160.04301	2.3
165.07393	3.5
175.03844	2.4
175.11214	6.3
176.04242	1.9
177.12723	11.1
181.10486	4.7
191.08952	4.6
193.12247	5.9
194.15404	12.7
195.13957	1.5
206.15558	1.3
209.09985	11.5
212.16516	8.4
218.15385	1.8
227.11082	5.6
233.01294	1.7
236.16583	2.1
247.15067	1.6
251.02370	2.0
252.14198	6.8
264.15988	1.7
267.32343	1.5
269.03436	2.4
270.15216	23.0
284.10025	3.2
288.13641	1.4
293.03320	9.4
298.07983	5.9
298.14734	20.0
311.04382	9.2
316.05258	3.9
316.09351	2.9
316.15851	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	316.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.3
55.01882	1.3
55.05509	2.3
55.66071	0.4
55.72188	0.7
56.05037	1.4
56.68071	0.5
57.03439	0.9
57.05813	0.6
60.04523	3.1
61.02923	1.4
65.03949	0.4
67.05534	1.0
68.05038	1.4
69.03442	4.5
69.07079	5.2
70.06597	16.4
71.05002	1.2
71.48859	0.6
72.07754	0.9
72.08159	17.6
72.89455	0.5
73.02914	0.6
74.06078	0.6
75.03180	0.5
79.05500	1.7
80.05032	1.0
81.03417	2.2
81.07056	3.7
82.06586	3.0
82.68499	0.4
83.04990	0.6
83.06097	0.8
84.04507	4.0
84.08144	10.5
85.02913	8.8
85.06523	0.5
86.06091	0.9
86.09711	66.7
87.04457	1.4
87.05590	1.5
87.10062	0.7
87.62279	0.5
88.03992	0.5
91.03966	0.8
91.05476	4.9
92.05899	0.5
93.05793	1.8
93.07040	1.6
94.06567	1.4
95.04983	0.9
96.04525	0.7
96.08144	2.0
97.02882	3.5
101.07146	2.2
102.05549	1.8
107.04942	1.6
108.08128	27.8
109.02860	1.5
109.06528	1.6
110.06031	0.6
110.07174	3.1
110.09642	0.8
112.96673	0.5
113.07085	0.5
115.08639	0.7
116.06348	0.6
116.07101	6.3
118.06577	0.8
118.55096	0.5
119.04900	0.6
120.08096	1.8
121.05283	0.5
123.04418	1.1
123.06794	1.8
124.07602	20.3
126.09129	0.5
127.03934	1.2
128.10590	0.7
129.06593	1.6
129.10251	4.8
130.04941	0.7
130.06509	0.9
130.08643	1.7
132.08069	0.6
136.07594	14.2
137.02345	0.7
137.05972	2.2
138.02638	1.1
138.09148	1.4
139.03882	0.5
145.04956	0.9
147.11305	1.9
151.03941	0.6
154.08640	100.0
154.31349	0.5
155.09026	0.5
156.07704	2.3
157.09705	0.7
159.09204	0.8
163.03911	1.9
164.07126	0.6
166.08641	1.5
170.06015	0.8
171.14957	5.4
173.12860	4.8
175.11879	0.9
183.08005	0.7
183.15019	0.6
185.09206	1.0
188.07051	1.1
196.09708	1.1
199.14430	2.5
199.18071	13.3
201.12294	0.9
203.13943	3.6
209.44441	0.6
215.13898	0.8
217.15427	0.8
221.02989	0.6
227.17537	5.2
229.15536	0.6
253.08698	1.0
257.07910	0.9
270.11087	0.9
299.09518	1.0
310.41162	0.5
316.05414	8.1
316.14178	2.9
316.17337	0.5
317.11502	0.6
332.50467	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0866
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
50.12521	0.3
50.95820	0.3
61.95922	0.3
67.01855	1.2
70.93314	0.8
79.01858	0.4
84.21259	0.4
91.05477	1.1
95.04977	1.1
99.04384	0.5
101.55755	0.3
111.04466	0.9
119.04931	2.7
121.06526	6.1
123.04444	0.6
134.03632	1.3
135.04440	1.3
137.05974	1.8
148.05194	1.4
149.06003	2.0
151.04001	0.6
153.05505	0.6
163.03888	2.5
166.02609	0.5
167.03416	25.0
171.08066	0.8
175.03923	4.5
177.05486	0.5
179.03391	0.9
184.05225	0.7
189.05479	1.9
198.06801	1.0
199.07527	0.5
211.03999	0.5
212.04707	1.5
216.07765	0.7
226.06207	0.8
227.07047	2.3
229.04984	0.8
230.05696	0.9
231.06537	0.9
240.04173	1.2
241.08556	1.0
241.60603	0.3
243.06558	2.7
244.07381	1.3
254.05748	2.3
255.06557	14.4
256.07303	0.5
257.04404	1.1
259.09677	6.8
269.08160	0.7
271.09634	0.8
272.06863	2.0
282.05304	3.1
283.06079	1.5
287.09143	3.5
297.07614	1.7
300.06329	1.3
315.08646	100.0
316.08994	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0861
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
53.03941	0.5
55.01865	0.3
55.05503	0.3
67.01866	1.2
68.99818	0.3
70.13132	0.7
70.13478	0.2
76.22362	0.2
79.05502	0.3
81.03432	0.5
81.07048	0.3
83.04997	0.3
89.03945	0.5
91.05483	1.3
93.07043	0.4
95.04988	1.2
105.03444	0.3
107.04894	0.3
108.02098	0.3
109.10126	0.3
111.04420	0.9
119.04948	2.7
119.08609	0.3
119.09414	0.2
121.06512	5.8
123.04424	0.7
133.02838	0.3
133.06456	0.2
133.10094	0.2
134.03629	1.6
135.04439	0.6
137.02322	0.5
137.05994	2.3
138.03133	0.5
139.03889	0.3
148.05170	1.7
149.05977	2.5
151.03935	1.0
153.05476	0.5
156.05739	0.4
161.06001	0.6
163.03929	3.2
164.04591	0.4
165.06982	0.3
165.19412	0.3
166.02673	0.5
166.93166	0.3
167.03409	24.8
168.05630	0.5
171.08041	0.5
175.03908	5.3
176.04669	0.5
179.03394	0.8
183.04584	0.3
183.08093	0.3
184.05165	0.7
185.04466	0.4
185.05937	0.4
187.07451	0.3
188.08389	0.3
189.05470	2.0
195.07968	0.3
198.06796	0.6
199.07536	1.0
201.05504	0.5
211.03831	0.4
212.04709	1.6
212.20277	0.3
215.07153	0.4
216.07852	0.9
217.04904	0.3
217.08632	0.3
226.06207	1.2
227.07027	2.7
229.04851	0.6
230.05804	1.1
231.06558	1.2
231.10175	0.8
239.03418	0.5
240.04175	1.9
240.08966	0.6
241.04933	0.3
241.08769	1.2
243.06554	2.9
244.07343	1.8
254.05830	2.0
255.06541	13.9
255.11082	0.8
256.07227	0.5
257.04471	1.5
257.08057	0.3
259.09662	6.4
267.02603	0.2
269.08099	0.6
271.06058	0.2
271.09641	0.6
272.06821	1.7
282.05255	3.7
283.05957	1.5
283.09311	0.5
287.09152	3.8
297.07617	2.6
297.12411	0.4
299.05527	0.6
300.06369	1.4
315.08621	100.0
316.08932	1.5
328.48328	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	8.5
57.03439	19.6
57.07079	61.7
66.67540	0.7
67.05511	11.2
69.07072	11.4
70.54871	2.1
71.04971	0.8
71.08634	39.5
71.64344	0.7
75.04499	1.1
79.05470	1.5
81.07063	16.5
83.04971	1.1
83.08623	12.7
85.06532	1.1
85.10184	24.6
89.06022	2.6
93.07043	1.2
95.08606	25.0
97.06496	1.1
97.10172	7.3
99.11711	1.3
103.07595	2.2
109.10167	11.0
109.29509	0.8
111.11712	2.1
117.09111	0.8
123.11697	5.5
135.11674	1.1
137.13248	2.1
151.14845	0.9
160.67273	0.9
239.23694	4.9
245.65529	0.8
253.02661	0.9
257.24802	7.0
298.11084	1.0
313.27371	100.0
314.27618	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76438	1.3
55.05520	9.9
57.03201	2.2
57.03444	23.9
57.07080	69.8
67.05511	14.5
69.07069	12.2
69.49798	6.7
69.50199	3.3
71.04986	2.1
71.08636	46.1
73.61926	1.4
74.06090	2.1
77.28768	1.5
79.05447	1.9
81.07066	20.3
83.08620	16.4
85.10184	28.0
88.07632	4.6
89.06015	4.0
91.05502	2.9
95.08608	26.3
96.21159	1.6
97.10151	6.4
102.09187	3.1
103.07581	3.7
107.08557	2.8
109.10152	13.9
119.08611	2.0
121.06498	9.4
121.10155	2.7
123.11691	4.8
133.06465	1.5
137.13306	1.8
149.06001	17.2
188.46625	1.6
221.60878	1.5
239.23695	4.6
257.11768	6.0
257.24786	6.2
313.27325	100.0
313.32910	57.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0703
Annotation	Prosogerin A
Peak:m/z	Relative Intensity
51.02388	0.1
53.03938	0.3
55.01859	0.1
55.05500	0.1
57.03433	0.2
65.03942	0.9
67.01863	0.3
68.99783	0.8
69.03445	0.2
70.61811	0.2
77.03912	0.1
77.29159	0.1
79.01825	0.1
81.03419	1.3
83.01350	0.1
83.04977	0.1
85.02909	1.1
91.05491	0.4
93.03415	0.9
95.01355	0.1
95.04974	0.3
97.02891	0.1
98.97561	0.1
105.03395	0.2
107.01291	0.2
109.02883	1.2
110.03644	0.1
111.00800	0.2
111.04430	0.2
118.04160	0.2
119.04946	2.0
120.05723	0.2
120.08109	0.8
121.02872	7.5
124.01575	0.2
125.02339	0.4
125.73343	0.1
127.03906	0.1
131.04961	0.1
133.02840	0.4
135.00781	0.1
135.04422	0.1
138.03111	0.9
139.03949	0.1
145.02852	2.6
145.04002	0.2
145.06453	0.1
147.04396	0.3
149.02348	5.2
151.03859	0.1
152.01094	0.2
153.01817	1.1
155.05025	0.1
163.03880	0.9
165.01837	1.4
165.07018	0.3
166.02626	0.7
167.03406	5.1
169.06529	0.1
171.02913	0.1
171.07979	0.1
173.06003	0.1
177.01848	3.1
181.06416	0.1
182.07304	0.1
183.02901	0.2
183.08054	0.3
184.03676	0.2
187.03926	0.3
193.06468	0.1
195.02899	3.1
197.05969	0.3
199.07544	0.1
201.05557	0.1
202.06256	0.2
210.06720	0.1
211.07477	0.6
213.05525	0.4
215.07043	0.3
221.05954	0.2
225.05396	0.1
227.07071	0.6
228.07755	0.3
229.04959	2.0
238.06265	0.2
239.07030	2.2
241.04927	0.2
241.08582	0.2
242.05742	1.2
243.06494	0.3
247.05991	0.3
253.04874	0.2
255.06522	2.4
256.07303	2.8
257.08063	0.2
265.04922	0.1
266.05728	0.3
267.06531	12.4
268.06903	0.4
269.04477	0.8
269.07715	0.1
270.05240	4.3
271.05847	0.2
283.06018	10.9
284.06796	17.8
285.07526	1.6
295.06018	8.3
296.06335	0.2
298.04593	0.1
313.07056	100.0
314.07425	1.9
338.52039	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	313.0557
Annotation	cis-caftaric acid
Peak:m/z	Relative Intensity
51.02386	0.9
53.03937	2.6
55.01877	10.6
56.05025	1.6
57.07062	2.2
61.02936	5.0
65.03935	2.3
67.05505	2.3
68.99792	4.0
69.03438	5.9
69.07047	1.6
70.06577	3.8
70.47343	3.5
72.08148	3.1
79.01862	2.5
79.05526	1.8
81.03415	3.8
81.07065	1.3
81.14613	0.9
83.06087	1.4
84.08137	4.5
85.02895	2.7
86.09705	2.3
91.05447	2.8
95.04972	2.5
97.02873	1.8
99.00798	2.1
100.11274	1.3
101.02391	0.9
105.03391	2.8
107.04939	3.7
109.02891	9.4
109.23380	1.0
110.07145	2.3
111.04425	1.5
119.04893	1.3
121.02878	6.1
121.06534	1.8
122.52039	1.1
123.00803	1.3
123.04412	3.6
127.03999	1.3
129.10202	1.2
131.04886	2.0
133.02861	5.0
135.04446	7.0
136.50652	1.1
137.01387	1.8
137.02361	20.6
137.03392	1.7
137.05930	1.3
139.03903	11.8
141.01851	6.9
143.55821	1.0
143.91824	1.3
147.04424	4.3
149.02354	19.2
149.05983	3.7
151.03918	17.6
151.49306	0.9
159.04459	1.4
161.02344	1.5
163.03912	20.3
165.01849	100.0
175.00250	1.3
175.03900	3.2
177.01848	22.5
177.05467	9.5
179.03389	19.3
183.02905	49.6
186.76541	1.1
189.05482	1.6
191.03398	13.6
193.04929	1.9
195.02901	2.4
203.03387	1.9
205.01381	9.5
205.04926	12.4
205.06583	2.6
207.02879	6.1
215.03395	2.4
221.04413	12.6
221.06348	1.2
223.02385	18.6
223.07545	10.0
233.04398	26.8
235.02451	5.8
239.07271	1.4
249.03821	19.0
251.07321	5.6
267.04938	20.9
269.07953	2.3
277.03348	29.1
295.04395	22.1
313.05487	18.4
313.08655	1.6
313.11771	1.6
313.27423	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	4.3
55.05527	3.1
56.05052	4.0
57.03436	4.7
59.04993	2.2
60.04544	3.9
61.02933	9.9
67.05516	3.0
69.03437	16.8
69.07066	11.4
70.06596	31.6
70.07088	8.6
71.05003	3.3
72.08164	17.7
73.02934	5.4
74.06085	2.6
77.03949	2.4
81.03423	9.2
84.04488	6.4
84.08151	20.8
85.02914	100.0
86.09719	13.5
87.04480	5.6
87.08117	17.9
88.04024	5.0
91.03960	6.4
91.05492	5.6
91.73742	2.0
93.07058	4.1
97.02905	24.1
99.04447	5.6
102.05561	3.3
103.03913	4.7
105.03424	7.2
105.07039	6.0
107.08603	4.5
109.02887	7.1
110.06034	3.8
110.07176	8.7
117.06932	1.9
118.06553	1.9
120.08120	10.3
121.06545	6.6
127.03938	29.5
129.10286	8.4
130.06558	4.0
131.08562	5.7
132.38455	2.2
133.02856	18.1
133.08604	4.5
136.07613	7.6
138.09166	2.7
139.05748	4.7
141.10222	2.3
145.04962	45.5
146.06070	2.7
151.03920	4.7
161.02455	2.1
161.06015	2.2
162.05438	2.7
163.06029	9.8
167.07254	2.3
168.08092	2.3
173.13268	8.8
179.03387	12.0
180.08170	2.9
185.16476	2.7
191.14380	3.7
204.10242	3.3
207.12097	2.6
219.26389	2.3
222.11302	3.0
225.13084	5.6
228.10431	3.5
241.89316	2.2
242.08165	2.5
250.08571	5.8
250.10878	8.5
266.08014	2.5
294.15140	2.1
312.17993	41.7
313.28525	2.3
314.91843	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.4
54.83373	2.0
55.05490	4.2
57.07077	3.3
60.65613	1.9
61.02916	3.9
61.12904	2.1
61.50709	1.9
69.03434	11.0
69.07058	7.2
69.23743	1.9
70.02963	4.9
70.06604	19.7
70.82157	1.8
71.48385	4.0
72.08156	9.8
74.06070	2.4
79.05508	4.6
81.03419	5.4
81.07081	4.5
83.04977	3.3
84.04535	4.6
84.08146	16.5
85.02905	40.0
86.09718	11.6
87.08102	7.1
88.03498	2.2
88.04006	24.3
91.05478	9.4
93.07048	6.3
95.08652	4.7
97.02922	9.9
97.06534	1.9
103.03985	5.4
105.03419	3.2
105.07024	16.2
106.07854	2.7
107.04940	2.4
107.08608	34.0
109.02891	3.6
109.06546	2.0
109.10165	2.5
110.00903	1.9
110.06145	2.3
110.07160	7.2
111.02680	3.3
117.07061	3.0
119.08611	7.6
120.08118	4.0
121.06519	6.9
121.10142	5.3
125.04227	8.7
127.03954	10.7
127.05825	3.6
129.10272	7.3
131.08577	26.2
133.02869	9.7
133.10139	6.5
133.86728	2.3
135.08089	4.9
135.11667	2.4
136.07564	3.6
139.05780	35.3
141.07253	4.1
143.08597	5.2
145.04959	15.4
145.10175	5.9
146.21237	2.3
147.11700	5.9
149.09567	2.2
149.13280	6.2
151.03825	2.3
156.09366	2.7
158.10922	11.7
159.11728	3.4
162.05563	4.6
163.05907	7.7
167.05299	3.3
169.06721	2.8
171.11707	9.8
172.12476	5.2
173.13278	47.9
174.04063	2.2
175.14886	3.6
179.03409	5.4
183.05980	2.0
190.15768	2.2
191.14322	21.1
204.10216	6.9
205.10551	8.7
207.12035	21.9
208.09630	2.8
211.07982	4.4
222.11229	5.4
223.11455	5.2
225.13124	32.9
228.10573	12.0
236.16502	2.9
250.10773	11.9
256.10089	7.8
277.12646	3.2
294.15063	15.5
295.13556	3.2
312.16385	100.0
313.03415	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2581
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03937	0.8
54.04026	0.4
55.01878	5.7
55.05515	35.7
56.30906	0.4
57.03443	8.9
57.07081	15.6
59.36198	0.3
67.05505	5.6
69.07073	33.2
71.08245	0.5
71.08635	8.7
73.02569	0.6
73.02922	6.6
79.05511	2.7
81.07063	7.0
83.04971	1.1
83.08624	28.9
85.10187	3.4
91.05456	0.5
93.07062	3.8
95.08622	5.2
97.06544	2.6
97.10176	19.7
107.08592	2.6
109.10159	2.0
111.08079	1.6
111.11729	6.0
111.86959	0.5
121.10143	3.3
123.11702	0.9
125.09650	0.6
125.13258	1.0
129.05475	3.1
135.11708	2.2
137.13235	0.6
140.94824	0.4
149.13232	1.0
153.12711	0.5
163.14897	0.6
209.11726	1.6
219.21190	0.5
224.98993	0.5
237.11165	1.5
237.22113	0.9
255.23163	0.6
311.25821	100.0
312.26184	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2582
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03939	0.9
55.01870	3.1
55.05516	55.1
57.03444	20.1
57.07082	21.9
63.64775	0.7
67.05506	7.4
69.07075	62.3
71.04995	1.0
71.08637	15.4
73.02917	1.9
75.04453	0.7
79.05511	6.0
79.05889	1.2
80.71593	0.9
81.07063	11.0
83.04976	1.0
83.08626	51.4
85.06551	1.2
85.10184	6.2
91.05463	0.7
91.35124	0.7
93.07057	6.8
94.54990	0.7
95.08616	9.0
97.06551	5.6
97.10177	36.2
107.08601	5.0
109.10151	2.6
111.08087	2.5
111.11726	9.3
121.10160	5.5
123.11667	1.3
125.09654	1.8
125.13273	3.0
127.59393	0.9
127.60342	0.8
129.05406	0.9
135.11771	4.7
137.13274	0.9
139.11205	1.0
148.19199	0.7
149.13263	2.2
163.14771	1.0
198.58667	0.8
209.11783	1.1
219.21068	2.0
228.94185	1.1
237.11287	1.6
237.22203	1.4
265.24545	0.8
311.25830	100.0
312.26117	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2218
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03965	6.4
55.01875	39.9
55.05512	53.8
55.61520	3.9
57.03431	4.0
57.07080	27.2
65.03934	5.3
67.05506	45.0
69.03435	5.7
69.07071	29.9
70.10335	13.0
71.04989	14.7
79.05502	63.5
81.03436	7.9
81.07060	74.2
83.04993	37.0
83.08630	29.8
91.05479	27.7
92.80556	3.8
93.07058	40.2
95.04967	16.1
95.08620	40.4
97.06529	33.0
97.10171	42.7
104.52388	3.8
105.07047	27.6
107.04953	6.3
107.08600	91.6
108.60201	4.8
109.02879	5.8
109.06563	7.1
109.10185	18.8
111.04463	26.6
111.08080	8.2
113.06002	13.1
117.07024	10.9
119.08573	12.1
121.06519	6.6
121.10154	16.3
123.08083	8.5
123.11748	8.4
125.06013	18.2
125.09637	83.6
131.08577	24.0
133.10139	11.7
135.04439	3.9
135.08061	9.0
135.11700	17.8
137.05972	5.9
139.11151	6.2
145.10104	19.1
147.11691	7.9
149.09630	8.8
149.13190	4.5
149.74991	5.2
151.11218	4.4
153.05501	16.5
153.09128	4.5
153.12740	12.5
157.10167	6.9
159.11717	8.9
161.13266	4.9
163.11224	15.1
173.13318	6.1
177.12729	9.8
181.04970	4.0
181.12253	13.2
189.11249	24.6
191.10645	19.2
205.12257	5.4
209.11722	100.0
211.13260	5.5
213.14816	5.8
220.04036	4.0
223.13318	17.0
235.16649	3.9
237.11240	83.9
251.10713	4.3
255.12312	20.0
257.19070	8.8
272.16357	4.1
275.20099	62.3
293.17795	6.2
293.21060	46.0
311.12399	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.7
55.01867	8.6
55.05516	19.9
56.96550	3.7
57.03400	3.4
57.07087	31.4
67.05510	41.8
69.07072	26.1
69.12432	26.0
69.12854	11.4
70.05573	3.4
71.01983	3.0
79.05495	19.4
81.03419	3.7
81.07063	30.6
82.15355	3.1
82.95899	3.6
83.04980	11.3
83.08631	10.6
91.05480	21.9
93.07044	27.2
95.08607	30.8
97.06538	7.3
97.10165	5.7
98.20792	7.3
101.87149	3.6
105.07027	20.5
107.04950	9.2
107.08570	14.4
109.02908	3.9
109.06522	10.9
109.10152	18.6
111.04440	22.3
111.08074	8.5
113.67068	3.9
117.07007	3.9
119.08582	15.0
121.06490	5.7
121.10152	18.2
123.08080	8.2
123.11691	7.5
125.06020	5.6
125.09615	4.6
131.08545	16.3
133.10120	15.5
135.08081	21.8
135.11671	8.7
137.09633	7.4
138.99452	6.5
140.99133	8.8
145.10144	9.6
147.11670	12.2
149.09621	7.2
151.11246	5.4
153.05444	13.6
156.02101	7.9
158.01808	8.2
159.11737	8.5
161.09613	9.4
163.11128	10.7
173.13278	5.1
175.11278	3.6
175.14761	3.6
181.05074	5.4
181.12285	9.1
183.11627	5.0
191.10661	9.2
193.12234	4.9
209.11736	100.0
219.13838	3.3
227.04665	3.5
237.11223	69.7
241.82246	3.6
255.12263	15.8
257.19083	7.7
275.20087	90.1
279.09665	3.7
293.17810	5.0
293.21094	34.2
311.05499	5.5
311.23727	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	311.222
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
50.29648	5.8
55.01868	6.9
55.05506	28.3
57.07076	19.1
67.05508	52.5
67.84385	5.2
69.07072	50.3
70.06593	11.0
71.05021	7.0
71.08639	12.3
79.05492	31.8
81.07063	65.7
83.04962	10.8
83.08630	12.4
84.08137	8.0
91.05495	25.8
93.07047	31.4
95.04992	10.5
95.08611	69.3
97.06534	9.2
97.10205	9.1
98.20815	16.7
99.08109	9.0
105.07028	16.7
107.08650	32.6
109.10166	46.7
111.04459	11.0
111.08163	7.3
117.07018	8.7
119.08587	23.9
121.06496	12.2
121.10152	25.4
123.08066	11.5
123.11700	12.6
125.09690	14.6
125.37534	6.4
131.08603	17.3
133.10127	16.3
135.08083	16.2
135.11728	18.6
136.26205	5.9
145.10136	11.0
147.11731	9.3
149.02374	18.7
149.09665	18.7
151.11227	7.9
155.08592	6.7
155.10695	7.4
157.10164	7.0
159.11731	12.4
161.09637	6.6
167.99776	5.5
173.13310	6.8
177.12802	8.6
187.11247	7.5
193.05002	31.1
196.62569	9.4
200.20189	8.9
209.11768	17.7
224.65704	10.9
237.11240	18.0
251.20096	25.8
257.19104	15.0
265.21820	7.0
275.20065	100.0
281.32523	6.0
293.21185	24.0
311.05499	20.6
311.24673	56.2
311.74701	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	311.2215
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
50.06900	6.7
51.95374	5.1
53.97252	5.7
55.01871	20.3
55.05512	52.9
55.56103	5.6
57.03448	10.2
57.07084	12.3
59.05001	5.4
63.38037	4.6
63.62174	6.5
67.05511	89.8
69.03455	9.5
69.07072	44.7
70.75979	9.6
70.76305	6.5
71.05000	7.6
72.08163	6.0
73.50446	6.3
79.05493	41.7
81.03429	13.1
81.06597	6.7
81.07069	100.0
81.52793	5.6
83.04971	14.4
83.08620	31.1
85.02876	5.3
85.06535	14.3
90.01722	5.2
91.05505	38.2
93.07050	66.1
95.04968	8.6
95.08607	66.9
97.06526	15.6
97.10157	26.9
97.48978	6.5
99.04489	7.0
99.08098	11.0
105.07032	39.0
106.91840	6.1
107.04945	5.8
107.08612	36.8
109.02891	10.0
109.06520	13.8
109.10176	44.1
115.05465	5.9
117.06998	10.9
119.08596	52.9
121.06535	7.2
121.10164	28.2
123.08064	17.1
123.11742	12.0
125.09638	27.7
129.07016	11.1
131.04895	7.0
131.08577	20.0
133.10130	35.6
135.08052	11.2
135.11719	16.2
137.06024	17.0
137.09657	8.4
137.13283	7.3
143.08597	14.4
145.10138	17.0
147.11691	21.0
149.09644	9.8
149.13258	10.3
152.06427	6.5
158.03641	19.1
159.11734	18.6
161.13298	11.8
163.11200	8.9
169.10115	10.1
171.04399	11.9
171.11665	7.3
173.11725	9.0
173.13226	11.8
177.12761	8.6
181.06438	11.4
186.03149	7.9
187.03912	9.2
189.11218	11.8
190.07722	8.5
193.03197	8.5
199.03975	7.3
203.26950	6.3
215.03392	31.3
216.03453	49.6
218.04277	10.8
219.08009	14.2
219.17607	6.3
221.57094	6.6
237.05495	16.1
239.18031	11.0
251.10715	19.2
257.19019	14.4
265.04987	24.2
267.06570	18.1
275.20096	99.1
279.10254	19.9
283.05963	7.5
288.04248	7.3
291.04034	8.6
293.04520	40.5
293.21033	29.6
300.04373	54.8
311.05490	66.9
311.09015	10.3
311.12823	36.0
311.16095	8.4
311.19992	10.5
311.55310	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	311.1278
Annotation	Porphine
Peak:m/z	Relative Intensity
53.03937	1.3
53.80233	0.9
55.01865	2.0
55.05500	2.9
57.07077	1.5
67.05494	2.8
69.03416	1.6
69.07075	5.4
69.60847	6.4
69.61260	2.2
70.06553	1.4
71.08631	2.0
74.12587	1.0
79.05486	4.1
81.07055	10.1
81.92777	1.2
83.04982	1.7
83.08611	1.5
84.08148	1.1
89.03939	1.1
90.82784	1.1
91.05494	7.5
93.07020	2.7
94.04179	3.5
95.04980	1.4
95.08614	6.3
97.06507	1.9
97.10158	2.6
103.05486	2.3
105.07042	9.9
107.04977	1.7
107.08576	3.9
109.06526	6.5
109.10143	4.6
110.25216	1.1
111.08042	1.3
115.05443	3.1
119.08588	2.4
121.06516	1.8
121.10146	3.1
122.03651	10.0
123.04436	1.3
123.11740	2.2
125.09690	2.6
125.94746	1.1
127.05380	0.9
128.06207	2.0
129.06982	6.6
131.04922	2.1
131.08589	1.8
133.02811	1.7
133.06479	4.5
135.04463	1.6
135.11659	1.8
137.05984	100.0
137.13239	1.9
143.05988	1.2
144.05702	3.3
145.06451	1.7
147.11739	1.2
149.06004	4.8
149.09506	1.1
155.04927	6.5
155.06039	1.9
159.08061	9.2
159.11688	1.4
161.06004	12.2
165.06995	4.0
171.04422	1.3
172.05190	3.2
175.07532	5.0
175.14806	1.3
179.08559	2.7
180.09297	1.8
181.06514	1.1
187.07559	29.5
189.06995	5.9
189.09055	1.7
190.06148	1.9
190.07787	26.7
191.08572	48.9
201.07143	1.3
202.07843	2.6
203.08629	1.7
205.06496	4.2
207.08101	5.9
208.08908	7.3
218.07281	16.3
219.08069	63.5
220.08771	6.2
221.06039	3.8
225.09190	1.2
229.07652	1.6
233.09505	2.5
235.07520	9.3
236.08325	13.8
237.09068	3.7
247.07562	26.8
247.09969	2.2
248.08321	2.1
249.05478	1.7
249.09154	2.0
251.10687	88.9
252.11032	1.8
253.08522	7.4
261.09171	4.1
263.06958	1.7
264.07767	9.1
265.08600	3.9
267.10104	1.4
277.08594	1.2
279.10181	68.4
280.10803	6.8
281.08118	8.1
293.24796	2.5
295.09634	1.2
296.10480	8.3
311.05792	2.0
311.12784	71.5
312.13086	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1282
Annotation	Porphine
Peak:m/z	Relative Intensity
53.03944	2.6
55.01866	2.6
55.05499	3.7
57.07077	1.1
59.04972	1.1
59.34499	1.0
61.62943	1.0
67.05512	6.8
67.21969	1.0
69.03427	4.1
69.07079	7.5
69.40051	8.9
70.06577	2.7
71.04980	1.4
72.08162	1.9
79.05503	7.6
81.03419	2.5
81.07056	12.6
83.04977	2.4
83.08637	1.7
84.08117	2.8
85.02930	2.3
85.06531	2.0
86.09708	2.2
89.03902	1.6
91.05495	9.8
93.07039	8.9
94.04181	3.5
94.06584	1.5
95.04970	4.1
95.08605	8.4
97.02895	1.9
97.06524	3.5
97.10191	1.4
99.04454	1.6
103.05492	2.4
105.03404	2.1
105.07040	12.2
107.04945	4.3
107.08617	5.8
109.02873	1.3
109.06547	7.4
109.10194	5.3
111.04468	1.7
111.08096	2.5
111.30808	1.1
113.02380	1.5
115.05461	3.3
116.06248	1.5
117.07014	1.3
119.08575	4.7
120.08134	2.3
121.02897	1.8
121.06511	5.1
121.10142	5.1
122.03648	10.5
122.06051	3.9
123.04467	1.7
123.08051	2.2
123.11697	2.6
125.09622	5.0
128.06256	2.7
129.07047	6.0
131.04942	3.4
131.08569	4.5
133.06474	4.5
133.10181	1.8
135.08028	1.5
135.11687	2.5
136.07631	1.6
137.05988	90.2
137.09625	2.8
139.08655	6.7
139.11200	1.3
144.05699	3.9
145.06519	2.3
145.10129	3.2
147.11732	1.6
148.63264	1.1
149.06018	6.5
149.09627	2.2
155.04919	7.5
155.06050	2.0
156.05728	1.3
157.06544	2.4
159.08063	7.9
159.11696	1.5
161.06026	12.6
161.09641	1.6
163.03934	1.3
163.07532	2.2
163.11247	2.6
165.07001	3.9
171.04446	1.5
171.11754	1.5
172.05211	4.4
175.07536	4.7
177.01845	3.5
179.08586	2.0
181.06522	1.8
181.12090	1.4
187.03891	1.2
187.07555	28.5
189.06998	6.2
189.08879	1.9
190.07770	20.3
191.08568	46.0
191.10330	2.7
193.06494	2.1
193.10066	1.7
194.10017	1.1
195.08087	1.5
202.07831	1.8
205.06526	4.0
207.08060	7.2
208.08836	8.9
213.05412	1.4
218.07254	11.9
219.08072	60.6
220.08804	6.1
221.06001	5.2
221.09702	2.0
222.06659	1.7
223.07707	2.1
225.09193	1.5
229.07610	1.7
233.09685	4.3
234.06686	2.1
235.07579	7.8
236.08345	14.5
237.05324	1.4
237.09099	4.1
240.07878	1.7
241.05002	6.5
246.06805	1.9
247.07550	27.8
248.08215	3.4
250.06239	2.6
250.09912	2.1
251.10684	78.0
253.08559	4.9
255.06544	2.7
261.09061	5.1
263.06882	2.0
264.07813	10.7
265.08618	6.3
265.12070	1.5
267.10123	1.4
268.07413	1.4
268.10788	2.2
275.20123	2.6
277.04379	1.2
278.09305	1.7
279.10178	69.0
280.10910	6.8
281.08160	11.1
283.06174	2.2
283.09836	2.6
283.13278	3.7
293.21164	1.5
295.09604	1.3
296.10455	10.2
311.05585	26.4
311.09409	6.1
311.12744	100.0
312.06009	1.5
312.13010	1.6
316.37079	1.2
329.49438	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1275
Annotation	Porphine
Peak:m/z	Relative Intensity
53.03941	1.0
55.01872	1.4
55.05511	1.0
69.03407	0.7
69.25677	6.4
71.04991	0.8
72.08131	0.9
79.05491	4.0
81.07049	2.4
84.08144	1.4
85.06537	0.7
86.09715	0.8
87.04465	0.8
89.03916	0.9
90.61560	0.7
91.05478	5.3
93.07043	1.4
94.04182	5.4
95.04983	1.0
95.08620	1.1
98.20721	1.7
101.89340	0.7
103.05477	2.1
105.07024	9.2
107.04949	2.3
107.08617	1.6
109.06516	5.7
109.10210	0.7
109.84406	0.8
115.05477	3.3
115.73523	0.7
116.06251	1.5
117.03350	1.0
118.04173	0.8
120.07961	0.7
121.06523	1.8
121.10118	1.4
122.03654	11.3
127.05448	0.9
128.06223	2.9
129.07013	5.0
131.04941	2.2
131.08522	1.4
133.06520	5.9
134.03676	0.9
135.04462	1.1
137.05981	100.0
141.07024	1.1
144.05705	4.5
145.06494	1.8
146.03691	1.7
147.48755	0.7
149.05980	5.1
151.07558	1.1
155.04930	9.4
155.06020	1.7
156.05634	2.0
159.08078	8.9
161.05975	13.7
162.05482	1.1
163.03963	1.6
163.07594	0.9
165.06993	4.6
171.04523	1.1
172.05170	3.8
175.07507	3.9
177.07018	0.8
179.08534	1.5
180.09338	1.8
181.06439	1.1
187.07549	28.6
189.07004	6.2
189.08694	1.0
190.07771	27.7
190.09525	1.3
191.08560	57.7
192.08983	1.4
193.06516	1.4
197.09662	0.8
201.07007	2.7
202.07800	2.9
203.08475	1.4
205.06531	2.5
207.08096	6.3
208.08818	7.7
209.09673	0.8
215.08667	0.8
217.06366	1.7
218.07297	15.3
219.08060	66.2
220.08794	7.1
221.05988	2.8
223.11172	1.4
225.09070	2.2
229.07666	2.8
231.07988	1.6
233.09564	2.4
235.07536	9.7
236.08318	15.1
237.09021	3.9
246.06744	2.5
247.07544	28.4
248.08238	4.8
249.05531	1.6
249.09050	1.2
250.09894	1.0
251.10675	92.0
252.10876	1.4
253.08614	9.4
261.08960	4.0
263.07056	2.2
264.07819	11.1
265.08643	3.8
267.10211	1.8
268.07309	1.0
268.10919	2.3
275.19995	1.1
278.09079	0.9
279.10162	80.1
280.08258	0.8
280.10886	5.4
281.08121	12.2
283.05911	1.4
283.09915	0.9
283.13330	1.3
293.11942	0.8
295.09735	2.0
296.10452	15.5
309.11337	0.9
311.12778	86.7
312.12888	0.9
316.48621	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70231	1.6
53.03946	3.5
55.01862	5.6
56.05033	4.9
56.96564	15.3
57.03436	4.3
57.92763	1.7
61.02925	3.0
67.05495	1.8
69.03426	18.3
70.06586	9.4
71.01310	1.8
71.05011	2.9
71.47983	2.2
72.08149	5.9
73.02920	5.9
77.03915	1.9
79.05503	3.8
80.56889	1.6
81.03405	8.8
81.07078	2.1
83.04994	2.7
84.04510	57.2
84.08147	7.5
85.02901	15.4
86.09713	3.6
89.03868	2.5
91.05484	24.8
93.89627	1.6
95.04966	9.5
97.02895	21.0
98.97581	4.2
100.11237	1.7
102.05565	4.0
103.05472	7.4
105.03393	4.6
105.07016	1.8
107.04958	6.4
109.02849	2.6
110.07142	4.1
111.04455	1.9
115.03953	5.2
115.05421	3.2
116.98596	3.3
117.03407	5.0
117.07044	2.4
119.04951	37.7
121.06496	3.7
122.03632	3.5
123.04443	47.6
127.03915	10.3
128.98633	1.9
129.05475	3.5
129.10220	3.8
130.05011	11.7
130.08684	2.0
131.04945	11.8
133.02838	4.3
134.09666	7.4
135.04443	8.3
135.10046	2.8
136.07590	100.0
137.05978	54.9
137.31346	1.7
141.07011	4.7
143.04959	4.2
145.02841	6.0
145.04979	2.7
145.06477	3.1
147.04414	33.6
149.01239	6.2
149.05975	16.3
151.03906	7.5
151.07565	6.5
158.99672	2.4
159.04410	5.2
160.05266	3.4
161.05956	2.6
161.07158	5.4
163.03894	17.5
163.07574	8.0
164.04745	3.3
165.05486	71.0
167.07014	3.8
169.06483	5.4
171.04510	2.5
173.06027	2.5
175.03973	2.7
175.07539	6.4
176.04683	4.1
177.05486	20.8
177.09151	1.9
179.03427	3.2
179.07056	7.5
182.08133	60.7
187.07533	5.5
189.05516	2.9
191.07037	20.5
197.06061	4.1
200.04831	1.9
202.08653	12.5
203.07118	6.2
207.06506	3.0
207.80678	2.0
212.98576	4.8
215.07071	6.5
216.74236	2.0
221.08116	4.1
222.11230	2.4
228.05138	2.1
229.08566	8.9
230.99736	2.0
233.08119	4.2
247.07317	2.0
248.09206	7.6
257.07968	4.4
275.09134	5.1
293.10529	5.6
294.09744	8.7
311.12094	11.3
311.16046	5.2
311.19678	2.9
328.99820	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	310.1474
Annotation	SB 218655
Peak:m/z	Relative Intensity
55.05515	5.5
56.05036	1.3
58.99593	3.4
61.01160	1.0
67.05508	1.2
69.07069	1.6
69.75210	0.9
70.02952	5.4
70.06602	8.8
72.08160	5.5
73.01148	1.4
74.06092	1.0
76.23599	0.9
79.05520	1.8
81.07082	1.9
83.04985	9.7
84.04520	1.4
84.08149	10.9
86.09724	5.5
88.03995	34.9
91.05511	3.3
93.07059	2.6
96.04531	3.9
97.01108	1.0
99.02719	0.9
104.06330	0.9
105.07037	17.8
106.07880	1.0
107.04971	1.5
107.07410	1.4
107.08608	7.3
108.08147	3.7
109.06530	1.2
110.07183	1.7
111.02715	3.8
117.03398	1.7
117.07054	1.6
119.08578	10.4
120.01235	0.8
120.08157	2.7
121.10207	4.1
122.09705	2.6
123.02621	1.3
123.08171	1.0
124.07623	2.2
125.04206	6.7
129.10287	3.2
131.08640	3.0
133.06543	2.2
133.10129	4.9
136.07625	1.4
137.04202	23.5
139.05779	16.0
140.05341	1.9
144.09380	1.6
145.02838	4.6
145.10139	6.1
146.03671	1.4
147.08092	1.6
147.11684	14.5
148.11261	5.4
149.04303	1.4
149.11578	4.4
150.06778	1.2
150.09184	1.1
151.05853	1.7
156.09358	1.2
157.10251	1.2
159.10550	1.8
159.11678	6.8
161.09695	4.7
161.13242	11.0
163.05815	3.7
165.03796	1.3
165.07365	2.0
165.12773	1.1
166.06844	4.6
166.12398	4.2
167.05327	2.3
169.13438	1.1
171.11720	1.1
174.10454	2.2
177.05557	4.2
179.09010	4.2
180.08501	1.6
181.10468	10.2
187.11220	5.4
188.12061	1.4
189.12750	18.6
191.14238	5.9
193.10480	4.5
195.04773	1.0
203.09134	1.4
205.10512	1.2
205.14761	2.7
206.15361	1.5
208.07845	1.8
209.06464	1.6
212.07405	10.5
221.09927	12.2
223.11517	34.7
226.08965	8.4
236.07161	1.0
236.18343	0.9
251.11092	2.2
252.10623	5.5
254.08641	1.3
292.13736	1.8
292.26706	1.0
293.11966	6.3
293.15210	0.9
293.18765	1.5
310.14874	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	310.1474
Annotation	SB 218655
Peak:m/z	Relative Intensity
53.03959	0.7
55.05520	6.8
56.05022	0.6
58.99595	3.2
67.05513	1.6
69.03423	1.9
69.07066	1.9
69.86619	3.1
70.02962	5.6
70.06603	4.7
72.08159	8.5
74.00710	0.7
79.05489	2.6
81.03385	0.8
81.07046	1.6
83.04982	8.6
84.04488	0.9
84.08154	7.7
86.09706	3.7
86.16016	0.7
86.99034	1.1
88.04000	34.6
91.05473	3.9
92.76507	0.7
93.07043	2.6
95.04997	0.7
95.08620	1.3
98.21404	1.0
103.05465	1.4
104.06256	1.0
105.03410	1.5
105.07045	19.5
106.07827	1.6
107.08604	8.4
108.08127	2.4
111.02685	3.2
117.03399	1.0
117.07053	1.4
119.08586	11.0
120.01163	1.3
120.08115	4.2
121.10129	3.7
122.02759	0.9
122.09655	2.8
125.04243	6.5
125.09525	0.6
129.10234	2.3
130.08670	0.7
131.08560	2.7
133.06494	3.0
133.10143	7.1
135.11745	0.6
136.07622	1.1
137.04211	24.3
139.05772	18.1
140.05304	2.1
141.07356	0.7
143.08531	0.9
144.09402	0.8
145.02838	1.7
145.10155	4.5
146.02704	1.1
147.08067	1.9
147.11688	17.6
148.12413	0.7
149.04213	1.1
150.09157	1.5
151.05757	1.3
156.09409	1.1
159.11702	8.2
160.12483	0.8
161.09601	3.4
161.13275	11.2
163.05785	3.3
164.14339	1.2
165.07326	2.1
165.12819	1.2
166.06883	4.0
167.05310	2.8
170.08170	1.1
171.11713	1.6
172.04265	0.8
174.10429	1.6
177.05476	2.8
177.10214	0.8
178.03223	1.7
179.05270	1.0
179.08957	5.1
180.08519	1.5
181.10487	9.8
187.11162	8.2
188.11942	0.9
189.12752	21.5
190.12227	1.1
191.05316	0.9
191.14326	5.8
193.10425	4.6
195.04720	1.0
203.08899	0.9
205.10519	1.1
205.14659	3.5
206.02895	0.7
206.15405	1.0
208.07965	3.4
209.06343	1.9
210.05846	0.8
212.07407	10.5
221.09967	12.4
223.11537	32.9
226.08968	5.9
247.11562	1.0
251.11002	2.0
252.10529	5.3
253.11432	0.9
254.08440	0.9
264.14166	1.8
275.11066	1.0
292.13660	0.9
293.05801	0.8
293.12106	3.3
310.14734	100.0
311.15158	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2426
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
51.24379	2.9
53.03963	5.4
55.01870	3.7
55.05519	28.9
57.03439	15.9
57.07061	7.6
60.49206	3.1
63.11942	2.8
67.05510	60.2
69.07085	28.4
71.05002	3.9
71.08639	47.8
79.05501	50.8
81.03407	7.5
81.07060	67.1
83.04986	15.8
83.08631	9.7
85.06541	7.2
91.04977	4.4
91.05496	40.0
93.07050	84.5
94.06884	2.8
95.04962	12.4
95.08620	58.4
97.06548	14.8
97.10176	9.3
99.08109	43.3
103.84710	3.0
105.07049	26.4
107.04982	8.6
107.08608	44.6
109.06541	3.6
109.10175	30.5
111.08086	7.3
113.09682	2.9
117.07047	7.7
119.08553	17.1
121.10157	35.5
123.11739	4.2
125.09645	4.2
125.15318	3.5
129.07022	3.7
131.08601	9.8
133.10141	11.1
135.11710	43.8
137.09641	6.4
139.11223	5.3
145.10141	7.4
147.11688	10.3
149.13258	16.7
151.11198	18.7
152.45357	3.6
157.10118	5.2
159.11717	5.9
161.13264	11.7
163.11191	7.5
171.11728	7.6
175.14726	3.6
179.14337	100.0
185.13409	4.5
187.14815	7.4
189.12744	3.5
221.15335	4.6
221.19012	3.5
235.16988	4.1
241.19504	4.0
259.20575	11.4
277.21628	57.9
291.23056	4.1
309.24542	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	309.2213
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
53.03941	8.0
55.05516	18.5
57.03432	9.4
57.07080	3.7
57.48386	3.3
67.05506	41.2
69.07079	19.2
69.24931	3.1
71.28915	6.4
79.05489	30.9
81.07067	49.4
83.04973	6.2
83.08625	11.0
84.88388	3.1
91.05483	41.0
91.20547	3.2
93.07053	63.4
95.04971	40.7
95.08610	44.5
97.06551	16.5
98.06002	3.8
104.01064	3.2
105.06407	5.6
105.07048	72.2
107.08604	30.0
109.06548	7.2
109.10164	23.6
117.07026	14.9
119.08603	55.7
121.06544	8.7
121.09338	5.8
121.10164	80.4
123.08115	10.3
123.11734	8.7
128.06239	10.9
129.07027	13.6
130.07779	8.1
131.08580	30.9
133.10156	34.8
135.11676	12.1
140.88060	3.6
141.07005	5.7
142.07768	14.3
143.08568	29.5
144.09329	10.8
144.95808	4.3
145.06483	4.4
145.10133	47.9
147.08046	4.4
147.11719	17.2
155.08571	13.0
156.09369	10.8
157.10155	38.7
158.10901	4.4
159.08109	6.1
159.11723	30.6
161.09596	5.5
161.13252	7.2
163.11261	4.0
164.98497	13.1
167.08789	4.3
169.10216	18.5
170.10939	5.4
171.11659	16.6
173.13228	21.8
175.14917	4.3
179.08539	6.6
181.10077	8.8
183.11700	23.5
184.12570	3.6
185.09677	3.5
185.13242	6.8
187.11227	10.2
187.14861	14.9
193.10184	12.6
195.11716	14.2
197.13316	18.4
199.14815	10.1
201.12730	4.0
206.99504	5.9
207.11696	9.2
209.13263	13.3
211.14888	12.8
213.16441	5.1
213.58862	3.4
215.14351	3.3
218.84578	4.1
220.12482	5.1
221.13217	6.5
223.14764	3.9
225.16452	8.1
235.14871	12.5
237.16225	5.4
239.14250	5.5
239.17969	6.2
249.00790	3.6
251.17847	5.2
253.15877	10.5
272.55002	3.7
281.22653	9.6
291.21109	11.5
309.07455	12.0
309.21976	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2063
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03945	9.6
53.12915	4.2
55.01870	18.7
55.05518	41.3
55.60787	4.9
56.57964	4.8
57.03414	6.0
57.07080	9.5
64.38026	5.1
67.05178	7.8
67.05511	88.7
69.03419	8.1
69.07070	34.6
71.04979	11.3
71.08643	6.3
71.48755	4.9
79.05499	51.5
81.03432	5.7
81.07063	100.0
83.01328	4.9
83.04984	14.4
83.08614	13.0
85.06536	12.6
91.05491	60.5
93.07050	45.4
95.04993	8.7
95.08615	46.5
97.06561	7.5
97.10185	10.7
98.98489	5.1
105.07046	52.2
107.05013	8.8
107.08593	51.9
109.06525	14.6
109.10161	72.7
111.04455	7.9
111.08102	8.3
117.07000	7.3
119.08599	21.8
121.06512	10.3
121.10178	15.2
123.08057	10.7
123.11731	17.0
125.06021	5.6
125.09640	5.6
129.07059	5.8
131.08566	15.6
133.06483	12.9
133.10138	97.6
135.08066	8.7
135.11725	12.9
139.07555	6.0
143.08487	4.6
145.10136	12.9
147.08057	9.4
147.11710	12.5
149.09630	10.3
151.11189	52.3
152.09041	4.7
157.97896	4.9
159.11696	7.6
161.09589	12.1
167.62944	4.4
169.12291	9.4
175.11267	7.1
204.04094	4.5
229.12115	4.4
231.13846	6.2
245.19122	12.4
263.20212	10.5
273.18515	25.6
291.19507	58.3
309.07584	4.5
309.17322	6.1
309.20657	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	309.2062
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03930	3.7
55.01873	5.5
55.05505	14.3
55.59746	2.3
57.03443	13.5
57.07082	4.7
59.56451	2.2
66.39740	2.1
66.48871	2.1
67.05180	3.5
67.05509	46.4
69.03418	3.3
69.07072	31.6
70.25947	9.8
71.04993	6.0
79.05493	37.3
81.07059	46.6
83.04987	12.6
83.08617	5.4
85.02950	2.2
85.06547	13.7
87.04448	2.4
91.05489	29.4
92.05797	2.7
93.07050	43.0
95.04966	24.9
95.08613	42.2
97.06524	10.6
97.10123	3.1
98.97581	2.6
101.06039	3.1
105.07029	31.2
107.04959	6.8
107.08614	20.5
109.06522	17.5
109.10178	15.5
113.06018	21.2
117.07021	8.7
119.08582	22.2
121.06514	9.3
121.10140	15.4
123.08050	6.3
123.11713	6.2
129.07036	3.8
131.07675	2.6
131.08571	9.3
133.06435	2.7
133.10120	24.9
135.08104	13.5
135.11751	4.1
137.09607	5.3
139.28035	2.5
143.08571	6.5
145.10098	14.7
147.08105	4.7
147.11699	11.1
149.09566	3.8
149.13251	3.8
151.03969	2.6
151.11208	14.6
157.10161	4.9
159.11693	5.6
161.09712	3.2
161.13281	4.0
163.11198	7.0
169.10175	2.4
171.11723	4.9
177.12805	2.7
185.13231	6.2
189.12776	7.2
195.13803	7.9
207.13757	18.8
214.09877	2.8
217.15883	3.3
227.17999	3.6
245.19014	12.6
251.16536	2.7
253.14305	5.6
263.20105	89.2
273.18726	3.2
291.19550	20.1
309.07608	2.7
309.11108	4.5
309.20657	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2062
Annotation	Soraphen O
Peak:m/z	Relative Intensity
51.55051	1.3
53.03941	4.5
55.01889	3.2
55.05518	18.1
57.03436	1.9
57.07092	2.0
67.05507	28.3
69.03426	1.8
69.07050	5.6
71.04986	2.3
71.07442	2.5
79.05497	48.0
81.03400	2.2
81.07058	17.6
83.04980	3.4
83.08646	9.8
83.94605	1.4
85.06559	1.8
86.14497	1.2
90.69381	1.3
91.05489	18.2
93.07043	17.2
93.86314	1.6
95.04976	7.2
95.08618	21.4
97.06528	2.3
97.10178	11.9
105.04503	2.1
105.07034	11.2
107.04962	100.0
107.08595	18.7
109.10164	18.8
111.08049	2.0
115.05426	3.1
117.07030	9.5
119.08596	21.9
121.06508	1.5
121.10155	8.0
123.08055	2.7
125.09629	10.7
129.06972	4.0
131.08557	8.2
133.10150	3.4
135.08064	48.0
135.11594	2.2
137.09625	8.2
141.09100	4.1
143.08546	2.8
145.10143	6.8
147.08078	8.7
147.11717	2.4
149.09615	5.9
155.10692	9.3
157.10109	2.3
159.08047	2.1
159.10155	4.4
159.11671	2.9
161.09656	3.3
161.13277	1.6
165.09094	3.0
173.11772	15.5
175.11212	1.6
179.88390	1.7
189.11237	3.6
202.65564	1.4
217.48433	1.4
243.13083	1.6
255.17445	1.7
273.18488	19.0
291.19571	24.6
291.22571	2.7
309.07620	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	309.206
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03944	5.5
55.01868	6.9
55.05521	26.4
58.95113	4.0
59.05004	3.8
64.77727	3.7
67.05508	19.8
69.07066	15.8
71.05029	4.9
79.05510	22.9
81.07053	29.6
83.04970	5.4
83.08622	14.9
88.19216	5.0
91.05476	14.2
93.07047	18.3
95.04916	5.6
95.08607	21.2
97.06566	5.2
97.10172	18.8
98.27094	4.0
105.07021	15.2
107.08606	7.5
107.74288	4.2
109.06467	4.9
109.10134	7.9
117.07079	5.5
119.08573	11.0
121.10185	7.3
123.08092	11.0
125.09631	19.3
133.06480	5.3
133.10152	5.5
134.09673	3.9
137.05995	7.8
137.09601	8.1
145.10136	8.3
185.69762	4.1
189.11273	13.0
189.12862	5.3
201.52179	4.6
234.96272	4.1
273.18512	15.4
291.19556	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1334
Annotation	Monocerin
Peak:m/z	Relative Intensity
53.03945	7.8
55.01858	1.7
55.05514	10.9
56.96562	4.5
57.03448	3.0
67.01880	2.6
67.05508	44.9
69.03429	4.3
69.07069	4.7
70.77419	3.3
71.04996	3.9
74.78140	1.5
79.05498	9.7
79.73008	1.3
81.03423	38.1
81.06590	2.7
81.07063	50.2
82.04198	2.9
83.04984	7.3
83.08650	1.6
88.44848	1.4
91.05486	5.8
93.07056	5.0
95.04960	6.5
95.08611	12.4
97.02888	4.3
99.04408	2.2
99.08109	3.9
105.07032	6.1
106.16119	1.4
107.04989	3.4
107.08611	11.3
109.02891	47.5
109.03605	3.3
109.06535	5.2
109.10163	71.5
110.03658	11.1
111.04437	10.9
113.06004	1.9
117.07014	3.0
119.08605	6.1
121.06496	1.6
121.10126	2.6
123.04440	2.0
123.11710	3.5
124.05207	1.7
125.02376	9.2
125.05956	2.2
125.09618	1.8
126.03139	2.2
127.03928	16.9
131.08577	1.7
133.10094	1.7
135.08078	24.5
137.05997	4.4
137.09628	75.8
147.08009	2.6
147.11813	1.8
149.09741	1.9
155.10707	3.8
163.07507	8.5
165.09129	50.3
171.11664	1.8
175.11238	2.2
214.59363	1.5
217.12376	2.4
227.10486	1.5
242.11516	4.9
245.11772	2.4
260.12668	3.3
263.12860	4.1
286.10492	5.7
291.12289	4.6
293.84924	1.6
304.11591	2.7
305.10593	1.4
309.13382	100.0
310.13510	1.5
311.18509	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1335
Annotation	Monocerin
Peak:m/z	Relative Intensity
53.03948	9.5
55.01874	3.0
55.05518	18.7
57.03437	5.8
57.07088	3.5
59.05007	14.7
65.03939	3.6
67.05510	58.9
69.03433	8.1
69.07070	11.2
70.77645	1.4
70.77971	2.2
71.04996	5.6
77.32762	1.4
79.05501	16.3
81.03426	51.1
81.07062	63.0
83.04951	8.8
83.08604	2.3
85.06541	4.0
86.09718	6.4
91.05480	11.6
93.07047	15.3
95.04992	5.9
95.08620	20.5
97.02914	5.6
97.06553	4.7
97.10190	4.0
99.04459	2.6
99.08109	6.0
105.07043	8.7
107.04989	4.9
107.08600	20.6
109.02891	67.9
109.06522	9.7
109.10166	81.7
110.03663	11.5
111.04459	13.0
111.08066	2.3
117.07050	4.4
117.09167	2.6
119.08605	9.3
120.08121	4.4
121.02245	1.5
121.10176	6.1
123.08093	3.1
123.11742	2.9
124.05260	2.0
125.02341	11.7
125.06059	1.9
125.09647	4.2
126.03143	2.8
127.03924	18.9
127.07552	1.9
129.07034	1.7
131.08585	3.5
133.10170	5.1
135.08070	24.8
135.11725	4.2
137.06004	4.1
137.09634	76.9
143.08563	1.9
145.10149	5.3
146.52959	1.3
147.08072	1.8
147.11649	2.2
149.09683	2.6
149.13261	1.6
151.11249	2.9
155.10739	3.7
159.11685	1.8
161.09680	1.9
161.13277	2.2
163.07571	9.5
163.11243	2.1
165.09134	56.8
171.11786	1.6
183.10262	2.3
189.08801	1.5
203.10800	1.6
217.12250	3.0
221.09811	1.7
234.06924	5.1
245.11954	1.9
249.09195	6.4
263.12930	3.3
273.18723	1.7
277.08566	8.7
278.77304	1.5
281.11789	4.3
291.12579	4.6
291.19641	4.0
291.23154	2.1
293.83774	1.9
294.08783	1.7
309.13477	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	308.2222
Annotation	Dihydrocapsaicin
Peak:m/z	Relative Intensity
57.07074	0.4
57.17464	0.3
58.02953	0.4
65.03884	0.3
67.05487	0.6
69.07057	1.0
71.08640	0.7
71.48595	0.4
72.59502	0.3
79.05485	1.0
79.72425	0.3
81.07079	2.3
84.66397	0.3
91.05477	0.7
94.04202	2.8
95.08595	0.9
99.08097	0.4
107.04942	0.6
109.06524	0.8
117.01306	0.3
122.03656	7.1
137.05992	100.0
137.13248	0.7
138.06369	0.6
165.12694	0.6
172.16983	1.5
184.16986	2.4
206.92067	0.4
239.24710	0.3
282.42014	0.3
291.23178	1.7
308.06418	0.3
308.22577	0.7
308.26001	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	20.5
55.05504	7.5
56.05028	3.8
60.04509	3.7
61.02928	6.1
66.70853	2.9
68.99773	2.9
69.03418	5.6
69.07063	3.3
70.06601	30.1
71.48797	2.6
72.08164	19.3
73.02926	4.8
74.06093	3.8
81.03412	4.5
81.07067	2.5
84.04497	8.6
84.08147	28.3
85.02895	8.1
86.09713	20.1
87.05623	2.9
89.03928	6.2
91.05472	10.4
94.06515	2.8
94.40485	3.1
97.02895	6.1
98.98456	4.9
100.11234	6.7
103.03940	5.8
103.05465	4.6
105.07005	4.9
107.04933	5.5
109.02839	3.2
110.07161	3.0
112.08707	3.0
115.05440	8.0
116.07082	7.0
118.04155	3.4
118.06560	2.7
119.04910	6.4
119.34447	2.3
120.08116	8.8
121.08415	3.2
123.04429	7.9
129.06972	7.5
129.10226	11.3
130.06511	4.0
131.04909	7.4
133.06502	7.8
134.09648	9.8
135.04422	26.3
136.07536	3.6
141.06985	3.6
143.04907	10.9
145.02800	5.8
145.06483	5.2
147.04413	40.0
149.05998	12.3
151.03929	28.1
155.01024	4.6
157.06494	14.7
159.04391	11.6
160.05214	16.2
161.05988	53.2
163.03888	28.4
167.05005	3.5
171.04384	11.0
171.07973	3.0
173.05997	44.0
173.12827	2.6
175.03915	21.7
175.07491	6.7
177.05463	36.7
179.03368	14.6
185.05994	16.7
187.03882	25.3
189.05492	66.7
191.03389	4.5
191.07062	3.8
193.04921	4.4
195.06454	4.0
201.05502	39.6
203.07025	26.3
205.04956	11.2
207.06474	5.6
210.98984	7.2
213.05493	35.5
215.07056	4.2
217.04999	24.1
219.06555	35.8
224.96915	5.8
227.07100	4.9
231.06534	100.0
233.04451	2.7
235.05962	9.8
241.04971	6.4
243.06570	3.8
245.07988	6.2
247.05945	3.5
249.02338	2.9
249.07579	31.5
250.10742	6.5
250.91194	2.8
255.01671	3.0
255.06509	7.7
259.06055	4.1
261.07571	10.7
267.03775	2.6
267.06680	3.2
273.07520	40.5
277.07010	4.9
277.52960	2.4
291.08835	22.2
291.13168	6.0
294.08936	4.9
309.10907	5.4
309.14441	9.7
309.18140	27.6
327.00131	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	308.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52500	0.2
56.05033	0.4
56.96565	1.2
58.99602	0.3
60.04508	0.2
61.02911	0.2
63.95112	0.2
67.05503	0.2
69.03424	0.5
69.56101	1.1
70.06593	1.0
72.08152	0.8
74.82459	0.2
76.02228	0.8
79.05476	0.2
81.03431	0.3
84.04504	1.9
84.08151	1.2
85.02900	1.0
85.08466	0.2
86.09695	0.5
91.05497	0.6
93.07051	0.7
95.73100	0.2
98.97591	0.6
101.07149	0.3
103.05477	0.2
105.07030	2.1
106.06471	0.2
107.41249	0.2
110.07150	0.2
110.97610	0.3
112.11265	0.2
116.01694	0.2
116.68945	0.2
116.98632	0.2
117.07033	0.2
118.06574	0.4
119.07328	8.2
127.03858	0.2
127.30753	0.2
128.01671	0.7
128.98636	0.5
129.05579	0.2
129.10223	0.3
130.04993	2.2
130.06512	0.2
131.04883	0.2
134.09656	100.0
135.04433	0.5
135.09972	0.7
135.40233	0.2
146.02721	0.5
146.08067	0.3
146.99669	0.4
147.04448	0.2
147.07639	4.1
154.73761	0.2
156.03529	0.2
158.08057	0.2
158.99684	0.2
159.06435	0.2
162.02231	0.3
163.03894	1.3
165.04297	0.2
173.02948	0.2
178.05040	0.3
179.04837	0.3
182.03622	0.2
188.07143	0.3
191.00218	0.2
193.01714	0.2
200.07152	0.3
216.06613	0.4
237.00639	0.2
237.02892	0.2
246.07617	0.3
255.01640	0.8
273.02872	0.8
290.06158	0.2
291.13412	0.9
308.07428	0.7
308.12927	0.3
308.16040	6.9
308.21725	0.4
327.03729	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2632
Annotation	Crinitol
Peak:m/z	Relative Intensity
53.03937	2.5
55.05269	1.3
55.05512	15.9
57.07076	4.8
67.05505	26.0
69.03432	2.1
69.07071	19.6
71.04973	2.2
71.08621	2.3
71.48534	1.6
79.05499	10.8
81.07058	100.0
83.04973	1.7
83.08628	9.8
84.08128	2.3
85.02886	1.3
85.06530	2.5
88.07642	1.6
89.07967	1.1
91.05487	5.4
93.07048	15.6
95.04951	1.6
95.08608	84.3
97.06515	2.0
97.10168	9.0
98.98432	1.5
99.04433	1.5
101.05965	1.2
105.07033	5.4
105.86897	1.0
107.08591	12.9
109.06545	1.9
109.10162	44.5
111.08059	2.6
111.11714	3.3
113.05965	1.1
119.08590	5.0
121.10139	10.0
123.08047	1.7
123.11713	21.3
123.54832	1.0
125.09616	3.5
127.07526	1.1
131.08543	2.1
133.10117	3.9
135.08049	1.3
135.11676	9.7
137.13263	10.1
139.11147	3.1
144.61118	1.1
145.10136	2.2
147.11671	2.7
149.13300	5.4
151.11197	2.5
151.14807	14.3
159.11687	3.9
161.13214	2.2
163.11157	2.0
163.14798	3.2
165.12752	1.5
165.16353	2.5
173.13327	1.9
175.03835	1.0
175.14868	2.2
175.71855	1.0
177.12717	1.9
177.16447	2.4
179.14270	2.2
187.14745	1.1
191.17860	1.1
193.15915	1.2
193.77710	1.0
201.16405	2.1
205.12405	1.2
206.25166	1.3
215.22018	2.5
223.16928	1.8
224.97867	1.3
233.22586	1.1
237.18520	2.6
251.19919	1.3
259.24597	1.3
271.24243	2.8
275.19885	1.2
289.25226	5.1
307.09677	1.5
307.15204	3.8
307.18979	2.3
307.22910	1.8
307.26437	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.263
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03947	1.4
55.05513	17.8
57.03438	0.9
57.07066	3.7
57.35807	0.9
67.05510	25.5
69.03433	1.6
69.07072	20.1
69.35955	7.7
71.05012	1.4
71.08625	1.9
79.05500	10.9
81.07061	100.0
83.08619	10.6
85.06541	2.0
91.05472	2.5
93.07043	11.7
95.05002	1.5
95.08611	79.4
97.06545	3.1
97.10181	9.7
99.08121	2.1
105.07027	3.8
107.08607	15.4
109.06535	1.4
109.10167	51.1
111.08099	2.2
111.11723	3.4
119.08582	4.1
121.10152	10.3
123.11707	19.2
125.09634	2.4
125.13302	1.0
131.08559	1.3
133.10138	4.0
135.11719	6.9
137.09624	1.1
137.13263	9.6
139.11188	3.0
145.10162	1.2
147.11705	3.1
149.13246	5.3
151.11195	2.0
151.14824	13.3
159.11671	2.8
161.13322	2.2
163.11197	1.5
163.14816	3.9
165.12833	1.9
165.16432	1.4
167.14281	1.5
175.14827	1.0
177.12758	1.6
179.14297	1.3
181.05002	0.9
181.12340	1.6
186.92958	1.0
191.17950	1.5
193.16010	1.0
201.16389	1.7
205.15974	1.0
209.15349	1.7
215.17909	1.8
219.17342	1.4
223.16989	1.5
237.18564	3.4
251.20105	1.9
271.24197	1.9
279.26968	1.8
289.25336	4.0
291.26398	1.1
307.09750	0.9
307.26324	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	307.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.7
53.46302	4.2
55.01869	18.9
55.05519	35.0
57.07079	7.3
59.81826	4.8
65.03941	4.8
67.05509	79.7
69.03416	6.8
69.07066	31.7
69.37452	5.0
71.04974	8.2
71.48720	6.1
79.05498	55.6
81.03403	11.4
81.06597	6.1
81.07060	99.3
83.05002	13.1
83.08617	15.8
85.02908	5.1
85.06540	8.1
91.05495	47.3
93.07051	59.2
95.04977	38.3
95.08624	50.0
97.06526	13.9
97.10166	9.1
98.98477	6.4
103.93110	4.9
105.07033	65.4
107.04934	11.1
107.08606	41.9
109.06529	20.8
109.10144	33.3
113.19594	4.3
113.22701	4.4
116.43678	4.5
117.07017	17.0
119.08595	59.9
121.02872	5.8
121.06500	9.6
121.10148	24.9
123.08092	26.3
123.11706	12.6
125.09621	5.8
131.08588	24.3
133.10170	35.8
135.08055	8.7
135.11707	13.7
137.05966	20.4
137.09615	14.1
138.06331	12.4
143.08501	7.0
145.10132	21.7
147.11661	27.8
149.09618	15.4
149.13304	7.1
151.11183	13.3
157.10162	8.2
159.11714	22.3
161.13277	7.6
163.11182	12.9
165.12756	10.1
165.74789	5.1
169.10110	5.6
171.11765	7.8
173.13327	13.9
177.12808	8.8
193.12335	5.4
197.13452	5.5
197.79405	4.8
215.18086	5.8
229.19479	5.5
247.20540	10.4
257.19101	10.9
275.20062	100.0
282.97415	4.9
289.21667	11.9
307.09830	6.9
307.15475	6.0
307.22809	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	307.2058
Annotation	Callyspongenol B
Peak:m/z	Relative Intensity
53.03937	2.1
55.01851	2.7
55.05492	5.5
63.94004	1.9
67.05515	10.1
67.05804	1.9
67.27396	2.4
69.03448	2.6
69.07066	9.9
69.42560	6.8
69.42980	9.6
71.04980	2.6
79.05502	15.2
80.47610	2.1
81.07061	25.4
83.04992	3.0
83.08573	2.1
86.31537	2.0
91.05489	19.7
93.07044	16.1
93.08051	2.5
95.04974	22.9
95.08612	14.6
97.06541	12.5
103.05441	3.5
105.07044	34.6
107.08619	10.6
109.06532	4.4
109.10166	5.1
115.05421	3.5
117.07024	8.8
119.08595	30.0
121.02931	3.0
121.06502	3.5
121.10152	8.8
128.06256	10.1
129.07014	10.4
130.07771	5.1
131.08574	17.2
133.06544	2.3
133.10152	42.4
135.08141	2.2
138.18007	2.0
141.06992	9.0
142.07799	14.1
143.08577	32.6
144.09361	4.5
145.10143	22.5
147.08076	5.9
147.11739	2.7
153.06990	4.7
154.07767	3.2
155.08551	6.6
156.09337	8.1
157.10159	22.6
158.10956	4.8
159.08081	2.6
159.11673	19.3
161.09624	5.2
165.07014	5.5
166.07726	2.4
167.08559	12.7
168.09331	2.4
169.10164	18.6
170.10901	5.9
171.11707	13.6
173.12007	2.4
173.13266	12.5
179.08554	9.5
180.09392	3.8
181.10098	13.1
182.10973	14.2
182.55861	2.0
183.11716	10.8
184.12498	2.6
185.09608	4.8
185.13260	5.1
187.11272	6.1
187.14810	2.3
191.08485	2.8
192.09341	7.3
193.10150	12.3
194.10936	5.6
195.11674	14.6
196.12512	4.5
197.13274	18.3
198.14024	3.1
199.14868	6.7
201.45232	2.3
205.10236	4.8
206.10905	12.8
207.11691	17.0
207.70187	2.2
208.12506	6.9
209.13260	9.6
211.14880	9.9
213.12637	3.2
217.10155	4.1
218.10945	6.4
219.11679	8.5
220.12521	7.9
221.13263	23.2
222.13976	3.7
223.14824	12.8
225.16310	2.5
231.11711	6.2
232.12596	3.5
233.13290	12.9
234.14023	6.5
235.14923	7.1
237.16434	9.9
239.17969	3.5
244.12553	3.3
245.13344	3.0
246.13986	3.3
247.14854	7.8
248.15550	6.3
249.16389	9.0
251.14410	8.0
251.17949	4.7
259.14847	11.3
261.16504	2.8
263.18011	21.7
265.16071	2.3
265.19684	3.3
274.17206	8.1
279.21179	7.9
289.19510	23.6
292.18454	2.9
307.20587	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	307.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.2
53.98619	0.5
55.01868	1.2
55.05491	1.7
55.08797	0.6
67.05506	3.0
69.03408	1.6
69.07047	1.2
70.06582	0.7
77.03922	0.6
79.05492	2.0
81.07062	6.1
83.04951	0.9
84.08152	1.2
85.02891	1.2
86.09727	0.9
86.37708	0.6
91.05454	2.4
93.07035	3.7
94.06586	0.8
95.04988	1.1
95.08607	4.1
97.06519	0.8
99.04433	0.7
105.07042	1.5
107.08585	2.6
108.08128	1.3
109.06502	1.3
109.10163	2.9
111.08086	1.1
117.07063	0.6
119.08568	1.5
121.06514	0.6
121.10149	2.4
122.06039	2.5
123.06825	1.3
123.11687	2.3
124.07584	8.0
125.09630	1.6
126.09160	5.2
127.03898	1.1
133.10155	1.5
135.08084	0.9
135.11627	0.7
136.07578	63.7
137.09590	0.7
138.09140	54.1
138.70435	0.6
139.09486	0.8
140.07062	1.3
145.10138	0.8
147.09160	0.8
149.13290	1.3
151.11160	1.1
152.07071	17.0
161.02296	0.7
164.07068	100.0
164.37398	0.6
165.07323	0.7
170.08148	2.8
182.08136	21.4
191.08180	2.4
228.86781	0.6
232.09651	0.6
240.88115	0.5
243.06659	1.0
289.07092	1.1
289.12262	1.1
289.15503	3.4
289.21518	0.7
307.06335	1.1
307.09653	1.0
307.12875	3.1
307.16138	1.5
307.22928	0.8
307.26358	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90332	1.9
53.03938	8.6
55.01861	3.3
55.45765	3.0
57.03428	6.7
61.02935	4.8
62.74162	1.7
69.03430	40.5
69.74971	6.3
69.75376	4.9
71.04985	6.9
73.02911	4.2
74.54974	1.9
81.03419	35.3
83.04945	2.3
85.02908	83.6
97.02895	33.0
98.20918	3.2
99.04465	37.0
101.02377	2.6
103.03948	63.1
109.02872	28.5
118.65762	2.0
124.07572	12.2
126.28846	2.0
127.03921	100.0
133.00392	1.9
135.39946	2.1
136.07545	8.6
138.09142	7.0
139.30972	2.2
141.23103	1.9
145.04985	16.9
152.07082	3.9
164.07076	18.6
182.08153	3.1
187.06024	20.0
204.47641	2.1
205.07047	7.4
282.80780	2.1
309.87433	2.6
318.72690	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1288
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
55.01865	2.3
67.05503	0.7
67.99942	0.6
69.03415	0.6
70.06590	1.0
70.93671	1.4
72.08143	0.5
74.75044	0.5
76.42074	0.5
79.05495	1.2
81.32030	0.5
85.02925	1.1
86.09715	0.9
94.06548	0.8
98.06042	1.5
103.03932	0.6
105.03362	0.6
107.08577	1.1
108.04480	1.1
117.07056	0.6
121.02896	1.0
122.06023	1.9
124.07569	0.6
127.03868	0.8
134.88113	0.5
135.08060	2.1
136.07542	1.0
140.07083	2.9
144.08116	0.6
148.07561	0.6
150.05482	0.6
150.09181	0.5
150.95157	0.4
156.07991	1.0
160.07611	2.7
162.09109	0.7
163.08665	1.4
168.06551	2.2
170.05984	0.7
170.09709	0.8
172.11218	0.7
173.07121	0.6
173.10805	0.6
174.09149	1.8
176.07025	0.5
176.10687	0.6
177.06737	0.6
177.10237	0.9
178.08644	14.2
182.08163	1.1
184.07602	1.9
187.08694	1.4
188.07097	3.2
189.01839	3.4
191.08124	0.9
196.09602	0.7
198.09137	1.7
201.06639	1.0
201.10191	3.4
202.08643	5.1
205.09761	3.9
206.08121	2.8
207.02890	1.0
212.07100	1.4
215.11945	0.6
216.10312	3.2
217.09865	0.5
219.07707	1.4
219.11287	5.7
220.09682	1.8
225.10222	0.6
226.08630	2.8
229.09726	6.2
230.08101	3.8
243.11327	1.7
244.09689	3.4
247.10811	11.0
248.09129	0.7
254.08148	0.8
261.12308	1.5
262.10794	1.8
265.11838	14.3
271.10669	1.1
272.09149	1.4
289.11835	16.8
307.06241	6.0
307.12888	100.0
308.13174	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97159	5.6
56.96566	21.6
69.84911	23.8
69.85312	16.3
70.98148	11.0
88.99155	8.0
98.97595	55.3
101.00889	24.9
110.97578	18.4
113.00878	7.2
115.02363	8.6
116.98639	7.8
119.01917	23.8
128.98613	13.6
143.01915	10.4
144.92157	6.1
146.99655	11.4
158.99646	13.2
163.02750	15.3
173.02904	8.5
177.00758	9.1
196.99390	6.4
205.60231	7.9
215.00319	12.8
217.07452	10.0
219.01743	24.8
237.02872	13.9
247.02974	13.7
265.05896	13.6
307.07800	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	307.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10126	0.8
51.92668	0.7
55.05462	0.9
60.41051	0.7
68.39626	0.7
70.06602	3.8
70.85373	0.7
70.86768	1.4
72.08153	1.7
75.17859	0.9
81.03384	1.4
84.08139	1.6
85.02889	2.4
85.40111	0.8
86.09702	1.9
87.00816	2.5
94.06572	3.1
99.04473	1.3
103.03939	2.2
115.05461	1.2
118.78288	0.7
119.04948	0.7
120.08127	1.2
127.03926	1.7
130.06534	96.9
132.04460	25.2
146.06018	6.3
157.07620	79.4
158.06018	100.0
159.06465	0.8
173.07144	3.4
175.08681	51.3
176.07021	0.9
177.95984	0.8
187.06107	0.9
197.07129	1.9
199.08655	2.4
201.06630	6.5
203.08273	5.6
221.09261	3.0
243.07668	11.9
245.09242	2.4
247.07137	2.2
261.08719	40.4
271.07196	2.2
279.06464	2.2
289.08240	9.9
289.11444	1.8
307.06055	2.3
307.09235	3.8
307.12906	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	307.0791
Annotation	Unknow
Peak:m/z	Relative Intensity
70.07436	30.5
79.73885	7.2
91.84822	7.7
134.13953	6.7
167.85350	6.6
307.07632	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	307.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.5
56.05042	0.5
56.65754	0.3
56.96309	0.6
56.96565	9.5
57.03417	0.9
58.38347	0.3
58.99860	0.5
59.00355	0.3
61.02908	1.1
62.65075	0.3
69.03434	1.8
70.06604	3.1
70.98118	2.6
70.99837	0.8
71.04988	0.3
71.47296	0.5
71.95258	0.7
72.08148	1.2
73.02906	0.8
81.03403	1.1
82.99818	2.8
83.04986	0.4
84.04501	1.1
84.08142	4.2
84.96021	1.0
85.02895	2.5
85.06544	0.4
86.09695	1.2
87.04454	0.3
88.99140	0.9
89.00889	0.5
97.01418	2.5
97.02885	1.4
98.09653	0.7
98.97587	12.4
99.04451	0.6
99.10022	0.3
100.99146	1.8
101.00884	21.3
101.05967	0.3
102.00954	0.4
103.00644	1.7
103.02425	1.0
109.02869	0.7
110.07177	0.9
110.97567	4.3
112.99107	0.7
113.00872	3.7
115.00650	0.8
115.01657	0.5
115.02433	7.4
115.08709	0.5
116.98640	3.2
117.02150	0.7
117.03981	0.9
119.00156	1.1
119.01924	30.8
120.01931	0.6
121.01675	1.2
125.00881	0.5
126.98789	0.5
127.00704	0.9
127.02377	1.6
127.03870	0.7
128.07185	0.5
128.98601	3.9
129.00235	0.5
129.04002	2.5
129.10220	1.3
131.00191	0.8
131.01918	7.3
132.01848	0.3
133.01755	1.6
133.03468	10.9
133.05241	1.3
134.99638	0.6
135.03194	1.3
135.04121	0.4
137.02962	3.3
139.02470	0.5
140.98589	0.4
143.00159	0.8
143.01904	10.0
143.02917	0.4
143.08202	0.6
144.98021	0.4
144.99789	0.7
145.01714	2.8
145.03458	5.6
145.05008	0.5
146.05013	0.4
146.99664	3.7
147.01378	0.8
147.03185	0.9
147.05072	2.4
149.02953	1.2
151.04515	0.9
151.06291	0.8
154.05115	0.4
155.01886	4.8
157.01640	1.1
157.03490	4.5
158.99638	1.9
159.01375	1.4
159.03226	0.5
159.05038	1.0
161.02968	11.2
162.03041	0.3
163.02763	5.6
163.04256	0.9
163.06320	0.5
165.00703	1.3
167.01921	0.8
168.99850	4.7
169.03456	0.8
170.99634	1.0
171.01311	0.7
171.05048	0.7
172.97661	0.4
172.99304	0.5
173.01421	0.5
173.02962	7.9
174.03029	0.3
175.00716	0.4
175.02798	1.2
175.04552	2.0
175.06264	0.7
177.00729	1.3
177.02434	2.7
177.06046	0.7
179.02296	0.5
181.03831	1.7
181.05261	0.4
185.02911	2.9
186.99442	0.3
187.00888	8.7
187.02730	2.2
187.04474	1.2
187.06352	1.1
189.00716	1.8
189.02406	0.8
189.04327	0.6
189.06049	0.5
190.98671	0.5
191.02258	0.8
191.04028	3.2
193.03682	0.6
196.99321	2.3
197.02954	0.4
199.00951	0.7
199.02727	0.5
199.04576	0.6
199.06340	0.6
201.00824	0.7
201.02452	1.2
201.06111	0.6
203.04016	3.0
204.03979	0.5
205.00174	0.7
205.01907	3.2
205.03841	2.8
205.05586	1.1
205.07526	1.2
207.01724	1.2
215.00388	11.1
215.03818	0.8
217.01950	0.9
217.03790	0.6
217.05550	1.3
217.07449	1.3
219.01750	5.1
219.03537	3.1
219.07103	2.5
221.03023	0.4
221.05034	4.4
223.04706	1.8
225.57170	0.9
226.07092	0.4
227.04037	0.8
229.01938	6.3
229.04010	0.4
233.01431	1.0
233.05153	0.7
235.06615	3.0
237.02802	5.6
239.06091	1.8
245.05132	1.9
247.02957	18.5
247.06863	1.1
249.08215	1.0
251.00758	0.4
253.01949	0.4
253.07671	1.8
257.05124	0.5
265.03915	1.4
265.05997	1.2
267.09082	0.3
270.04523	0.5
275.06131	0.4
277.07605	1.6
279.53387	0.3
289.04086	2.9
306.59937	0.4
307.07864	100.0
308.08313	0.6
325.08032	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	307.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74913	1.5
58.38700	1.5
61.02901	2.6
69.77766	1.8
70.99858	3.0
71.27613	2.9
77.28144	1.5
78.72481	1.7
82.99847	10.6
97.01395	7.0
101.00893	82.8
103.00602	3.6
113.00871	13.8
115.02444	24.9
119.01934	100.0
121.01652	3.7
126.98763	2.4
127.02423	2.4
127.03912	2.0
129.00284	1.7
129.03960	7.0
131.01921	22.2
133.03479	23.5
137.02965	6.5
143.01907	29.7
144.99821	5.4
145.01669	3.5
145.03458	5.1
147.01402	2.9
147.05028	4.7
149.02951	3.5
155.01933	10.1
157.01643	3.4
157.03514	7.7
159.01379	3.6
161.02969	32.8
163.02628	3.0
163.03844	4.3
168.99811	16.4
171.01404	2.3
173.02992	22.0
174.02988	2.1
175.02647	2.2
175.04567	2.7
177.02408	9.4
185.02950	6.4
187.00887	39.2
187.02556	2.7
187.04529	2.3
189.02507	2.8
191.04024	4.1
193.03485	2.9
196.99300	13.8
197.03067	1.9
201.02435	3.3
203.03990	5.3
205.01996	10.9
215.00375	45.7
217.01952	4.9
217.05652	2.7
219.03560	15.5
221.03081	3.6
221.05096	9.1
229.01930	29.3
233.01459	4.2
235.06775	2.2
239.06111	4.4
245.05025	3.7
247.02998	84.6
253.07755	2.5
257.05191	2.8
265.04037	9.5
270.04517	2.3
275.03922	2.4
277.07721	2.4
289.04047	12.3
307.04941	9.0
307.07867	37.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90268	0.4
53.93999	0.5
54.93837	1.4
55.01859	0.4
55.05518	3.6
55.93530	17.0
56.09355	0.3
56.71132	0.4
57.03424	1.0
57.07062	1.4
67.05511	4.5
69.03429	0.4
69.07073	4.1
71.04965	0.5
71.48315	0.5
72.93761	0.3
78.04698	0.4
79.05507	2.3
81.03419	0.5
81.07059	14.9
83.08630	2.4
84.08140	0.8
85.06535	0.7
91.05491	2.1
93.07050	3.6
95.04979	0.8
95.08615	13.0
97.06528	1.2
97.10177	1.5
99.08093	0.7
102.04673	2.3
104.78883	0.4
105.07030	1.8
106.04237	0.5
107.08596	3.6
108.08955	0.5
109.06525	0.8
109.10154	7.7
111.08067	0.5
111.11668	0.8
115.05466	0.6
119.08594	1.3
121.02832	0.5
121.06503	2.1
121.10143	2.5
122.10503	0.4
123.11716	4.4
125.09623	0.8
130.04141	1.5
131.04945	0.8
131.08591	0.5
133.02885	0.7
133.10152	1.0
134.03633	1.6
135.11734	1.7
137.05968	0.5
137.09662	0.5
137.13300	1.7
142.37296	0.4
143.04939	0.4
145.02826	0.6
147.11697	0.8
149.09660	0.5
149.13246	1.6
150.13672	0.4
151.11244	0.5
151.14830	1.2
158.03639	100.0
159.03976	5.2
159.08038	0.7
159.11705	0.9
161.13203	0.9
162.03111	1.3
163.14799	0.5
173.13202	0.4
175.14780	0.6
186.03133	16.0
187.03908	3.2
189.97008	0.5
191.17999	0.4
194.97165	0.5
195.00943	0.5
205.96649	0.8
207.98227	1.1
209.00655	4.1
209.50909	0.4
213.99803	4.7
214.01515	0.4
218.01178	1.1
219.07945	0.4
220.95386	0.4
222.50572	1.7
223.00407	31.5
223.50592	3.6
231.51163	3.9
232.00941	47.6
232.51079	6.0
234.51193	5.4
234.96877	7.5
235.01222	0.4
235.97589	1.6
237.18481	0.5
238.96371	1.0
243.51741	3.1
245.96149	1.2
247.07487	0.4
248.94812	1.1
252.97980	4.7
255.02478	0.5
259.97385	0.4
263.97357	0.5
271.24097	0.4
273.95511	0.4
289.17990	1.4
289.25299	0.5
290.96988	0.8
291.96695	0.6
306.25177	0.4
306.51797	0.9
307.01459	20.1
307.09564	0.9
307.26349	4.0
307.51663	2.7
315.52145	0.7
316.02094	3.3
316.52078	0.8
327.52725	2.5
328.02698	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.5
55.01881	0.9
55.05516	6.8
56.05028	0.2
57.07066	0.7
60.04527	0.2
65.03940	0.3
67.05510	10.0
69.07074	8.0
70.06596	0.3
70.86895	0.3
70.87253	0.4
72.04512	0.4
79.05498	2.6
81.07062	8.0
82.06573	0.3
82.91161	0.2
83.04975	0.2
83.08624	2.2
84.08137	0.3
85.05293	2.6
86.06054	0.7
91.05481	1.1
93.07047	1.6
95.04961	0.3
95.08617	4.8
96.08111	0.3
97.06518	0.2
97.10150	0.6
98.06062	14.3
99.06895	0.3
100.07658	0.2
105.07037	0.6
107.08598	0.8
109.10161	1.5
110.09686	0.5
112.07613	2.2
119.08591	0.6
120.08090	0.2
121.10161	0.5
122.03650	0.2
123.11726	0.5
124.07606	0.4
125.08434	0.2
126.09152	0.6
131.08572	0.2
133.10121	0.5
134.09705	0.2
135.11676	0.6
137.05991	3.7
138.09128	0.3
140.10706	0.6
147.11728	0.3
152.10757	0.3
154.12302	0.8
159.75388	0.2
166.12309	0.4
168.13828	0.4
180.13911	0.3
182.15388	0.5
194.15440	0.2
196.16995	0.7
196.20631	0.2
204.68083	0.2
208.16925	1.0
222.18564	0.7
224.19885	0.2
236.20033	0.5
238.21451	0.2
250.21748	0.2
306.27924	100.0
307.28214	1.3
311.18570	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
66.04730	0.4
69.07052	1.1
70.93246	0.8
79.03020	0.4
79.05495	0.5
80.20462	0.4
81.07039	0.7
91.05486	0.9
94.04179	2.8
95.08607	0.5
107.08576	0.5
109.10169	0.6
110.50310	0.3
114.09183	0.6
119.10618	0.4
122.03666	6.3
126.09141	0.6
133.10138	1.0
135.11752	0.9
137.05989	100.0
138.06345	1.0
151.11162	0.7
153.12781	1.5
162.19189	0.4
170.15430	2.8
174.46481	0.4
182.15390	3.4
258.91080	0.4
259.63861	0.4
306.20633	1.2
306.60403	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.1
55.05483	0.8
55.93515	1.5
56.05039	1.3
56.96570	6.9
57.03431	1.3
58.06603	14.5
58.99856	0.8
60.04526	5.0
60.08167	60.8
61.02928	0.6
67.05493	1.0
69.03429	2.9
70.06600	5.0
70.98103	0.7
72.08160	3.3
72.93791	1.7
74.06067	1.2
76.15048	0.7
78.95285	0.8
82.06602	0.7
82.99835	4.3
83.04986	0.9
84.04499	2.1
84.08143	3.9
85.02915	4.9
86.09718	11.3
87.05596	1.6
90.94830	0.8
91.05479	2.2
95.04980	0.7
97.02927	3.2
98.21550	1.8
98.97564	4.7
99.04477	0.7
101.00883	49.7
102.00961	1.1
102.05515	1.1
107.04949	0.8
109.02874	0.6
110.07154	2.0
110.97576	1.7
111.00491	0.7
111.04472	0.8
112.08739	1.5
113.00867	0.9
115.08695	0.7
116.07104	0.9
116.98656	1.0
119.01924	100.0
119.04932	6.4
120.02015	2.4
121.06525	1.0
127.03915	1.5
128.10710	1.7
128.98615	1.9
129.10266	1.6
131.00220	0.7
131.01886	1.9
131.96118	1.6
132.02008	0.7
133.06462	0.7
135.04428	1.1
137.02971	20.5
137.05992	0.9
142.03540	1.2
143.01898	1.8
143.96103	1.2
144.01968	1.4
144.95840	1.6
144.98065	1.4
145.01720	0.8
146.99673	0.9
147.04358	5.1
149.01224	0.8
149.96060	1.0
155.01822	1.1
156.02190	1.0
157.97768	0.9
158.03603	1.0
158.97404	1.0
160.08249	4.6
160.24501	0.8
161.02965	2.2
162.03056	1.5
162.99165	0.8
163.03893	6.4
164.04431	1.0
165.04016	0.8
168.02699	0.8
169.01685	0.8
173.03027	1.3
173.12849	12.4
175.11917	1.4
178.09251	1.6
179.05548	7.6
180.06250	0.8
181.03465	2.4
183.05009	1.0
185.02995	0.7
186.03329	1.3
187.02664	0.9
191.03860	0.7
194.04257	2.2
195.05038	2.1
197.03012	0.9
197.06616	4.2
199.04475	1.0
199.97696	1.3
201.12311	2.1
203.03879	1.2
203.05591	2.4
204.04137	1.6
205.03531	1.1
207.05113	2.2
209.06522	0.8
212.05347	1.2
213.00742	1.6
216.04176	1.1
219.05037	10.5
221.06602	32.2
223.02779	1.7
223.04721	0.9
229.68437	0.8
231.01762	3.2
233.99422	2.4
234.99033	1.4
235.04556	2.9
237.06070	13.7
239.07672	14.2
245.05119	1.1
246.05330	1.1
247.04546	13.2
249.02840	1.7
253.05565	3.3
255.07091	1.2
261.03189	0.9
262.01303	1.7
265.05624	35.9
266.05905	0.7
269.00168	0.9
283.06622	8.6
300.97485	1.1
306.00211	0.9
306.04803	1.4
306.11890	20.7
306.15677	2.4
324.12927	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	305.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18784	0.4
53.03944	1.3
55.01871	0.6
55.05513	0.5
57.29319	0.3
59.10774	0.3
65.03947	0.6
66.56652	0.3
67.05499	1.4
69.03429	0.6
69.07053	0.6
70.69623	0.7
72.08148	0.4
77.03921	0.4
79.05492	1.7
81.03454	0.4
81.07056	2.8
83.04977	0.3
86.09726	0.4
91.05483	3.7
93.05807	0.7
93.07046	3.9
94.06571	1.0
95.04958	1.2
95.08606	1.5
96.08131	0.9
97.06531	0.6
97.81783	0.4
98.21469	0.3
105.04588	0.4
105.07031	1.1
107.08595	1.0
108.04496	0.6
108.08149	1.8
109.06488	0.7
109.10151	0.7
119.08567	1.0
120.08078	0.5
121.10133	0.6
122.06038	5.3
124.07600	9.8
125.09620	0.8
126.05514	1.6
131.08586	0.5
133.10172	0.7
135.08031	0.5
136.07578	100.0
137.07907	0.6
138.05542	0.4
138.09114	0.6
140.07021	0.9
145.10152	0.4
147.11685	0.5
152.07071	18.6
159.11644	0.7
161.09660	0.4
164.07066	73.4
168.43845	0.4
170.08142	4.0
182.08121	15.2
231.05051	0.3
287.10452	0.6
287.13895	3.5
292.55865	0.3
305.05594	3.8
305.11255	1.0
305.14822	1.1
305.24628	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1008
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00087	2.9
55.05507	4.1
56.05049	3.2
58.99583	10.9
60.04516	3.4
67.05505	4.0
67.73322	2.7
69.03433	4.1
69.07075	3.9
70.06610	15.3
70.08175	3.0
72.08154	6.0
74.00658	5.9
74.06055	4.3
76.02236	56.0
81.07068	2.7
84.04523	3.2
84.08139	15.5
85.34792	2.6
86.09705	11.9
87.00823	6.2
91.05489	4.0
95.04988	3.8
98.00665	5.1
99.08100	20.0
100.02182	15.2
101.00593	4.6
102.00124	13.2
105.00103	4.3
107.08595	3.1
110.07182	4.8
120.01164	11.7
120.08131	4.4
122.02740	16.0
124.41914	3.1
128.03404	3.5
129.10231	3.3
136.07523	3.5
136.53708	3.0
142.16399	2.7
144.01164	39.0
146.06024	6.1
148.00635	14.7
158.61674	2.9
162.02209	100.0
174.03981	10.9
190.01712	57.5
208.02766	83.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.0
55.01879	0.8
59.05013	1.1
60.96134	0.8
67.05498	2.1
69.03418	1.7
69.07058	1.2
71.48750	1.1
75.49264	0.9
79.05502	1.8
81.07055	2.6
83.05007	0.9
84.08140	1.0
85.06525	0.8
91.05482	4.4
93.07036	4.1
94.06583	1.4
95.04961	2.5
95.08585	1.9
96.08116	1.3
105.07057	1.5
107.08614	1.4
108.04488	0.8
108.08099	2.0
111.08122	0.7
118.06592	0.9
119.08617	1.6
121.10149	1.6
122.06017	4.1
124.07596	10.7
125.09650	1.2
130.05006	1.2
131.04947	2.0
133.10147	0.9
135.11716	0.7
136.07582	100.0
138.09142	1.6
140.07030	0.8
147.04414	2.9
150.05524	1.6
152.07071	20.0
153.01965	1.0
154.37148	0.8
159.04446	1.5
164.07076	79.7
170.08109	5.3
176.14337	3.4
182.08154	14.8
185.07117	1.1
195.09167	1.1
199.08757	0.9
203.03410	15.9
211.08658	4.2
212.09453	10.0
213.10292	4.3
223.12306	2.7
225.10081	3.5
226.10948	2.1
227.11975	0.9
231.05542	1.5
238.60036	0.7
240.09052	1.4
240.12627	1.4
241.09662	0.9
241.13420	3.7
269.12881	23.3
287.13940	4.0
305.05545	21.8
305.10284	8.4
305.14911	2.3
305.18073	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1022
Annotation	Heraclenol
Peak:m/z	Relative Intensity
55.05516	1.4
57.07081	2.5
59.01983	0.2
59.05005	9.0
67.05530	0.7
69.07052	1.0
70.36037	1.0
71.04949	0.3
79.05491	0.5
79.64642	0.3
81.07050	2.2
85.06548	1.1
88.07858	0.3
91.05482	3.2
92.44471	0.3
93.07046	1.6
94.47092	0.3
95.08609	2.4
95.73813	0.3
97.10172	0.5
103.05463	1.8
105.07039	0.4
107.08584	1.9
109.10160	0.9
119.04958	2.1
119.08614	0.6
121.10169	1.5
123.08048	0.3
123.11716	0.7
131.04938	9.1
133.10130	0.5
135.11708	0.9
147.04424	21.0
147.11736	0.6
149.13297	1.8
159.04427	8.3
160.29510	0.3
161.13240	0.4
163.14841	0.6
175.03951	3.0
202.02664	0.4
203.03407	100.0
204.03758	0.9
211.07338	0.3
242.13840	0.3
269.09763	0.3
305.10214	52.4
305.24646	2.0
306.10583	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13356	1.4
56.96570	100.0
57.25965	1.5
60.95832	1.7
69.03422	3.1
70.06587	2.7
70.27522	4.4
70.98125	81.3
71.95269	5.6
72.08149	4.7
72.96045	2.3
73.02917	1.9
76.30139	1.6
81.04523	6.6
82.99834	1.7
84.08157	5.6
84.96045	7.4
85.02892	4.3
86.09676	1.9
88.99166	11.7
95.06117	3.7
98.97588	95.4
100.99191	3.1
101.00880	6.1
106.10053	1.8
110.97575	16.4
113.00854	2.2
115.00676	3.3
115.02449	3.1
116.98637	21.7
119.01913	7.1
124.95484	18.5
124.99127	2.8
125.07107	4.3
126.97070	10.1
127.00696	4.4
127.02388	2.3
127.03945	2.1
128.98615	16.2
131.00221	2.6
131.01894	3.9
131.05579	3.4
134.88316	1.7
134.99677	4.9
140.98596	14.8
142.09767	1.8
142.96536	10.6
143.00169	2.8
143.01866	8.1
143.05615	2.2
143.08171	23.2
144.98114	9.3
145.01732	4.2
145.03484	4.7
146.99609	10.3
149.06566	2.5
152.94945	1.9
152.98598	3.1
154.96521	35.3
155.00162	4.6
155.01910	4.8
156.98122	5.4
157.03485	3.5
158.99678	15.5
159.03267	1.8
161.01225	2.1
161.02979	8.5
161.06601	3.6
162.99174	4.2
165.00720	2.4
168.98076	1.6
170.96017	13.1
170.99704	5.2
172.97601	70.5
173.01248	19.0
173.02966	5.1
173.06625	3.4
174.99190	8.1
177.00784	4.4
179.06096	1.7
179.07607	1.8
182.99608	3.7
184.96126	2.7
184.97617	7.9
185.02983	6.4
185.06668	3.6
186.99162	8.6
188.97099	13.1
189.00737	11.9
190.98640	49.1
191.02324	6.2
193.00270	4.0
197.03012	1.7
197.06670	1.8
201.00746	13.0
202.98691	9.5
203.00362	1.7
203.04039	6.4
203.07724	5.3
205.00217	7.2
206.98132	4.0
207.01819	4.8
208.99684	4.1
212.97105	4.5
214.98650	41.3
215.07678	6.2
217.00371	3.0
219.01772	6.3
220.99713	8.9
221.05067	5.9
230.98112	15.4
232.99712	33.8
235.01241	2.8
244.99785	6.8
245.05109	5.9
248.99214	6.4
251.00685	3.0
263.00751	33.9
275.10004	1.8
281.01825	65.5
299.02899	6.4
305.01764	6.7
305.11063	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.6
55.05517	15.9
56.05028	1.2
57.05812	2.0
60.04525	0.5
60.49290	0.5
67.05509	2.2
69.03423	1.7
69.07071	8.8
69.82512	3.2
70.06600	3.8
71.05008	0.7
72.08160	100.0
73.08499	0.7
79.05531	0.7
81.07051	1.0
82.06554	0.6
84.04523	1.3
84.08157	2.9
85.02907	2.3
86.09725	2.6
87.04491	2.3
88.04057	0.8
91.05477	0.8
93.07047	0.6
95.04996	1.9
97.02909	1.5
97.06567	0.6
98.21478	0.8
99.09229	1.6
107.08590	0.7
109.10153	4.3
110.07172	1.0
111.05579	0.5
114.05563	1.6
115.03935	4.8
115.05542	0.6
117.05747	0.7
118.06552	7.3
119.04990	0.6
119.08604	0.7
120.08128	1.9
122.02732	1.2
123.04496	1.4
127.08703	4.1
129.10280	1.3
130.06567	3.5
132.08124	3.9
136.07587	1.0
137.09663	1.9
140.24005	0.6
142.06485	1.1
142.08630	1.2
143.07318	0.7
144.08078	7.9
146.06021	33.4
148.11292	1.9
151.03914	0.9
152.04269	1.0
159.09192	6.9
165.09090	4.4
170.06093	2.6
183.08716	1.1
183.10265	3.7
185.09271	2.6
187.08694	0.6
188.07079	70.4
205.09738	53.9
252.73389	0.6
258.16217	1.2
287.13828	0.9
304.05499	1.7
304.08932	1.0
304.12042	0.8
304.13156	0.9
304.16635	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	304.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.8
55.54280	0.6
56.04797	0.8
56.05043	12.4
56.96566	1.3
57.03433	1.1
58.06606	4.8
61.02933	3.7
63.04709	0.6
68.05019	2.6
69.03433	1.3
69.47530	1.7
69.47957	2.9
70.06598	13.3
70.74649	0.5
72.08158	5.0
73.02911	1.5
74.02435	1.3
74.06082	1.1
81.04539	1.4
82.06575	0.7
84.04510	1.7
84.08147	1.7
85.02895	3.6
85.07693	4.0
86.06071	14.2
86.09715	1.1
88.03963	0.7
88.91613	0.7
96.08128	0.7
97.02944	0.7
98.09691	0.9
98.20702	1.2
98.97594	3.1
100.03982	4.8
101.00837	1.3
102.05553	6.4
111.09203	1.8
112.50171	0.6
113.00851	0.8
113.07153	0.8
114.05540	51.8
119.01907	1.5
124.07594	5.9
124.08585	1.1
125.07149	1.0
127.03930	1.2
128.07071	2.4
129.06616	4.2
129.10248	0.9
130.04982	1.7
131.01846	0.7
135.04419	1.2
139.08664	2.1
141.06598	0.9
141.10242	8.8
142.08641	4.8
142.09775	2.3
143.01865	1.5
143.08148	1.4
145.02817	0.9
145.09715	2.7
147.01497	0.6
151.08682	1.4
155.01933	0.9
157.09773	4.5
159.11244	1.4
161.03009	1.0
163.03937	4.2
166.02925	0.8
168.06514	0.7
168.11285	3.4
171.11363	0.7
173.02989	0.8
175.03456	1.7
175.11903	0.7
185.09235	100.0
186.07637	4.9
186.09482	1.3
196.10872	2.8
203.10236	3.8
205.04503	2.0
213.03381	1.0
213.53577	1.8
214.11923	1.8
215.00298	0.7
215.10262	2.0
221.02975	4.3
240.13463	4.7
243.30704	0.7
245.02979	1.1
258.14514	2.4
263.04062	1.5
268.12903	2.7
281.05042	2.4
286.13995	45.8
304.07693	2.9
304.14996	8.1
305.12103	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.3
55.05307	0.8
55.05519	9.1
56.05039	12.4
56.96571	8.5
57.03441	2.5
58.06598	5.1
60.05637	1.1
61.02924	2.8
64.97952	1.0
67.05511	1.2
68.05033	4.2
69.03436	4.4
70.02958	1.2
70.06600	17.6
70.98111	1.6
72.08160	100.0
73.02921	2.0
73.08506	1.5
74.02445	1.4
74.06071	1.9
81.03452	2.0
81.04535	7.5
82.42176	0.8
83.06094	1.4
84.04510	14.6
84.08155	8.9
84.96013	1.0
85.02914	8.0
85.07672	3.7
85.08434	1.1
86.06069	13.3
86.09711	9.3
88.04005	1.9
89.03913	2.0
91.05488	1.7
94.06526	0.8
95.06110	1.9
95.08590	0.9
96.04496	1.0
96.08108	1.3
97.02890	5.9
97.65734	0.9
98.06075	0.9
98.09687	1.2
98.97595	14.5
100.03981	5.1
100.07661	0.9
100.11258	2.1
101.00874	2.8
101.07178	1.0
102.05565	7.3
107.04958	2.2
109.02918	1.3
109.42071	0.9
110.06046	4.1
110.07172	3.0
110.97561	2.2
111.05524	1.0
112.08775	1.2
114.05543	40.6
116.07098	1.9
116.98636	4.6
117.03412	1.1
119.01892	3.4
122.06015	1.2
123.04446	1.4
124.07606	8.6
124.08717	9.3
125.07127	2.5
127.03931	3.0
127.04904	0.9
128.07063	2.5
128.98654	1.2
129.06612	3.9
129.10324	2.2
130.05014	3.1
131.01929	1.1
133.06126	1.7
134.99673	0.9
135.04388	4.2
136.07510	1.1
139.08670	1.6
140.07086	2.9
141.01176	1.3
141.10242	8.9
142.08646	5.5
142.09769	17.0
143.00150	1.1
143.01939	2.1
143.11810	3.0
144.12177	1.5
144.98097	1.5
145.02878	3.8
145.09671	1.8
151.08681	1.7
155.01903	0.9
155.04697	1.7
156.07719	1.1
157.07599	1.7
157.09708	4.2
158.99654	1.9
161.01216	1.1
161.02975	2.1
162.99197	1.8
163.03920	21.0
166.09845	1.4
168.11305	2.5
170.96042	1.2
173.03046	1.1
175.10747	16.2
177.00743	1.9
182.03436	1.2
184.10941	1.6
185.09229	86.9
186.07635	2.9
196.10869	2.5
199.04527	1.4
202.46030	1.0
203.02087	1.5
203.04092	1.5
203.10277	3.5
207.01752	1.4
213.53531	1.3
214.11798	2.0
215.10298	2.4
219.01811	2.3
221.02968	12.7
222.02841	0.9
222.05258	1.4
229.11855	8.2
239.04137	1.3
240.13354	4.4
245.02867	1.1
245.05125	1.7
255.01799	2.5
258.14453	2.0
262.04886	1.4
263.03860	4.2
268.12885	2.9
274.08453	1.4
281.05057	5.1
286.14005	37.5
299.06177	1.0
304.05682	1.2
304.14999	14.9
309.08450	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18960	0.4
53.03945	1.0
54.19328	0.4
55.01871	1.1
55.05503	0.7
56.05032	2.7
56.96571	2.5
57.03436	0.7
58.06599	3.0
60.04529	0.5
60.16805	0.4
61.02928	0.9
67.05502	0.4
68.05018	1.1
68.07955	0.5
69.03431	3.3
69.07063	1.4
69.41136	2.8
70.06596	7.2
72.08153	2.6
72.44732	0.4
73.02921	0.6
74.06084	2.0
79.05499	4.5
80.05027	1.2
81.03407	1.6
81.04523	1.8
81.05807	3.3
81.07065	4.5
82.02949	0.5
82.06578	1.7
84.04504	1.9
84.08146	1.8
85.02911	5.9
85.03395	0.8
86.06071	3.1
86.09713	12.0
87.04480	0.9
88.03984	0.6
94.06577	0.9
95.04988	0.4
96.04478	2.2
96.08142	8.3
97.02882	1.8
98.06040	0.9
98.97580	3.4
99.04469	0.8
101.07156	0.7
102.05523	1.1
106.06546	0.8
107.05029	0.4
109.02892	0.6
109.05271	0.5
110.06041	2.1
110.07175	0.8
110.97598	0.6
111.04396	0.5
111.07397	0.4
112.07643	0.9
114.05547	7.1
116.98614	1.2
120.08115	0.7
123.04439	0.7
124.07597	100.0
125.06004	0.4
125.07919	0.5
127.03923	1.3
127.08674	0.4
129.06622	0.7
131.00131	0.5
133.02795	0.5
136.07571	0.8
139.71291	0.5
140.07080	1.3
141.10219	1.8
142.08664	16.9
142.09756	2.6
143.11823	3.1
144.98091	0.7
145.04813	0.5
145.09805	0.6
146.99600	0.5
157.09677	0.8
157.13399	1.6
163.03935	1.2
169.09790	0.4
170.99646	0.4
171.11302	1.2
173.01347	0.5
173.09232	0.7
175.11931	0.6
185.09230	14.9
186.07597	0.6
187.14426	1.8
191.10300	0.5
196.10869	1.0
199.14268	0.6
201.12497	0.8
201.14336	0.6
203.10292	0.5
206.53726	0.4
214.11855	0.6
215.10400	0.5
215.13959	1.1
217.45221	0.5
219.01912	0.7
240.13416	0.8
241.03212	0.5
251.97171	0.7
263.03754	0.6
268.12399	0.6
276.18286	0.6
286.13983	7.6
304.14969	1.8
304.18027	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.0
56.05048	1.8
57.03426	5.3
58.02939	1.6
58.06611	2.1
60.04537	10.7
61.02943	2.9
63.77542	1.4
69.03142	1.5
69.03437	15.8
69.07069	49.1
70.06577	4.0
70.62934	1.9
70.63279	3.1
71.08639	20.5
72.08143	1.9
73.02921	2.1
81.03412	8.0
83.08592	2.1
84.04513	5.9
85.02908	82.3
85.25743	1.3
86.02418	5.9
86.09700	2.2
89.18337	1.4
96.04476	1.7
96.08139	4.1
97.02898	48.7
97.03523	3.1
97.06540	6.7
99.04478	3.6
103.03959	8.6
109.02857	15.0
110.02398	1.6
111.83434	1.5
114.05556	1.9
114.09174	20.1
115.03985	1.7
118.99704	1.7
127.03943	14.1
138.09169	2.0
142.08646	100.0
145.04970	6.9
148.11259	2.7
149.64494	1.5
156.10252	4.1
158.07941	1.6
159.94650	1.6
166.08629	1.7
167.07133	1.6
180.10217	2.0
184.09698	87.7
208.09686	18.3
211.07692	2.6
220.09782	1.8
223.07570	10.4
231.51326	1.5
238.10704	3.8
249.71835	1.7
250.10786	10.4
268.09601	3.7
286.13489	1.9
304.08926	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.6
57.03436	5.3
60.04535	11.0
61.02918	3.7
67.28923	1.3
69.03435	15.8
69.07071	50.2
70.06596	3.6
71.00635	2.7
71.04982	1.4
71.08636	20.4
72.08158	4.3
73.02921	2.1
75.65885	1.3
81.03435	9.0
84.04501	3.9
85.02908	70.9
86.02438	5.7
96.08162	2.3
97.02895	43.4
97.06556	7.0
99.04465	3.6
103.03934	7.3
109.02901	12.9
114.05548	2.5
114.09168	17.6
124.07602	2.1
127.03923	13.8
138.09126	2.9
142.08640	100.0
145.04990	5.5
148.11182	2.3
152.04283	2.3
156.10222	3.9
166.08746	1.6
168.06548	1.6
184.09698	89.3
185.09157	2.8
187.72676	1.6
195.07985	1.7
208.09721	16.6
211.07385	1.8
220.09616	2.3
223.07584	11.2
241.08727	1.6
250.10733	11.2
268.09583	3.6
286.13535	2.2
304.13956	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.9
55.05507	1.9
56.05033	1.2
58.99584	3.1
59.05001	2.1
60.04517	0.7
61.05312	0.6
62.61184	0.6
66.58523	0.7
67.05508	9.5
69.03435	6.4
69.07072	100.0
69.79510	0.6
70.00085	0.6
70.06592	5.5
70.82232	1.3
71.05025	0.8
72.08161	6.8
74.06084	0.9
76.02236	5.7
79.05500	0.7
81.04506	0.6
81.07072	2.0
83.05000	2.8
84.04517	2.5
84.08164	2.7
85.02918	2.7
86.00679	0.7
86.06059	1.1
86.09728	4.3
86.99072	2.2
87.04472	26.9
88.02237	0.7
93.07057	1.9
94.06609	0.7
94.54636	0.6
95.04978	6.9
95.08617	1.7
97.02900	2.0
97.06549	0.7
102.05566	1.4
105.00094	5.4
107.08607	1.6
109.02924	0.9
109.06513	1.3
109.10161	22.9
110.07182	1.2
111.08096	1.2
114.05559	1.9
114.09172	1.6
115.03936	50.8
116.07117	0.9
119.08607	1.7
120.08123	3.5
121.06514	0.7
121.10142	1.3
122.02743	18.4
123.04449	4.1
123.07990	0.6
124.04772	3.5
124.07631	0.6
124.08743	0.8
127.03989	0.7
130.06534	0.9
135.04390	0.6
136.07637	1.1
137.09625	10.1
137.10603	0.8
138.63377	0.6
140.04225	1.1
142.08665	4.2
142.09755	1.6
146.06036	1.2
147.04446	1.7
147.08037	1.2
148.04781	1.2
148.11163	3.1
151.03947	4.2
152.04251	5.2
153.01898	0.8
157.09819	0.8
164.04279	0.9
165.09125	32.6
168.06526	0.8
172.04326	1.5
173.12965	2.0
174.06082	0.9
183.10181	26.6
184.09656	1.3
185.09256	3.7
188.07082	0.8
204.10426	0.7
205.09784	1.4
218.04863	1.3
218.14639	0.7
240.10518	1.1
258.11725	0.7
264.80038	0.7
269.12823	0.9
286.11108	1.4
286.14365	2.4
304.05496	7.0
304.08951	2.9
304.11993	12.9
305.15207	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.2
53.44629	0.5
55.05516	3.4
56.05832	0.5
57.03445	0.9
57.07080	0.7
65.03944	5.0
67.05508	4.7
69.03445	0.8
69.07077	4.2
69.43102	4.2
71.05004	0.7
78.61717	0.4
79.05501	2.4
80.61176	0.5
81.07067	7.9
83.04989	1.6
83.08620	1.0
85.06548	1.3
91.05484	3.7
92.05018	3.8
93.07049	6.5
94.66187	0.5
95.04969	1.3
95.08613	6.6
95.52490	0.5
97.06541	2.1
97.10160	1.5
105.06405	0.7
105.07041	8.3
107.08611	5.7
109.06513	1.1
109.10173	3.7
111.08140	0.9
119.08586	6.8
119.48807	0.4
120.04472	2.0
120.08112	2.3
120.31358	0.5
121.06522	0.5
121.10175	3.4
121.10947	0.5
123.08093	1.0
123.11688	1.6
125.09652	0.6
127.80517	0.6
131.08545	1.8
133.10130	4.5
135.11716	3.3
137.02325	0.7
137.09538	0.6
138.05513	25.8
138.09143	10.4
143.08551	0.7
145.06635	0.7
145.10135	3.0
146.06108	0.7
147.11693	6.4
148.03961	4.7
148.05020	0.8
149.09656	1.1
149.13290	1.8
150.09148	1.7
151.11235	0.9
153.01849	0.7
157.10117	1.1
159.11659	3.2
160.07584	0.7
161.09683	0.7
161.13263	4.0
162.05487	0.5
163.05074	1.1
163.11223	1.1
163.14813	0.6
165.12785	0.8
166.05016	43.2
171.11778	0.8
173.13301	1.3
175.11250	0.7
175.14882	0.9
177.12755	0.9
183.11668	0.6
184.11250	1.9
186.12805	0.7
187.14862	1.3
189.16400	0.6
196.09927	1.5
197.13263	0.6
198.09167	0.7
199.14809	1.1
200.09377	0.8
201.10245	0.7
211.12291	2.1
211.14621	0.9
212.10724	4.4
214.12355	4.1
221.15256	0.5
222.09300	0.6
228.09007	1.3
229.09763	1.2
229.13287	3.0
230.11807	2.8
232.13307	4.6
239.11824	2.2
240.10278	2.1
241.13350	1.0
242.11946	3.4
243.11412	1.0
256.08481	4.1
257.09283	1.8
257.12866	14.0
257.22729	0.7
259.12024	0.9
260.12863	3.5
267.11349	4.0
267.21121	0.7
268.09695	1.2
272.11591	14.7
274.09528	8.4
275.10580	0.8
275.13913	7.9
285.12369	22.9
285.22098	1.7
286.10730	1.2
303.05203	8.0
303.13419	100.0
303.23141	15.1
304.13718	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	13.0
56.96562	17.7
57.03445	13.7
58.91304	10.1
61.02922	36.0
69.03438	51.4
69.63343	71.1
73.02912	22.6
85.02916	85.4
97.02871	32.4
98.20804	19.4
98.97574	55.8
99.60238	10.4
101.00882	13.3
110.97622	16.7
119.01788	12.6
127.03918	23.3
128.02324	13.0
141.06612	37.0
143.01857	16.6
151.03925	13.4
158.99742	14.7
189.00725	13.0
200.04391	11.2
204.02927	16.5
205.57574	10.3
213.03374	39.8
222.60355	10.0
238.77802	10.7
303.08063	52.4
303.10526	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1076
Annotation	1-beta-D-Glucopyranosyloxy-3-methoxy-5-hydroxybenzene
Peak:m/z	Relative Intensity
53.03948	7.7
55.05277	2.7
55.05518	36.2
56.80747	1.5
56.96553	2.7
57.03429	2.1
60.04537	1.6
68.99797	2.1
69.03433	53.7
70.06584	6.1
70.99243	3.3
71.04984	5.0
72.08144	3.8
73.06562	100.0
81.03422	28.9
83.04960	2.2
83.06091	2.1
84.04480	2.1
84.08143	7.4
85.02903	16.6
86.09707	15.3
87.00823	4.8
95.04920	1.6
97.02905	13.2
98.97542	2.7
99.04454	16.7
101.06026	66.8
109.02898	12.5
110.07143	3.7
111.04446	5.8
115.03885	2.3
123.04427	4.3
127.03918	19.9
129.10236	4.4
130.08685	1.4
131.07060	1.7
141.05443	2.0
143.03398	17.7
145.04977	3.9
147.11270	1.8
151.03899	6.5
155.06989	2.4
156.07646	2.5
164.09413	1.7
171.02983	1.8
181.08604	3.0
185.60654	1.5
203.05553	2.7
213.03976	14.1
215.07117	1.5
231.05119	10.3
269.35254	1.5
285.09778	9.1
303.04999	3.2
303.11142	9.7
303.17706	3.0
323.34262	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.05
Annotation	Quercetin
Peak:m/z	Relative Intensity
51.02385	0.1
53.03949	0.4
55.01875	0.9
55.05531	0.1
65.03952	0.7
67.01858	0.5
67.05486	0.7
68.06623	0.1
68.99789	2.4
69.03419	0.4
69.07063	0.3
69.38680	0.7
69.39082	0.2
70.06581	0.5
71.01357	0.2
72.08144	0.2
76.00311	0.1
77.03887	0.2
79.05518	0.3
81.03422	1.1
81.07059	0.1
83.04974	0.2
84.04479	0.2
84.08147	0.4
85.02898	0.4
86.09710	0.3
88.26232	0.1
91.05486	0.7
93.03399	0.7
95.04979	1.4
97.02885	0.3
103.05461	0.2
105.03403	0.6
105.04502	0.1
105.07076	0.2
107.04952	0.4
109.02884	1.9
110.07151	0.2
111.00805	1.8
111.04448	0.5
115.05464	0.4
117.07008	0.3
119.04948	1.5
120.08119	0.1
121.02870	2.5
123.04432	8.8
127.03914	1.0
129.07031	0.3
131.04922	0.4
133.02882	0.2
133.06529	0.2
135.04449	1.2
137.02351	9.4
137.03416	0.7
137.05956	0.4
139.03909	2.6
143.04936	0.6
145.02840	0.4
145.06499	0.9
147.03230	0.2
147.04416	3.8
149.02370	0.9
151.03908	13.1
153.01836	10.3
153.05412	0.4
155.04900	1.1
155.06042	0.3
157.06560	0.2
159.04420	0.4
161.02341	0.2
161.06003	1.3
161.85162	0.1
163.03922	2.2
165.01839	3.5
165.05476	1.6
166.02640	0.5
167.03429	0.1
171.02907	0.2
173.02284	0.2
173.05988	2.2
173.07393	0.2
175.03917	0.2
177.01813	0.1
177.05479	0.4
179.03398	0.8
179.06947	0.3
181.04961	1.1
183.02904	1.5
183.04437	0.9
184.05177	0.2
185.05960	0.2
187.03929	1.2
187.07565	0.2
189.05467	0.4
191.03409	0.5
191.07047	0.2
193.04976	1.1
195.02908	0.4
197.05960	0.2
201.05478	4.3
202.05762	0.2
203.03281	0.1
205.05002	0.5
207.02943	0.3
207.06480	0.7
211.03944	0.4
211.07484	0.2
213.05493	0.4
215.03479	0.4
215.07019	0.3
217.08649	0.3
219.02934	0.3
219.06558	0.5
228.04173	0.7
229.04967	9.6
230.05269	0.2
232.03731	0.3
233.04527	0.2
239.03400	0.5
239.07281	0.1
243.06531	0.2
245.04509	0.2
247.05978	1.1
257.04462	5.0
261.03806	0.1
271.09805	0.1
274.04782	1.2
275.05505	0.3
278.06973	0.1
285.03955	2.4
285.07507	0.6
285.12332	0.3
286.04514	0.1
302.04218	0.2
303.05014	100.0
303.08432	5.1
304.05341	1.7
304.08817	0.2
313.79224	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	303.05
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03935	0.4
55.01860	0.5
55.05507	0.5
56.48936	0.2
65.03924	0.7
66.19379	0.2
67.01855	0.4
67.05505	0.5
68.99789	2.3
69.03424	0.4
69.07064	0.6
69.12581	0.2
70.42403	0.5
70.42776	0.4
75.39745	0.2
79.05522	0.4
81.03412	1.0
81.07049	1.0
83.04976	0.4
85.06515	0.2
89.03415	0.2
91.05473	0.6
93.03403	0.9
93.07044	1.0
95.04980	1.1
95.08602	0.7
97.06527	0.2
99.08090	0.3
103.05472	0.2
105.07024	0.7
107.04955	0.3
107.08584	0.6
109.02895	1.3
109.10151	0.4
111.00805	2.3
115.05428	0.3
117.07050	0.5
119.08582	0.8
121.02888	1.8
121.10143	0.5
123.04440	1.0
123.19727	0.2
127.03888	0.5
131.04990	0.5
131.08615	0.3
133.06476	0.2
133.10158	0.3
135.04401	0.5
137.02354	8.0
137.03418	0.6
137.05959	0.3
145.02914	0.2
145.06482	0.9
145.10139	0.4
147.11720	0.4
149.02345	0.8
149.09613	0.3
151.03882	0.3
153.01839	10.6
155.04895	1.1
157.06471	0.2
161.05963	0.7
163.03966	1.5
165.01842	3.9
165.06975	0.2
166.02553	0.4
173.06018	1.4
177.01750	0.3
179.03377	0.5
183.02888	1.7
183.04442	0.8
183.08061	0.2
185.06004	0.2
187.03918	1.2
191.03464	0.3
195.02850	0.4
201.05481	5.0
205.04936	0.6
211.03880	0.5
213.05481	0.3
219.02856	0.4
219.06573	0.7
228.04198	0.6
229.04974	10.0
238.61394	0.2
239.03528	0.5
243.10840	0.3
247.06055	1.8
257.04462	5.3
257.09952	0.5
257.12469	0.4
274.04736	1.7
275.05371	0.4
285.04062	2.1
285.12317	0.5
285.21988	0.3
286.04877	0.3
303.04996	100.0
303.23068	1.0
304.05386	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41139	0.2
55.01873	0.5
59.49390	0.2
62.97565	0.2
63.69159	0.2
63.69547	0.2
65.03944	0.7
66.72177	0.2
67.01869	0.4
67.05502	0.2
68.99793	2.8
69.82417	0.8
69.82821	0.5
79.32870	0.2
81.03429	0.9
91.25190	0.2
93.03396	0.8
95.04965	0.8
103.05482	0.2
107.04937	0.3
109.02894	1.2
111.00813	2.0
115.05489	0.3
117.07016	0.3
121.02856	1.8
123.04427	0.7
127.03876	0.6
131.04884	0.5
135.04446	0.5
136.39171	0.2
137.02348	8.7
137.03404	0.5
145.02919	0.2
145.06531	1.1
149.02342	0.9
153.01830	11.7
155.04930	1.3
155.06056	0.4
157.06462	0.4
159.04465	0.2
161.06023	0.7
163.03915	1.2
165.00558	0.4
165.01845	4.3
166.02557	0.4
173.05981	1.9
179.03400	0.2
183.02895	1.8
183.04425	0.9
187.03914	0.7
191.03340	0.3
191.07089	0.3
195.02823	0.4
196.67517	0.2
201.05484	5.1
205.04967	0.4
211.03970	0.6
215.03404	0.3
219.02852	0.2
219.06564	0.6
228.04143	0.8
229.04973	10.5
232.03638	0.2
239.03490	0.4
247.06000	1.7
250.32080	0.2
257.04462	5.3
274.04715	1.5
285.03925	2.5
303.05002	100.0
304.05365	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0411
Annotation	Unknow
Peak:m/z	Relative Intensity
70.13346	1.6
78.59606	0.4
82.54964	0.4
82.99870	0.7
83.04543	0.4
96.57412	0.4
98.97599	2.4
101.00897	3.6
116.98676	1.1
119.01926	5.7
137.02924	0.5
140.98825	1.0
158.99890	3.1
172.50475	0.4
177.00960	11.8
178.01099	0.7
179.00722	0.6
182.99918	1.3
194.64645	0.4
200.97722	0.5
201.00978	4.5
217.04141	2.3
218.03629	0.5
219.02031	19.8
220.02177	1.5
221.01900	1.7
225.00891	2.3
240.98856	0.5
243.01988	14.3
244.02150	0.9
259.00079	0.7
261.03079	100.0
262.03232	7.8
263.03220	0.6
279.00751	1.0
279.98438	0.4
282.99976	1.4
284.04742	1.6
284.99893	3.9
285.02786	0.4
285.04376	0.6
301.00928	1.1
303.00836	3.9
303.05121	5.4
320.97751	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0499
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03942	0.2
53.59875	0.1
55.01862	0.5
57.83675	0.1
65.03933	0.6
67.01867	0.4
67.05508	0.3
68.99445	0.2
68.99792	2.8
69.03413	0.2
69.39516	0.9
71.01374	0.2
79.05459	0.1
81.03415	0.8
81.80437	0.1
85.76651	0.1
91.05463	0.2
93.03396	0.7
95.04985	0.7
98.20750	0.2
103.05458	0.2
105.03393	0.3
107.04938	0.3
109.02865	1.1
110.03701	0.2
111.00816	2.3
115.05446	0.2
117.07025	0.3
121.02879	2.3
123.04440	1.0
127.03929	0.3
128.06168	0.1
129.07030	0.2
131.04912	0.6
133.02879	0.2
135.04430	0.5
137.02345	8.6
137.03374	0.5
139.35083	0.1
145.02859	0.2
145.06520	0.7
149.02347	0.8
153.01834	11.1
155.04904	1.2
155.06053	0.3
157.06532	0.1
159.04440	0.4
161.05963	0.8
163.03856	1.3
165.01843	4.2
166.02615	0.6
173.02229	0.1
173.05986	1.8
174.29810	0.1
174.31581	0.1
177.01791	0.2
177.05507	0.3
178.09955	0.1
179.03375	0.4
183.02888	1.4
183.04420	1.1
187.03911	1.1
191.03397	0.4
191.07060	0.3
195.02859	0.6
200.04721	0.1
201.05475	5.2
202.05722	0.2
205.04987	0.5
207.02959	0.3
211.03918	0.5
213.05577	0.3
215.03281	0.2
217.04842	0.2
219.02921	0.4
219.06494	0.8
228.04146	0.7
229.04968	10.9
232.03542	0.1
233.04567	0.2
239.03609	0.7
245.04337	0.2
247.06056	1.4
257.04459	5.6
274.04755	1.7
275.05493	0.5
285.03958	2.7
303.04996	100.0
304.05292	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	5.9
56.05040	1.5
57.03473	0.5
60.04534	0.9
67.05491	1.1
69.03417	0.7
70.06596	5.8
72.08157	100.0
77.17382	0.5
82.10410	0.6
83.63316	0.8
84.04496	0.9
84.08153	5.2
85.02901	3.0
85.08459	0.6
86.09709	24.3
88.02096	0.5
91.05497	0.6
95.04961	1.0
97.02900	2.1
98.20760	0.9
100.07623	1.3
102.05532	1.0
108.08137	0.8
109.02934	0.8
109.04069	0.8
110.07191	1.0
111.50790	0.5
112.06260	0.5
118.08707	0.7
119.04967	0.9
120.08126	1.3
123.04469	2.3
127.03911	1.3
129.10278	1.7
130.06543	1.6
132.10217	6.6
134.06015	0.5
135.04471	0.6
136.07558	1.4
137.02353	1.3
139.03888	1.3
140.07104	1.8
143.11800	68.1
147.04431	0.6
151.03902	4.6
152.07088	1.2
153.01868	1.7
157.13356	5.5
159.17047	0.6
161.06056	0.7
163.03992	0.7
164.07118	1.2
165.01907	1.0
171.11292	26.2
176.98720	0.6
180.09970	0.5
182.08186	3.7
185.12917	2.0
201.05482	0.9
203.13942	1.6
206.08290	1.9
229.04901	0.9
231.17078	2.5
257.04510	0.9
302.11377	1.0
303.05023	15.0
303.08652	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11060	0.7
55.05523	0.7
56.05050	1.0
67.05508	1.2
69.03422	1.8
69.07047	0.8
70.06596	2.9
70.64116	1.7
71.04999	1.0
72.08144	2.2
75.05579	0.7
75.72744	0.6
79.05484	1.2
80.63709	0.6
80.83215	0.7
81.03397	0.7
81.07041	1.1
84.04517	1.1
84.08152	3.0
84.74496	0.6
85.02913	2.4
86.09711	100.0
91.05500	1.9
93.07060	0.9
95.04993	1.1
103.05448	1.0
105.07000	0.8
107.04902	0.6
107.08603	0.8
111.00845	0.7
115.05394	0.6
117.07018	0.8
120.08100	0.7
121.06526	1.0
121.10137	0.8
123.04414	1.0
127.03901	0.6
128.06259	1.1
129.07004	0.8
129.10268	0.8
132.10208	9.8
137.02396	1.0
143.11809	69.0
144.12169	0.8
145.04976	0.9
147.04428	3.6
149.16306	0.6
151.07458	0.7
152.07170	1.0
153.01874	2.6
159.09154	0.8
165.05545	1.6
171.11293	17.0
181.06517	1.2
190.01659	0.7
198.06529	0.7
199.07512	1.6
201.05447	1.4
210.09180	1.1
228.10121	0.7
228.12260	0.8
229.05066	2.2
238.08791	1.2
239.06978	0.8
245.18726	0.9
245.57097	0.7
251.05905	0.7
254.08093	0.6
256.11835	0.9
257.04416	0.7
271.10217	1.0
302.10638	4.8
302.17566	0.9
303.05023	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	302.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.5
55.05505	5.4
56.05036	1.7
57.03423	2.8
61.02924	2.1
62.04495	1.4
65.29398	1.4
67.05478	4.8
69.03419	4.0
69.07042	2.5
69.71179	1.4
70.06593	12.6
70.72704	2.7
70.73026	2.5
72.08157	100.0
75.46265	1.5
78.00883	1.3
79.05472	3.9
81.03416	4.4
81.07044	5.4
84.04494	2.3
84.08140	6.0
85.02904	43.8
86.09176	2.0
86.09705	38.5
93.07072	1.9
94.06544	2.5
95.04964	3.3
97.02901	19.7
99.04449	2.0
102.60783	1.4
103.03947	3.2
106.07407	1.6
108.08115	6.7
109.02876	6.8
109.06514	1.8
110.07162	2.1
112.36690	1.5
120.08086	5.2
122.06042	2.9
123.04418	2.3
125.05972	3.3
126.05515	3.5
127.03018	1.9
127.03883	10.1
129.10214	3.4
130.06506	2.2
132.10202	8.8
136.07576	12.0
140.07080	19.8
143.11801	56.3
145.04976	4.8
150.09193	2.8
151.03888	3.6
152.07059	9.0
154.08630	1.9
157.13385	7.5
163.05937	2.0
164.07047	9.0
170.06096	1.6
171.11285	29.3
178.08609	8.2
182.08136	41.4
185.12866	3.0
188.98772	1.9
203.13866	4.3
206.08102	16.8
218.08192	2.5
231.16907	2.4
248.09161	2.7
295.62250	1.9
303.05042	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	302.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.8
53.60641	4.4
55.05499	6.9
56.39887	4.0
57.03440	7.5
61.02921	4.8
64.48263	4.3
65.38313	4.4
66.84312	5.0
67.05512	6.5
69.03424	13.8
70.06607	7.2
70.92283	10.8
70.92638	4.8
72.08160	46.4
76.79853	5.1
79.05495	8.1
81.03425	10.3
84.04520	5.7
84.08127	11.9
84.12447	4.5
85.02909	100.0
86.09713	22.5
95.04987	6.4
97.02900	41.4
99.66459	4.6
103.03934	7.0
108.08109	19.3
109.02905	11.5
120.08117	6.0
122.06059	10.8
126.05514	8.3
126.09140	7.8
127.03931	18.7
136.07616	25.0
140.07086	52.6
143.11829	26.4
145.04951	17.7
152.07059	18.7
154.08623	9.0
157.13400	4.8
164.07104	22.2
167.45874	4.9
171.11272	14.7
177.64194	5.3
178.08664	21.4
179.24045	5.0
182.08159	97.4
186.09169	5.0
206.08138	46.3
207.08292	5.0
236.08926	5.6
248.09319	7.8
307.38303	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	302.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	1.9
56.05009	1.4
57.03432	2.4
61.02921	1.9
62.99149	1.4
65.03941	3.2
67.05506	36.7
69.03426	18.2
69.07067	6.8
69.98896	5.9
70.06585	5.0
71.54379	1.3
72.08160	2.4
73.02932	2.3
73.97425	1.4
74.06076	1.7
74.11640	1.1
81.03394	5.3
84.04498	1.5
84.08128	5.5
85.02906	41.4
86.09717	7.4
94.06504	1.7
95.04376	2.9
95.04968	55.2
97.02894	38.9
99.04463	1.5
99.10578	1.3
103.03941	3.0
106.54153	1.3
109.02883	9.6
112.07610	37.8
113.06006	4.1
119.81998	1.5
122.06016	1.6
123.04427	3.0
124.07578	2.6
127.03911	5.7
136.07582	3.0
139.03906	1.7
140.07066	100.0
145.05009	3.0
151.03897	4.5
154.08649	8.3
164.06973	1.4
178.08591	3.9
182.08136	65.4
204.36978	1.6
206.08112	11.7
236.09140	2.0
248.09280	8.6
266.10257	2.2
284.11203	1.8
296.69061	1.6
302.12396	2.5
303.08450	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52171	4.6
53.03949	11.0
55.01869	19.5
55.05507	35.0
56.03084	5.1
57.03440	47.0
57.70221	5.0
59.04993	6.6
65.03945	6.2
67.05505	95.6
69.07069	16.3
71.04982	10.8
71.48478	6.3
73.02959	5.8
79.05499	91.1
81.03417	9.5
81.07053	67.2
83.04984	49.7
83.08607	10.7
85.02900	10.1
85.06567	20.4
86.18800	6.1
91.05495	60.4
93.07043	92.9
95.04969	24.2
95.08614	41.1
97.06558	32.9
99.04451	10.2
100.53151	5.1
105.07039	29.8
107.04964	70.4
107.08611	42.2
109.06494	7.0
109.10146	19.6
111.04447	68.7
111.08067	13.6
117.07042	27.5
119.08588	42.1
121.06555	10.0
121.10143	82.8
123.08110	7.3
129.07031	17.6
131.08525	26.2
135.11699	65.4
145.06522	14.9
145.10126	84.8
147.08058	6.5
149.09668	12.8
153.12755	22.1
155.08542	12.8
163.11182	93.3
165.97833	15.0
173.09674	58.9
181.12218	47.2
191.10719	59.8
209.11784	28.7
217.04945	6.1
227.12814	23.8
232.62753	5.9
235.73579	5.3
265.14307	6.0
273.04218	7.6
283.15430	12.2
300.99246	24.4
301.03427	15.7
301.06976	10.0
301.16455	100.0
301.21588	13.2
301.25119	5.7
304.97940	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	301.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52171	4.6
53.03949	11.0
55.01869	19.5
55.05507	35.0
56.03084	5.1
57.03440	47.0
57.70221	5.0
59.04993	6.6
65.03945	6.2
67.05505	95.6
69.07069	16.3
71.04982	10.8
71.48478	6.3
73.02959	5.8
79.05499	91.1
81.03417	9.5
81.07053	67.2
83.04984	49.7
83.08607	10.7
85.02900	10.1
85.06567	20.4
86.18800	6.1
91.05495	60.4
93.07043	92.9
95.04969	24.2
95.08614	41.1
97.06558	32.9
99.04451	10.2
100.53151	5.1
105.07039	29.8
107.04964	70.4
107.08611	42.2
109.06494	7.0
109.10146	19.6
111.04447	68.7
111.08067	13.6
117.07042	27.5
119.08588	42.1
121.06555	10.0
121.10143	82.8
123.08110	7.3
129.07031	17.6
131.08525	26.2
135.11699	65.4
145.06522	14.9
145.10126	84.8
147.08058	6.5
149.09668	12.8
153.12755	22.1
155.08542	12.8
163.11182	93.3
165.97833	15.0
173.09674	58.9
181.12218	47.2
191.10719	59.8
209.11784	28.7
217.04945	6.1
227.12814	23.8
232.62753	5.9
235.73579	5.3
265.14307	6.0
273.04218	7.6
283.15430	12.2
300.99246	24.4
301.03427	15.7
301.06976	10.0
301.16455	100.0
301.21588	13.2
301.25119	5.7
304.97940	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	301.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.1
55.01869	5.6
55.05498	11.7
57.03430	2.7
63.14937	2.3
67.05492	11.6
68.74086	2.5
69.03419	7.4
69.07068	6.5
69.36366	22.1
71.04998	9.2
72.08141	4.5
79.05493	21.8
81.03422	2.8
81.07050	24.5
83.04981	8.5
84.08138	7.5
91.05475	25.1
93.07047	59.7
95.04973	9.7
95.08594	9.0
97.06510	6.5
99.04457	24.3
103.05428	3.7
105.07043	64.9
107.04919	6.5
107.08604	49.1
107.65697	2.5
109.06516	7.5
109.10145	4.4
111.04437	2.8
111.08090	4.3
117.07024	12.0
119.04980	7.4
119.08601	32.2
121.06524	32.2
121.09325	5.0
121.10147	58.2
123.08104	3.9
130.07784	4.3
131.08566	13.6
133.10114	11.2
135.04436	3.5
135.08089	26.0
135.11661	17.8
136.07594	3.2
136.70230	2.4
137.05978	4.0
141.06978	3.5
142.07800	2.9
143.08531	5.5
145.10143	64.1
147.08009	3.9
147.11723	13.5
149.06027	12.9
149.09612	17.4
150.09145	2.8
151.07573	3.4
152.06178	10.8
153.07013	21.8
155.08543	6.3
157.10139	6.5
159.11703	5.3
161.13213	3.5
163.11194	100.0
165.07010	10.9
166.07748	3.1
167.08591	3.5
168.05814	2.5
169.06355	3.3
170.07294	5.3
171.11684	2.8
173.09654	9.7
173.13257	6.0
181.06508	25.8
181.12239	24.3
182.07231	7.4
183.04375	2.7
183.08044	6.3
185.09610	3.0
185.13280	3.8
187.07553	4.2
191.10683	90.6
193.06374	2.8
195.08037	7.2
197.05994	6.9
198.06749	15.3
199.14827	3.7
209.05920	7.0
209.11768	22.3
210.06619	3.5
211.07478	6.1
213.09123	12.5
215.06956	5.4
217.04922	3.6
223.07541	6.2
224.04637	2.6
225.05499	2.7
226.06226	15.3
227.07077	5.2
227.12735	11.9
241.08630	20.4
243.06664	3.9
245.04716	3.8
251.07039	3.3
255.11252	9.1
258.05194	19.1
265.14264	5.4
265.19489	3.2
269.08121	6.6
272.10452	4.1
283.09882	3.5
283.15417	61.2
283.20575	8.0
286.04755	28.7
286.07877	5.0
301.03568	6.0
301.07043	69.3
301.10739	89.6
301.21487	21.7
302.11090	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	301.0708
Annotation	5,7,2'-Trihydroxy-6'-methoxyflavone
Peak:m/z	Relative Intensity
52.54935	0.1
53.03937	0.2
55.01877	0.9
55.05504	0.2
65.03949	0.3
67.01873	1.0
67.05488	0.2
67.21336	0.1
68.02646	0.1
68.99791	2.2
69.03423	0.2
69.07063	0.2
69.17335	1.4
69.38885	0.1
71.04987	0.1
79.05490	0.4
81.03416	0.2
81.07046	0.4
83.04995	0.2
91.05477	0.9
93.07015	0.3
95.04961	0.4
95.08598	0.3
105.03400	2.2
105.07024	0.4
107.04954	2.3
107.08586	0.3
109.10139	0.3
111.04453	0.8
113.13064	0.1
113.64043	0.1
115.05466	1.0
117.07011	0.8
119.08569	0.4
121.02842	0.3
121.06557	0.1
121.10149	0.1
123.00824	0.2
123.04445	1.2
125.02342	0.3
127.41855	0.1
128.06206	0.2
129.06996	0.5
131.08574	0.3
133.10135	0.3
134.03654	0.4
135.04407	1.0
135.08002	0.1
137.02321	0.6
137.05971	0.4
139.03912	0.4
141.07066	0.2
143.04918	0.2
144.05705	0.6
145.06447	0.3
145.10092	0.3
147.04372	0.6
147.08037	0.9
147.11719	0.2
149.02351	0.5
149.05927	0.1
151.03860	0.3
155.04877	0.2
157.06392	0.4
159.11702	0.3
160.05249	0.8
161.02359	5.0
161.05972	2.0
161.09654	0.3
163.03903	2.3
164.04691	0.4
167.03410	19.1
168.05850	0.2
171.03058	0.3
171.04433	2.6
171.07945	0.2
173.13448	0.1
174.06734	0.3
175.03934	1.5
175.07539	3.0
177.05482	0.5
179.03355	0.4
182.07321	0.1
184.05206	0.4
185.05952	1.0
188.04678	2.2
189.09106	0.5
193.04968	0.2
199.03938	0.3
199.07602	0.4
202.06258	0.5
203.07034	9.6
205.04942	0.6
211.07434	0.2
212.04759	0.5
213.05470	0.7
214.06230	0.4
215.07047	0.4
216.04196	3.1
217.04973	0.5
217.08580	1.9
219.06503	0.8
226.06291	0.1
227.07028	1.7
230.05788	1.3
231.06529	30.6
232.06926	0.5
233.08110	0.9
237.03842	0.3
240.04144	1.6
245.08101	7.1
246.08443	0.2
255.06503	1.5
258.05264	0.3
259.06052	3.0
268.03635	0.5
269.07648	0.1
273.07639	2.3
283.05975	2.4
283.20514	0.2
286.04742	0.2
301.07074	100.0
301.21506	1.0
302.07364	1.8
314.15012	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	301.071
Annotation	5,7,2'-Trihydroxy-6'-methoxyflavone
Peak:m/z	Relative Intensity
53.03937	0.3
55.01868	0.5
61.40506	0.2
67.01848	0.8
67.02171	0.2
68.99800	1.6
69.03426	0.2
69.98864	0.5
69.99254	0.4
79.05482	0.3
81.03468	0.2
91.05466	0.8
95.04954	0.3
99.04419	0.3
105.03409	1.7
105.07029	0.3
107.04953	2.2
107.08607	0.2
111.04433	0.8
115.05453	0.8
117.07011	0.4
119.04900	0.3
119.08569	0.4
121.02876	0.4
121.06550	0.3
123.04440	1.3
124.01625	0.2
125.02327	0.3
128.06198	0.2
129.07001	0.3
134.03609	0.6
135.04442	1.0
137.02325	0.5
137.05968	0.4
140.04633	0.2
141.07047	0.3
143.04918	0.4
144.05710	0.3
145.06468	0.3
145.10074	0.2
147.04361	0.3
147.08026	1.0
149.02370	0.5
149.09644	0.2
153.06935	0.3
157.06477	0.4
159.11655	0.3
160.05249	0.5
161.02345	4.5
161.06004	1.7
163.03928	1.9
164.04710	0.4
167.03409	18.7
169.06496	0.2
171.04431	2.5
174.06787	0.3
175.03951	1.4
175.07578	2.6
177.05492	0.3
179.03397	0.4
181.74489	0.2
184.05214	0.6
185.05986	0.8
188.04701	2.4
189.09100	0.5
198.06683	0.3
199.07501	0.3
202.06274	0.6
203.07037	10.1
205.04951	0.7
210.07291	0.2
212.04668	0.7
213.05518	0.5
214.06125	0.2
215.07076	0.2
215.14310	0.2
216.02275	0.3
216.04182	2.6
217.05017	0.6
217.08627	2.0
219.06480	0.5
227.07040	1.9
230.05743	1.3
231.06532	31.1
232.06854	0.3
233.08130	0.8
240.04134	1.5
241.05017	0.3
242.05795	0.2
245.08096	6.8
255.06468	1.8
259.06091	2.8
268.03720	0.5
273.07605	2.3
283.06012	2.3
286.04739	0.2
293.55331	0.2
301.07074	100.0
301.21661	0.8
302.07336	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0708
Annotation	5,7,2'-Trihydroxy-6'-methoxyflavone
Peak:m/z	Relative Intensity
53.03933	0.3
55.01851	0.7
55.05519	1.1
57.03413	0.2
65.03931	0.3
67.01850	0.7
67.05482	0.6
68.99451	0.2
68.99796	2.2
69.03417	0.3
69.07066	0.2
69.55664	1.3
70.06579	0.2
79.05486	0.4
81.03408	0.3
81.07043	0.7
82.06567	0.5
83.04965	0.7
83.08602	0.5
84.08158	0.3
91.05487	1.2
93.07025	0.7
95.04955	0.7
95.08638	0.4
97.06530	0.2
98.21546	0.2
99.04408	0.3
100.11269	1.0
101.11572	0.5
105.03404	2.2
105.07037	0.9
107.04960	2.3
107.08573	0.7
109.06519	0.2
110.06043	0.5
111.04449	1.5
111.06337	0.3
115.05459	1.0
117.07017	0.4
119.04919	0.6
119.08604	0.9
121.02892	0.3
121.06491	0.3
121.10146	0.3
123.00813	0.3
123.04419	1.0
125.02405	0.3
125.09657	0.2
128.06128	0.2
128.07043	0.2
129.07025	0.5
131.08527	0.3
131.67824	0.2
131.78758	0.2
133.02806	0.2
133.10101	0.2
135.04413	1.0
135.08023	0.3
137.02325	0.6
137.05978	0.4
139.03931	0.4
140.04767	0.2
141.06903	0.3
141.11479	0.4
141.61635	0.6
144.05785	0.4
145.06490	0.4
145.10092	0.5
147.04433	0.5
147.08003	1.0
149.02303	0.6
149.05997	0.3
151.04016	0.3
151.07544	0.2
152.06215	0.2
153.01826	0.5
153.07002	0.3
155.61276	0.2
157.06403	0.6
159.07840	0.3
159.11748	0.3
160.05171	0.6
161.02353	4.1
161.05978	2.0
163.03929	2.4
163.11111	0.3
164.04701	0.4
165.05598	0.3
165.06918	0.3
167.03406	19.0
168.03763	0.2
169.06487	0.4
170.07358	0.2
171.04404	2.2
171.08026	0.3
171.11681	0.2
173.05846	0.2
174.06808	0.4
175.03931	1.7
175.07513	2.3
177.05460	0.3
179.03317	0.3
181.06490	0.5
182.15404	0.9
183.15828	0.4
184.05222	0.5
184.48282	0.2
185.05948	0.9
188.04680	2.2
189.09105	0.6
191.03424	0.5
195.08144	0.2
196.05182	0.3
197.05997	0.3
198.06755	0.3
199.03845	0.2
199.07440	0.3
199.18100	0.3
200.18341	0.2
202.06264	0.6
203.07036	9.3
204.66536	0.3
205.04916	0.8
205.16605	0.6
210.14867	0.7
211.15193	0.5
212.04643	0.7
213.05507	0.8
215.07039	0.3
216.04207	3.2
217.04959	1.0
217.08549	2.0
218.66154	0.4
219.06511	0.6
219.16367	1.0
219.66669	0.2
227.07040	1.6
229.04887	0.2
230.05687	1.1
231.06531	30.7
232.06850	0.4
233.08105	0.6
240.04178	1.5
241.04700	0.2
241.08623	0.3
245.08093	6.4
255.06511	1.7
255.11349	0.3
258.05270	3.2
259.06024	2.7
268.03635	0.3
269.08179	0.3
273.07571	1.9
282.69568	0.4
283.05951	2.6
283.20056	0.3
286.04700	4.3
301.07080	100.0
301.21515	1.1
302.07431	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0708
Annotation	Rengasin
Peak:m/z	Relative Intensity
51.02370	0.6
53.03938	1.2
55.01880	6.2
57.03424	0.5
57.07076	1.4
59.04981	1.1
61.20457	0.5
65.03933	1.6
67.01849	0.5
67.05499	1.1
68.80136	0.5
68.99448	1.0
68.99792	13.6
69.03423	1.7
70.06590	2.1
70.07841	0.9
70.08241	1.4
71.08641	1.0
72.08143	0.6
79.01850	2.4
79.05468	1.5
81.03430	3.2
83.04996	1.2
84.08162	1.3
89.51810	0.5
91.05474	1.2
92.99759	2.0
93.03400	0.8
95.04979	6.1
97.02886	1.7
98.20777	0.6
99.00818	2.1
102.93398	0.5
107.04959	10.8
109.02886	1.6
111.04467	3.8
114.09193	1.1
115.27290	0.5
121.02876	33.7
121.03928	1.8
121.10146	0.7
123.00800	2.4
123.04432	9.2
127.11537	0.6
128.06161	0.9
131.04967	0.9
132.10205	3.9
133.02914	0.6
133.10478	0.6
135.04410	7.7
135.11682	0.7
137.02373	4.7
137.05949	1.2
139.03911	100.0
140.33781	0.5
141.01836	9.5
146.11772	0.7
149.02365	0.6
151.03941	1.5
157.06480	0.7
163.03906	15.3
165.01845	97.5
166.02153	0.8
167.03410	0.6
171.08069	0.6
177.05574	0.6
179.03412	21.0
181.06467	1.5
183.02896	52.3
184.03291	0.6
185.05965	1.0
195.02849	3.3
199.07631	1.2
203.22829	0.5
207.02895	3.0
217.04997	1.0
227.07027	2.4
240.23299	0.9
245.04597	0.6
255.06512	8.5
273.03952	1.1
273.07639	2.7
283.06000	1.3
286.04651	0.6
300.28983	8.5
301.03720	1.4
301.07083	23.6
301.14288	0.9
301.21680	0.9
301.29303	9.4
308.74222	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0708
Annotation	5,7,2'-Trihydroxy-6'-methoxyflavone
Peak:m/z	Relative Intensity
55.01856	0.6
67.01847	0.9
68.99784	1.9
71.48642	0.4
83.67778	0.2
85.45038	0.2
85.60779	0.3
91.05473	0.6
95.04954	0.5
105.03400	2.0
107.04958	2.1
111.04450	1.3
115.05437	1.1
117.07057	0.3
123.04447	1.3
133.02872	0.3
134.03615	0.5
135.04381	1.5
137.02321	0.4
137.05959	0.6
144.05722	0.4
145.06477	0.4
147.04433	0.4
147.08029	0.6
149.02403	0.4
151.03932	0.3
156.35664	0.2
157.06494	0.3
160.05171	0.8
161.02348	5.0
161.05977	2.0
163.03935	2.3
164.04671	0.5
167.03412	19.0
171.04428	2.4
174.06699	0.3
175.03943	1.4
175.07530	2.9
177.05444	0.3
179.03275	0.3
184.05219	0.7
185.05968	0.9
188.04691	2.6
189.09070	0.5
202.06239	0.5
203.07039	9.9
205.04965	0.5
212.04665	0.5
213.05449	0.8
216.04199	3.9
217.04976	0.5
217.08607	1.8
219.06493	0.5
227.06976	1.9
230.05734	1.6
231.06529	32.8
232.06883	0.6
233.08049	0.7
240.04176	1.8
245.08115	6.6
255.06520	1.7
259.06064	3.4
259.41699	0.3
268.03714	0.4
273.07626	2.7
283.06012	2.0
301.07074	100.0
302.07401	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.9
55.01857	0.9
55.05507	0.5
56.05015	0.4
56.96568	1.5
57.03447	1.6
60.04513	0.3
61.02928	2.2
69.03429	4.9
70.06598	5.2
71.04975	0.8
71.47842	0.3
71.48235	0.2
72.08151	1.4
73.02920	1.7
73.06560	0.4
77.03908	0.4
81.03416	2.3
83.01336	0.3
83.05000	0.3
83.06136	0.4
84.04514	1.0
84.08147	4.7
85.02908	11.6
85.81507	0.3
86.09699	1.0
87.04476	0.8
91.03960	0.7
91.05481	3.7
93.06491	0.4
93.07050	6.5
95.04956	0.7
97.02895	4.9
98.06060	0.3
98.97577	3.3
99.04467	0.7
101.00876	1.6
103.05476	3.0
105.04554	0.4
109.02874	1.6
110.07162	1.3
110.97575	0.4
113.00871	0.4
115.02451	0.6
115.03963	0.4
116.07081	0.4
116.98641	1.5
118.43845	0.2
119.01917	2.3
119.04935	0.3
120.01965	0.3
120.08115	0.9
121.06507	100.0
122.06853	1.1
127.03927	2.8
128.98605	0.4
129.10255	1.1
131.01891	1.1
133.03481	1.2
134.99684	0.6
136.06198	1.0
137.05962	1.6
138.09143	25.5
139.02470	0.4
140.05661	1.1
143.01935	0.9
145.03503	0.5
145.04996	1.4
146.01308	0.3
146.05949	0.4
150.09158	0.8
155.01833	0.5
155.04759	0.3
158.06654	0.7
158.99681	0.9
161.02943	1.3
162.07663	0.8
163.03935	1.1
167.01874	0.3
168.05177	6.4
169.01682	0.3
170.03139	0.3
171.01389	0.6
173.02995	0.4
175.00836	0.8
177.00813	0.7
178.00992	0.7
180.10233	1.0
181.03632	0.5
187.10849	0.4
188.07799	1.1
189.02393	0.9
193.03265	1.9
197.12862	0.4
199.00911	0.5
201.02559	0.5
202.03944	0.5
204.02809	0.4
211.04559	0.5
217.01967	1.9
219.01744	0.5
219.05164	0.4
220.02202	0.4
221.03069	1.5
223.02840	0.9
246.03752	0.4
255.01605	0.3
257.05206	0.4
258.99710	0.6
259.03070	0.5
260.09726	0.4
264.12268	1.5
277.00851	1.0
277.03983	0.8
282.13361	11.1
293.10883	0.5
295.03378	0.5
300.10059	3.4
300.14462	5.4
318.05389	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2007
Annotation	3-Hydroxy-19-norpregna-1,3,5(10)-trien-20-one
Peak:m/z	Relative Intensity
53.03945	1.6
55.05505	3.0
57.03439	1.2
59.55111	1.2
64.53780	1.3
67.05502	4.9
69.03420	2.5
69.07049	2.9
69.92262	4.6
70.06584	1.7
72.93798	1.4
79.05485	3.5
81.07037	3.6
83.04964	1.9
83.08591	3.5
91.05486	27.9
93.07053	7.2
95.08618	7.8
103.05513	2.1
105.07039	16.7
107.08623	7.7
109.06525	3.8
109.10168	3.5
115.05441	2.9
116.06241	9.8
117.07000	3.4
119.04966	8.5
119.08590	15.8
119.81944	1.2
121.06517	4.1
121.10136	6.3
123.08056	3.2
125.09642	3.7
128.06192	1.9
129.07007	7.2
131.08574	41.6
131.77417	1.2
133.10132	4.9
135.08018	3.0
135.11726	1.6
137.09654	1.5
141.07024	1.6
142.07773	3.6
143.08572	4.8
145.02870	2.4
145.10120	6.3
147.08061	1.6
147.11674	1.7
149.09593	4.9
155.08521	3.1
156.09311	2.3
157.10162	9.5
159.08064	100.0
159.11681	3.9
161.09599	2.8
161.13304	1.4
163.11134	1.5
165.01820	2.1
169.10199	2.3
171.11681	5.5
173.13368	2.0
183.11656	3.8
189.12759	3.5
197.13226	4.5
199.11107	6.8
201.12733	2.7
203.03368	1.8
207.11667	2.8
209.13234	1.5
211.14703	2.0
213.12724	2.4
221.13356	1.3
223.14781	2.6
225.12750	4.5
232.91899	1.2
239.14233	2.6
243.06595	2.0
243.13847	2.3
255.46887	1.2
257.19052	2.4
263.17972	4.2
271.06030	3.6
281.19067	21.8
284.06580	1.6
299.05502	16.2
299.09067	3.9
299.20071	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	299.0915
Annotation	2'-METHOXYFORMONETIN
Peak:m/z	Relative Intensity
53.03899	0.3
65.19544	0.3
67.54966	0.2
69.03421	0.3
69.19463	2.4
70.44881	0.3
91.05479	0.3
95.01326	0.6
98.20710	0.4
105.07029	0.4
118.04144	1.0
121.06535	0.5
122.56997	0.3
129.21869	0.2
133.06483	1.1
135.04445	0.7
137.02365	0.4
137.05994	3.3
138.03120	2.4
140.90004	0.3
155.03300	0.3
157.06464	0.4
158.02481	0.2
158.03667	1.7
163.03914	2.6
166.02626	5.4
167.03375	1.7
168.05771	0.4
169.06487	0.3
183.08037	0.3
184.03696	2.6
185.06064	0.6
193.04921	0.5
197.05997	0.5
199.07622	0.8
200.08339	1.0
201.05563	0.3
211.07542	1.1
212.08232	0.3
213.05443	0.7
224.04712	0.9
225.05530	0.6
227.07036	7.1
228.07793	1.5
239.07043	0.8
240.07945	0.3
241.04985	0.7
243.10179	5.8
252.04089	0.3
255.06508	4.1
256.07297	9.0
257.07956	0.3
266.05823	0.8
267.06522	3.6
282.27927	0.8
283.06042	4.6
284.06781	8.9
299.09143	100.0
300.09503	1.8
300.12457	0.3
317.19565	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	299.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.6
55.93528	0.6
56.06345	0.4
56.96551	1.1
58.99866	0.5
69.03419	0.6
69.65166	1.4
69.65594	1.3
69.96169	1.9
70.95872	3.5
82.99857	0.8
83.04980	2.9
83.08606	1.0
85.01394	1.4
88.96925	0.7
98.20830	0.6
98.97592	8.1
99.04469	0.6
101.00883	8.0
102.00957	0.5
103.02455	4.8
104.10426	0.4
111.04428	1.9
113.05994	1.6
116.98624	4.4
117.98954	0.6
119.01929	16.4
120.02000	0.7
121.03497	1.0
125.04499	1.1
127.07550	1.9
129.03954	0.7
131.96112	1.6
132.09193	0.4
132.95801	0.5
133.03532	0.5
134.99649	1.1
137.02957	2.5
137.05917	0.5
139.06064	0.6
141.03995	1.4
143.05542	6.4
145.03473	7.5
147.05031	5.3
149.97200	1.3
150.96895	0.7
155.05557	1.6
155.07028	15.6
157.03474	0.5
157.07117	6.2
158.99860	0.6
159.05034	1.4
161.06606	6.2
163.04518	6.6
165.06117	2.3
167.05479	0.8
169.03482	0.6
169.07101	4.6
171.05081	2.6
173.06599	1.3
174.97685	1.6
175.04662	0.4
175.08185	8.2
177.00922	3.0
178.01064	2.7
179.00723	0.9
183.05078	1.0
183.08691	1.4
185.06601	8.6
187.04630	2.1
187.06439	0.4
187.08171	11.9
189.06104	14.5
190.95073	0.8
191.94965	2.6
192.98701	1.3
195.05023	1.0
201.06090	1.1
201.09718	2.2
203.02505	0.7
203.07642	3.0
204.02637	0.6
205.05521	0.5
207.07224	0.8
207.94432	1.0
208.96019	0.9
209.96062	3.6
210.95941	1.0
211.04559	6.4
211.08121	1.4
213.06110	7.8
213.09685	4.4
214.95650	1.4
219.02007	4.8
220.02168	4.7
221.01837	1.2
222.02066	0.8
229.05663	3.0
231.07201	2.7
231.10791	1.0
232.01918	0.6
232.96556	2.9
233.96060	5.1
234.95793	0.8
237.06134	1.7
239.07675	1.1
239.11728	0.4
243.01875	0.6
244.02206	2.1
250.03285	0.7
250.97482	1.4
251.97122	4.0
252.96849	1.1
255.07216	3.3
255.10756	4.9
256.96756	3.3
257.03607	0.7
257.08737	5.7
257.96332	0.9
258.99658	3.3
261.02975	4.3
262.03210	13.8
263.02927	1.2
274.03189	1.2
274.97647	6.0
275.04279	2.0
275.09610	1.0
275.97183	15.4
276.04706	3.3
276.97061	2.3
277.00729	2.9
277.03696	0.5
278.02643	1.4
290.02621	0.7
292.98373	0.9
293.04944	2.0
293.98218	7.6
294.05353	0.6
294.98056	1.8
298.97812	9.2
299.09763	100.0
300.10034	1.7
302.02817	2.7
308.03763	1.2
316.98856	12.7
317.04904	8.3
317.10770	4.0
317.99118	0.8
320.03723	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0555
Annotation	Sophorophenolone
Peak:m/z	Relative Intensity
51.02378	0.4
53.03941	0.8
55.01878	10.6
59.05003	1.1
63.52368	0.2
65.03937	0.7
67.01868	0.3
68.99410	0.2
68.99790	5.9
69.03427	1.5
71.15383	0.5
79.01859	3.1
81.02980	0.3
81.03421	3.6
92.99770	2.0
97.02897	1.4
97.06544	0.4
99.00825	3.1
107.04948	0.9
109.02880	1.3
111.00802	0.3
115.05431	0.5
121.02891	0.5
121.06518	1.3
121.07274	0.2
123.00795	4.2
129.86884	0.2
131.04921	0.4
135.04407	0.6
137.02347	6.4
141.01837	17.5
141.06998	0.9
147.00754	0.4
147.04420	0.3
155.03336	0.4
155.05020	0.2
157.06476	0.2
165.01846	99.2
166.02119	0.5
169.06482	0.7
171.04387	0.7
175.03951	0.3
183.02902	33.8
184.03291	0.2
185.02321	0.2
197.05984	2.9
199.03925	3.1
201.05481	0.7
203.03423	0.5
213.05598	0.3
217.44469	0.2
224.08394	0.2
225.05449	1.6
227.03397	1.6
229.04979	1.5
243.06583	0.2
245.41489	0.2
253.04984	4.1
255.06612	0.8
257.04654	0.2
271.06021	0.2
281.04471	32.5
282.04907	0.3
299.05521	100.0
300.05835	1.5
321.19086	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1076
Annotation	Norcularicine
Peak:m/z	Relative Intensity
51.02383	0.4
53.03951	2.7
55.01873	0.7
55.05050	0.4
65.03930	0.5
69.36031	1.7
69.36454	1.4
77.03957	0.4
79.05511	0.6
80.05028	1.3
81.03412	0.4
86.09702	1.1
91.05484	10.7
93.07050	15.7
95.04977	2.3
103.05471	13.0
105.04536	1.5
112.04541	0.6
121.06512	98.0
123.04400	0.7
131.32214	0.4
132.04465	0.4
136.06200	2.0
150.05505	5.2
178.05006	100.0
179.05309	0.7
298.10757	53.7
299.11041	1.0
304.91431	0.4
312.29181	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44388	1.2
53.03937	1.9
54.06383	1.2
55.01878	6.6
55.05511	4.2
57.03441	9.8
61.02916	1.5
67.05513	9.0
69.03432	2.7
69.07076	17.7
70.02962	1.3
70.06594	4.3
70.07206	1.3
70.07538	5.2
71.04991	1.6
72.04523	42.4
72.08154	1.2
73.02924	12.9
78.81249	1.2
79.05495	12.2
81.03416	2.1
81.07063	17.9
82.63870	1.0
83.04967	3.1
84.04530	2.7
84.08144	2.5
85.02911	16.7
86.09704	4.7
88.85259	1.2
91.05484	12.1
93.07056	13.2
95.04970	12.0
95.08615	4.6
97.06567	6.1
103.05452	2.8
105.07037	4.3
107.04964	7.8
107.08592	5.3
108.91954	1.3
109.06525	12.3
110.07237	1.8
111.04454	6.0
111.08062	2.8
112.03977	2.4
113.02381	1.4
114.05521	3.2
115.05507	1.7
117.07029	6.4
119.04868	1.4
120.08106	2.2
120.68508	1.3
121.06522	7.0
123.04394	1.9
123.08105	2.9
124.11248	1.9
125.06057	1.4
125.09615	1.4
126.01086	8.0
127.02623	1.5
127.07527	1.8
128.03438	5.5
135.04456	1.9
135.08067	8.7
136.06203	4.9
136.07518	1.2
137.05994	3.2
137.09595	1.6
139.07535	13.8
140.03450	3.6
140.10704	8.0
142.04997	1.9
142.12285	5.6
144.68365	1.1
144.69598	1.4
145.06512	1.9
150.09126	1.3
153.09105	2.3
154.05022	3.5
163.07565	11.1
165.01901	2.4
165.09160	2.6
166.05006	2.5
170.04543	2.0
172.05998	2.1
181.08612	61.4
182.08147	2.0
184.06070	2.3
193.08536	1.9
199.09673	90.1
200.10062	2.1
208.09738	3.9
226.10762	100.0
252.07239	1.8
252.09950	1.3
271.73764	1.2
280.11823	4.8
298.07959	2.5
298.12973	17.7
298.23877	1.8
299.05551	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	297.2427
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
51.33113	5.0
55.01876	75.8
55.05515	39.7
57.03433	7.0
57.07070	22.1
67.05512	62.3
69.07073	100.0
70.93292	9.9
71.05005	6.4
71.08636	12.5
79.05504	47.6
81.07064	76.4
83.04979	23.7
83.08630	53.3
91.05476	16.4
93.07047	61.3
95.08618	56.7
97.06534	18.3
97.10184	16.6
107.08607	38.8
109.10166	38.8
111.08112	8.9
119.08617	13.7
121.06550	6.2
121.10154	33.5
123.11712	15.0
125.09672	7.1
130.69090	5.8
131.08606	9.4
135.08086	16.5
135.11678	33.9
137.13266	12.8
149.09683	10.0
151.14767	10.0
153.09113	9.9
153.12750	61.4
159.11755	7.2
161.13251	7.2
177.16585	5.9
183.13829	14.4
219.10254	8.5
233.22624	21.0
243.21185	17.2
251.23773	15.6
261.22220	30.4
279.23227	87.7
297.18314	9.8
297.22165	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	298.0971
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
51.43417	0.2
53.96964	0.2
56.57675	0.2
61.01158	5.1
69.03438	0.5
69.07059	0.2
69.35994	0.2
70.06578	0.4
70.99005	0.3
70.99339	0.4
72.08150	0.2
75.02717	2.7
79.45191	0.2
84.04530	0.2
84.08138	0.3
94.04061	0.6
97.02895	1.6
103.02167	0.2
119.03577	1.2
120.08081	0.2
136.06198	100.0
137.04594	0.3
137.06538	0.4
145.03133	1.3
163.04234	1.5
171.16266	0.2
173.70403	0.2
252.07414	0.2
280.10437	0.2
280.15405	0.4
298.09772	3.6
298.13080	0.3
298.16449	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2426
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
54.77638	4.8
55.01876	61.8
55.05513	35.7
57.03462	6.7
57.07077	12.3
65.54120	5.4
67.05515	67.9
69.07076	50.8
69.79799	28.8
79.05492	36.9
81.07063	100.0
83.04995	24.2
83.08622	19.1
84.13475	5.1
85.06563	7.9
87.70679	5.2
91.05511	10.1
93.07050	32.4
94.75109	5.9
95.08607	71.6
97.06561	8.2
97.10200	13.4
105.07034	6.5
105.44408	5.4
107.08616	22.4
109.10166	38.7
112.98621	6.2
119.08605	8.1
121.10129	26.6
123.11745	14.6
125.09626	41.1
133.10165	7.9
135.11734	18.6
137.13277	18.4
145.10114	7.2
147.11717	7.1
149.13277	9.7
151.14807	6.2
153.12782	5.5
177.12793	6.0
177.55815	5.8
181.12352	8.1
233.22623	6.2
240.94064	5.3
251.23799	15.2
261.22171	9.0
279.23193	68.9
289.19208	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	297.2426
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
54.13346	1.1
55.01865	2.2
55.05516	8.7
57.03444	7.0
57.07079	19.6
67.05515	20.5
69.07076	10.7
70.92022	2.5
71.01337	6.2
71.05002	1.8
71.08635	13.0
74.06864	1.3
79.05505	7.8
81.07067	25.6
83.08624	5.1
85.06541	1.5
90.16980	1.3
91.05478	2.4
93.07053	5.7
95.08608	25.0
97.10164	4.9
99.04443	1.8
99.08074	1.6
103.27638	1.2
105.07043	1.8
107.08609	2.8
109.10166	10.2
113.05987	3.0
119.08507	1.7
121.10150	6.3
123.11686	3.9
127.07598	2.0
135.11690	3.8
141.12804	8.0
151.14894	1.8
153.12759	1.5
169.15889	14.1
183.13823	100.0
233.22615	1.7
251.23738	23.8
261.22360	2.3
270.48782	1.4
279.23264	5.3
297.22403	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	297.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.2
55.01886	2.2
55.05520	12.4
55.77682	1.9
57.03442	5.0
57.07078	4.7
65.03944	2.9
67.05509	73.0
69.07073	12.1
71.48988	2.8
74.09700	2.0
79.05497	74.8
81.06593	4.6
81.07064	78.0
81.87312	2.2
82.07396	2.0
83.04987	3.0
83.08614	8.1
85.06573	2.2
91.05480	38.3
91.12659	2.2
93.07050	87.3
95.04980	5.8
95.08614	86.0
97.06508	10.9
99.08113	4.8
105.07037	39.8
107.08600	71.9
109.06511	5.0
109.10162	22.5
110.42484	2.0
111.08106	7.7
113.09653	3.3
115.05504	3.0
117.07050	14.9
118.16057	2.1
119.08584	29.8
121.10152	67.7
123.08086	3.1
123.11703	4.6
125.09624	3.6
129.07008	4.8
131.08575	44.6
133.10126	8.7
135.11713	7.6
143.08524	6.0
145.10123	45.2
147.11722	3.8
149.09644	2.5
155.08600	2.0
157.10233	3.1
159.11732	13.7
161.13257	5.0
163.11270	2.2
163.14830	2.6
177.12843	2.8
177.16394	12.6
185.13347	4.2
187.14827	100.0
189.16412	6.0
191.45284	1.8
205.15880	52.6
223.16841	2.5
245.12613	2.2
277.13797	3.0
279.19559	9.3
294.39459	2.1
297.21976	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	297.076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.4
55.05514	0.4
57.28939	0.3
58.08941	0.3
59.08961	0.3
65.03932	1.2
66.16103	0.3
67.05508	4.5
69.07065	0.4
70.89735	0.3
71.48328	0.4
77.34837	0.3
77.88865	0.3
79.05482	0.7
81.03420	1.1
81.07063	1.0
91.05491	0.8
93.03413	0.5
93.07063	0.9
95.04970	100.0
95.08618	0.6
105.07037	0.8
109.10172	0.5
115.05489	0.6
119.08631	0.5
131.04951	1.3
133.06467	0.4
143.04872	0.5
143.08562	0.5
145.02866	0.5
147.04416	1.2
157.02905	0.6
159.04460	1.2
173.02304	0.4
173.06047	0.4
185.06082	0.4
187.03882	2.7
203.03404	5.1
213.05455	0.4
215.03459	1.1
227.06992	0.5
241.08635	1.2
243.06607	1.6
255.06587	1.1
269.08182	1.2
296.25659	1.1
297.04352	0.7
297.07559	3.8
297.18475	0.7
297.22491	0.6
297.26044	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.4
55.01870	4.9
55.05506	9.3
57.03438	5.6
57.07080	5.5
57.89063	2.7
67.05145	2.5
67.05508	50.7
69.07063	10.3
71.08643	2.9
71.48550	4.2
79.05495	49.4
81.03412	2.6
81.06591	3.7
81.07059	58.6
83.08615	6.9
85.06541	3.7
91.05486	31.8
93.06487	3.7
93.07049	57.9
95.04972	100.0
95.08614	59.7
97.06538	7.3
97.10169	3.3
99.08101	5.9
100.11267	2.6
105.07036	27.0
107.08596	49.1
109.06530	4.5
109.10173	17.6
111.08096	3.4
113.09647	5.3
117.07010	10.1
117.13926	2.1
119.08601	19.9
121.10150	42.5
123.08060	7.1
125.09628	4.2
131.04866	2.5
131.08577	26.0
133.10106	8.0
135.11681	5.8
143.08629	2.2
145.10135	30.2
147.11642	5.0
159.11723	7.4
161.13292	3.9
171.11729	2.8
177.16373	7.6
178.05049	3.0
185.13255	2.2
187.03957	3.2
187.14828	60.7
189.16400	5.7
203.03401	7.5
205.15880	32.6
223.17036	2.6
243.06435	5.0
269.08047	3.4
279.19547	4.6
279.23114	4.7
297.04279	4.3
297.07550	17.5
297.18365	5.1
297.22159	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	297.0608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.4
55.05508	1.1
56.05015	0.9
56.96568	5.0
57.03424	0.9
58.06618	0.8
60.04538	0.7
69.03413	1.7
70.06592	3.1
70.64232	2.4
72.08172	5.0
73.04772	1.1
74.06081	0.6
79.05495	2.4
79.05945	0.7
83.04981	0.8
84.04520	1.4
84.08131	3.9
85.02905	2.4
86.09689	1.0
89.03928	12.7
89.06033	1.7
91.05482	1.2
93.03423	1.0
95.04956	1.1
97.02889	1.2
98.20797	0.8
98.97002	1.0
98.97582	6.9
100.11246	3.9
103.03941	1.1
105.03392	1.8
107.04971	5.5
110.07149	1.8
110.97582	1.6
111.04437	4.2
116.98634	2.0
117.03391	14.6
117.13912	1.9
119.04922	1.1
120.08128	2.5
121.08430	1.2
123.04423	4.1
126.09168	1.4
128.98654	0.8
129.10327	0.9
133.02873	2.6
134.99644	0.7
135.04428	30.4
136.06218	1.9
136.07588	2.7
139.03918	4.8
145.02849	15.9
145.04021	1.0
151.03906	1.3
152.07082	1.1
152.46651	0.8
152.47917	0.7
158.99588	1.1
163.03917	100.0
164.04196	1.2
165.05431	0.9
166.07278	1.9
176.96858	0.7
193.01656	1.4
209.01250	1.3
211.02814	0.9
236.12846	2.6
237.00748	1.7
237.02789	1.4
238.13295	0.8
251.17619	0.8
255.01817	7.9
260.97278	1.1
266.99924	1.6
273.02863	6.4
279.16956	1.7
283.03033	1.4
297.02847	0.9
297.11420	0.9
297.14450	2.4
297.18100	4.7
297.21039	0.9
299.06143	3.8
315.03940	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.2012
Annotation	Spirasine IX
Peak:m/z	Relative Intensity
50.14236	0.3
51.02378	0.6
53.03945	2.7
62.89791	0.3
67.05503	0.4
69.07057	0.3
69.58111	1.8
77.03941	0.8
81.03414	0.3
81.07069	0.5
91.05479	10.2
93.07049	17.8
95.04984	2.6
95.08603	0.5
95.31326	0.3
103.05470	12.4
105.04539	1.6
118.06548	4.7
120.50272	0.3
121.06506	100.0
122.06826	0.7
130.06598	0.4
132.08092	1.2
133.08862	1.0
146.09616	1.7
147.10361	0.3
176.14345	67.0
177.14673	0.8
245.21133	0.3
296.20093	92.0
297.20392	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.2225
Annotation	Stemaphylline N-oxide
Peak:m/z	Relative Intensity
50.22340	1.1
54.95601	1.1
55.05508	3.1
56.66039	1.2
57.07087	9.4
59.49709	1.2
67.05519	6.1
69.07052	3.7
70.06605	11.3
70.08295	2.7
70.08691	3.4
71.08640	11.3
79.05498	3.3
81.07071	8.3
83.08626	2.1
85.10172	3.6
91.05457	1.2
91.18317	1.1
92.64031	1.1
93.07063	1.4
95.08621	9.1
96.08150	8.1
96.08674	1.2
98.20872	1.6
106.06544	5.2
107.08604	1.6
114.09150	2.7
116.34724	1.2
124.07597	4.0
142.07591	2.3
142.08652	40.6
168.53491	1.3
232.20625	2.1
250.21724	29.4
278.21960	2.8
296.06161	1.3
296.22244	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2271
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03943	7.9
55.01879	26.1
55.05277	3.6
55.05518	53.1
57.03440	5.2
57.07072	9.6
57.10837	3.1
60.43129	3.5
66.92429	3.4
67.05511	80.2
69.03421	9.9
69.07074	50.2
71.05006	7.4
71.08640	9.0
79.05502	46.0
81.03415	19.2
81.07066	86.2
83.04982	17.4
83.08637	24.2
85.02924	3.7
85.06542	5.9
91.05473	26.4
93.07051	62.3
95.04977	22.3
95.08616	83.9
97.06536	15.3
97.10178	18.2
99.04451	4.8
99.08075	8.1
100.11250	8.8
105.07042	26.1
107.08611	30.4
109.06501	7.4
109.10165	33.2
111.04373	3.5
111.08090	6.5
111.11697	3.9
113.06020	4.9
113.69186	3.4
117.07014	5.5
119.08604	33.1
121.10153	27.7
123.04396	4.6
123.08090	41.9
123.11693	8.3
125.09647	16.1
131.08606	5.5
133.10172	19.2
135.11713	19.6
137.09633	40.7
139.11180	24.2
143.08604	6.0
145.10117	8.2
146.06033	6.4
147.11694	15.5
149.09546	4.2
149.13275	9.8
151.03946	8.5
151.07512	6.2
151.11188	14.7
153.12762	8.0
157.10060	5.0
158.10765	3.4
159.11693	6.9
161.09631	4.0
161.13225	7.0
163.11241	3.5
163.14787	4.9
165.09161	4.8
165.12755	10.0
167.14256	5.7
171.11659	6.1
173.13243	6.2
175.11160	6.6
175.14835	6.6
179.03381	4.4
179.14282	6.8
181.12274	9.4
185.13246	4.4
189.11159	8.2
193.12213	5.8
199.14915	4.6
221.11649	6.8
231.20996	5.2
235.17122	3.8
241.19499	6.0
249.22217	28.4
259.20682	9.6
277.21683	91.0
279.33597	3.6
295.05997	21.0
295.09222	6.2
295.16498	13.9
295.22778	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.6
55.01872	11.1
55.05513	26.5
57.03445	40.4
57.07076	13.1
65.58208	3.0
67.05510	70.9
67.97859	3.3
69.07086	23.4
69.68230	9.8
69.68638	10.8
71.04983	9.4
72.08179	4.7
73.32779	3.5
79.05497	45.1
81.07059	100.0
83.04974	5.5
83.08652	16.8
85.02895	5.6
85.06547	8.4
85.10168	4.0
91.05494	27.9
93.07051	57.5
95.04978	8.0
95.08604	79.5
97.06549	9.6
97.10178	12.6
99.08153	6.8
100.11275	5.0
105.07039	23.1
107.08585	40.3
109.06498	8.2
109.10165	39.6
111.08125	8.7
113.09650	9.6
117.06998	9.6
119.08601	22.6
119.98480	3.5
121.10148	41.9
123.08070	7.6
123.11691	10.5
125.09640	8.2
129.07034	8.0
131.08594	13.4
133.10123	17.0
135.11719	27.9
137.09627	7.5
139.11206	8.2
142.65221	3.5
143.08542	4.2
145.10129	18.3
146.06017	4.9
147.11684	14.4
149.09579	4.4
149.13235	17.6
151.03905	7.0
151.11171	6.7
155.08521	5.5
157.10104	5.7
159.11714	11.8
161.13261	6.6
163.11179	4.5
163.14809	7.5
165.12764	8.6
171.11688	5.0
173.13332	7.3
175.14766	7.3
183.11716	4.8
185.13339	5.9
187.14871	19.5
203.17940	4.0
205.15848	7.7
217.19266	3.6
221.11674	5.8
221.19061	7.2
223.16977	10.2
241.19533	7.4
259.20682	20.5
277.21640	58.0
295.06079	9.9
295.16833	5.7
295.23123	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2271
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03949	26.1
55.01860	11.5
55.05512	37.5
55.90373	2.9
57.03424	4.8
57.07069	11.8
64.62575	3.2
67.05510	74.2
69.03434	3.9
69.07072	51.7
70.93319	4.7
70.93669	7.0
71.05016	3.6
71.08625	7.9
79.05502	53.6
81.03428	90.3
81.06597	4.3
81.07061	73.9
83.04996	25.0
83.08606	14.0
85.06536	4.6
85.10196	5.1
91.05482	34.0
93.07055	48.7
95.04982	49.1
95.08611	34.5
97.06503	6.9
97.10169	13.0
99.08067	5.9
105.07035	29.9
107.04955	3.4
107.08606	38.3
109.06521	12.6
109.10152	23.6
111.08096	4.9
113.09658	3.6
117.07072	6.0
119.08617	18.6
121.10146	13.8
123.08070	4.5
123.11697	11.0
125.09633	11.2
131.08559	4.0
133.10144	21.5
135.08070	5.2
135.11719	16.1
143.08549	4.9
145.10165	5.5
147.11694	17.3
149.13272	8.4
151.11185	76.1
157.10173	5.6
161.09651	3.4
161.13286	22.2
163.14804	6.4
165.12747	11.5
171.11656	10.8
174.49319	3.4
175.11159	4.5
175.14772	5.2
179.03435	3.3
179.14297	5.3
185.13289	5.2
186.85303	3.2
189.12709	4.0
207.13731	4.7
231.21112	14.4
241.19539	7.7
249.22105	9.1
259.20526	7.6
277.21677	100.0
283.89804	3.5
295.06061	4.9
295.23846	4.8
313.12000	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	295.2269
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03944	8.6
55.01872	11.1
55.05513	26.5
57.03445	40.4
57.07076	13.1
65.58208	3.0
67.05510	70.9
67.97859	3.3
69.07086	23.4
69.68230	9.8
69.68638	10.8
71.04983	9.4
72.08179	4.7
73.32779	3.5
79.05497	45.1
81.07059	100.0
83.04974	5.5
83.08652	16.8
85.02895	5.6
85.06547	8.4
85.10168	4.0
91.05494	27.9
93.07051	57.5
95.04978	8.0
95.08604	79.5
97.06549	9.6
97.10178	12.6
99.08153	6.8
100.11275	5.0
105.07039	23.1
107.08585	40.3
109.06498	8.2
109.10165	39.6
111.08125	8.7
113.09650	9.6
117.06998	9.6
119.08601	22.6
119.98480	3.5
121.10148	41.9
123.08070	7.6
123.11691	10.5
125.09640	8.2
129.07034	8.0
131.08594	13.4
133.10123	17.0
135.11719	27.9
137.09627	7.5
139.11206	8.2
142.65221	3.5
143.08542	4.2
145.10129	18.3
146.06017	4.9
147.11684	14.4
149.09579	4.4
149.13235	17.6
151.03905	7.0
151.11171	6.7
155.08521	5.5
157.10104	5.7
159.11714	11.8
161.13261	6.6
163.11179	4.5
163.14809	7.5
165.12764	8.6
171.11688	5.0
173.13332	7.3
175.14766	7.3
183.11716	4.8
185.13339	5.9
187.14871	19.5
203.17940	4.0
205.15848	7.7
217.19266	3.6
221.11674	5.8
221.19061	7.2
223.16977	10.2
241.19533	7.4
259.20682	20.5
277.21640	58.0
295.06079	9.9
295.16833	5.7
295.23123	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2018
Annotation	Lycocernuine N-oxide
Peak:m/z	Relative Intensity
55.01876	20.5
55.05508	2.7
60.08172	6.5
70.14555	3.5
72.04513	3.0
72.08161	43.3
72.75703	0.7
73.28786	0.7
77.03934	0.9
84.04507	7.0
95.04993	1.2
98.20760	0.9
105.03414	2.3
114.09181	8.5
120.08147	1.3
123.04438	93.1
126.09164	21.8
126.81396	0.7
129.26331	0.8
129.54726	0.8
133.02850	5.3
137.06026	2.4
146.05945	0.8
151.03949	1.0
165.05478	14.4
179.03409	3.0
221.06030	3.8
236.12834	79.9
237.13206	0.8
249.05447	1.8
295.06094	4.1
295.20187	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2267
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03951	6.8
55.01876	42.2
55.05516	54.7
57.03428	6.4
57.07074	10.4
65.03952	3.0
66.47506	2.7
66.61763	2.4
67.05509	83.3
69.03425	10.5
69.07070	43.8
69.20695	6.9
69.21117	16.5
71.04998	7.8
71.08643	27.1
72.08160	5.6
79.05497	50.0
81.03417	17.3
81.07062	80.3
83.04985	17.5
83.08622	29.9
84.08187	3.7
85.06540	9.0
85.10170	12.8
85.65002	3.0
91.05493	41.8
93.07049	63.4
95.04984	20.6
95.08614	54.2
97.06548	21.6
97.10165	18.0
99.08102	25.5
100.11261	3.1
105.07042	35.4
107.04950	5.9
107.08607	40.6
107.77724	2.8
109.06538	10.0
109.10154	31.7
111.08097	38.0
113.09653	10.8
117.07000	12.3
119.08578	28.9
120.08127	3.7
121.06501	3.0
121.10168	26.3
123.08071	11.0
123.11692	11.0
125.09643	19.2
129.06998	6.6
131.08577	9.0
133.10123	28.6
135.08037	4.0
135.11681	17.7
137.09648	13.1
137.13223	3.6
139.11163	9.4
143.08525	3.5
145.10133	6.6
146.05981	6.0
147.08043	3.4
147.11705	24.2
149.09628	8.6
149.13292	19.4
151.03902	5.1
151.11183	28.4
153.12764	2.7
157.10170	3.6
159.11705	5.4
161.13216	14.1
163.11182	10.0
163.14835	5.2
165.12756	25.2
167.14279	3.5
171.11682	5.1
173.13319	5.7
175.07642	3.3
175.11134	4.1
175.14828	4.7
177.12747	2.7
179.03415	4.9
179.14314	9.9
181.12296	5.5
185.13239	6.1
189.11246	7.7
189.12729	6.3
193.15909	3.7
199.14912	4.8
203.14299	2.7
207.13824	2.9
221.15399	4.8
231.17418	3.1
231.21220	3.7
241.19490	6.8
249.22197	10.6
259.20715	13.5
277.18536	5.2
277.21637	100.0
295.06058	20.1
295.09613	6.9
295.16534	10.2
295.19772	5.0
295.22745	62.2
296.83044	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31494	0.6
53.03943	1.1
55.01875	19.1
55.05522	3.4
58.60004	0.6
60.08175	5.6
67.05511	1.1
68.99777	1.3
70.34852	1.3
70.35194	1.0
72.04513	1.9
72.08157	40.4
73.06548	1.4
77.03931	5.8
84.04505	7.9
94.06559	1.5
95.04959	2.6
100.11269	1.9
105.03400	10.6
107.04964	1.7
109.02892	0.8
114.09171	10.3
120.08106	7.4
123.04433	85.7
126.09158	23.8
130.05051	0.7
133.01848	1.3
133.02858	26.1
137.05978	1.8
146.05986	2.3
147.04507	0.8
151.03931	4.0
161.02370	3.8
163.03917	3.0
164.07091	1.1
164.94717	0.7
165.05496	14.9
165.06969	2.0
166.08633	1.8
174.05450	0.8
179.03409	16.3
186.09126	0.8
193.04956	1.5
221.05997	9.3
236.12825	81.7
237.13161	1.2
239.06964	0.8
249.05443	5.2
250.10649	0.9
277.04868	3.1
295.06012	12.3
295.20163	100.0
296.20465	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96515	4.7
55.01860	15.3
55.05504	17.4
57.03434	5.5
57.07068	15.4
59.03194	4.4
59.53059	4.8
64.24474	5.1
67.05508	29.2
68.05835	9.5
69.07082	30.7
70.06588	9.0
70.07386	7.5
70.31208	7.1
72.08142	6.8
78.00397	4.7
79.05484	19.7
80.05827	7.1
80.79855	4.6
81.03400	5.1
81.07055	61.0
82.07370	10.6
83.04997	8.0
83.07663	4.9
83.08619	9.7
85.02909	9.6
88.03965	4.4
91.05475	22.8
93.07041	28.1
94.06588	5.6
94.07370	7.4
95.04962	6.0
95.08610	25.9
97.06519	9.8
100.11262	6.0
105.07015	13.1
106.07374	11.9
107.08589	14.6
108.08964	6.7
109.06522	19.2
109.10143	11.6
111.04468	11.9
115.45978	4.8
119.08554	19.6
121.10143	8.9
123.08063	8.2
131.08606	8.3
133.06474	18.4
133.10121	17.6
135.11694	10.2
137.05991	100.0
137.09572	5.0
139.11264	6.5
147.08002	6.0
147.11743	8.8
149.09627	5.2
151.03909	15.7
153.12794	7.2
161.09573	5.8
175.11131	7.1
221.11670	7.4
231.17517	11.3
233.10550	4.8
249.18527	10.6
259.19788	8.6
277.17969	40.0
277.20840	62.9
295.05911	34.7
295.16492	22.0
295.22028	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	295.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01583	1.4
51.02372	2.9
53.03960	4.3
55.01857	1.5
55.05509	1.2
55.34237	0.5
56.05028	2.3
57.03434	1.1
58.06594	0.9
60.04520	1.1
65.03937	1.6
67.05496	1.3
68.99801	3.9
69.03405	1.0
69.07061	0.8
70.02952	7.0
70.06615	2.8
71.01348	1.3
71.48679	0.5
72.08160	9.7
72.56796	0.5
74.02461	3.5
74.06084	2.8
76.04668	0.5
77.03932	22.9
79.01843	1.6
79.05515	1.0
81.03418	0.6
82.03008	0.5
84.04501	1.6
84.08145	1.7
86.02409	1.2
86.09711	4.9
87.00835	1.3
88.03996	26.3
89.02374	1.0
89.03904	0.9
89.10810	4.2
91.05483	19.9
92.05070	0.6
93.07054	0.8
94.06572	30.1
95.04970	6.5
98.06075	0.7
99.00809	5.1
100.11246	1.5
103.03937	0.6
103.05460	1.3
104.03484	9.3
104.04980	2.2
105.03398	41.7
105.04524	1.9
107.04953	6.1
109.02879	0.7
111.04467	1.0
114.09177	1.1
115.08668	1.8
116.03492	1.3
116.07101	3.1
118.06557	1.9
119.03689	3.1
119.04946	30.1
120.04482	6.9
120.08115	13.4
123.04437	14.6
128.04970	0.9
129.10245	1.4
130.05022	2.4
131.04884	0.8
132.02052	0.9
132.04480	4.0
133.02861	100.0
134.03249	1.0
134.08138	9.6
135.04446	1.1
136.06190	44.8
136.07564	6.9
137.04581	0.9
145.02835	1.2
146.06017	74.7
147.04417	25.6
150.05464	3.1
150.07697	3.1
151.03893	8.1
156.02892	2.9
157.03961	2.9
158.04343	1.0
161.02339	12.4
161.10930	0.7
162.04132	20.5
163.03934	1.2
163.08708	1.1
163.27002	0.5
164.04718	1.1
164.07069	0.8
165.05682	1.0
165.06985	4.5
166.08629	3.6
174.03989	10.7
174.05531	30.7
175.02336	1.4
175.03917	49.6
179.03403	51.8
179.06816	2.7
180.03780	1.2
183.76772	0.7
184.02347	0.9
192.04100	0.7
192.06587	4.8
193.04962	0.7
193.06470	2.8
202.03479	9.4
207.06535	89.2
211.07603	0.6
221.05994	24.3
233.13188	0.6
236.12721	1.4
239.07016	2.1
249.05508	13.3
249.12419	1.2
249.16115	0.9
250.06139	0.8
250.10760	2.3
267.06580	2.5
271.06033	0.8
277.04977	5.3
277.08145	1.2
278.13940	4.1
295.06064	32.7
295.11453	1.4
295.13098	0.9
295.16537	17.8
295.19861	0.9
313.53326	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.8
53.03946	1.4
55.01861	1.2
55.05514	1.3
56.05022	1.5
63.89480	0.6
64.40949	0.5
65.03927	0.9
68.99782	1.3
69.03407	1.0
69.41478	1.6
69.41889	2.4
70.02973	4.6
70.06570	2.2
71.01334	1.0
72.07761	1.0
72.08160	19.1
73.06561	0.7
74.02432	1.8
77.03936	4.6
81.03430	0.8
84.04047	1.0
84.04507	11.9
84.08151	2.9
85.02921	3.6
86.09696	2.6
87.00835	1.1
87.08080	0.9
88.03992	22.5
89.03917	1.0
89.10801	8.2
90.03756	0.6
91.05481	22.5
93.07034	1.2
94.06571	23.8
95.04967	1.3
97.02866	1.2
98.06022	1.1
99.00828	3.3
100.11240	2.0
103.03922	0.8
103.05460	3.6
104.03471	7.1
104.04971	1.5
105.03396	8.5
107.04951	2.7
109.02888	0.8
115.08694	1.7
116.03420	1.4
118.06508	1.7
119.04945	35.8
120.04485	6.4
120.08108	42.2
123.04438	7.8
126.09120	1.6
128.04930	0.9
129.10292	0.8
130.05016	2.9
131.04947	2.0
132.02058	1.9
132.04451	3.0
133.02861	20.4
135.04390	1.2
136.07591	4.4
145.02930	1.0
145.04933	1.1
146.06017	56.9
147.04411	29.0
147.06279	1.2
148.04799	0.8
149.02321	1.5
150.05490	2.3
150.07741	1.2
151.03918	5.4
156.02904	1.9
157.03993	3.7
161.02328	1.9
163.03835	1.0
164.04665	0.8
164.07082	0.6
165.05472	1.5
165.06967	1.2
166.08644	15.1
174.03981	9.6
174.05515	22.7
175.03915	58.8
179.03386	12.7
179.07018	2.9
186.09157	2.1
192.06493	3.6
193.06496	0.9
202.03510	7.8
207.06534	100.0
208.06844	1.7
221.06007	6.7
232.09760	1.3
236.12802	5.3
249.05493	2.7
249.07950	0.7
250.10870	0.9
263.10281	4.4
267.06531	0.8
277.05078	1.2
278.10220	1.7
278.13858	3.3
295.06064	7.3
295.09232	1.1
295.12979	2.9
295.16528	25.3
295.20081	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.7
60.04528	0.8
69.32230	1.5
69.32638	4.3
70.02958	8.6
72.08154	0.8
74.02453	2.8
74.81377	0.7
75.91605	0.6
86.02428	2.2
87.00838	1.6
88.03997	37.6
91.05463	0.8
92.05006	1.0
94.06575	45.2
98.02405	1.0
99.00829	5.6
104.03476	12.9
104.04984	3.2
108.04501	1.1
112.85306	0.5
116.03448	2.3
118.06562	3.0
118.35815	0.8
120.04472	12.3
120.08110	0.6
128.04945	1.2
130.04997	2.4
132.04468	6.0
136.07584	1.8
146.06021	100.0
147.06377	0.7
150.05502	2.5
156.02963	3.5
158.04512	0.9
163.08658	1.2
174.03996	14.9
174.05530	38.5
179.03372	0.8
184.02379	0.7
191.08170	0.6
192.06563	7.3
202.03477	13.0
277.08188	1.6
293.85995	0.6
295.06091	0.8
295.09186	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2841
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
50.21461	3.1
53.17942	2.3
53.42146	2.3
55.05278	2.7
55.05515	42.1
57.03404	4.3
57.07085	20.9
67.05521	37.7
69.07076	77.1
71.08624	11.1
71.48966	3.5
79.05479	16.5
81.07066	70.3
83.04961	4.5
83.08627	39.7
85.06548	3.2
85.10159	6.3
90.73241	2.4
91.05486	6.4
93.07059	25.8
95.04949	2.9
95.08619	90.9
97.06526	10.6
97.10171	30.3
105.07024	9.2
107.08607	18.7
109.06522	4.3
109.10168	59.2
110.65973	2.8
111.08076	6.1
111.11744	16.3
119.08605	8.8
121.10148	14.0
123.08024	3.3
123.11720	34.4
125.09638	3.0
129.07030	3.7
133.10175	3.5
135.11699	11.6
137.13264	12.0
143.08600	3.3
145.10114	4.5
149.09630	6.4
149.13248	11.1
151.11200	2.8
151.14821	6.0
163.14871	6.4
165.16330	5.7
177.16396	3.4
179.17960	3.6
181.04939	2.8
186.72896	2.6
191.10699	4.2
193.10033	3.6
195.11754	3.0
204.65401	3.4
209.11671	6.9
209.13443	3.7
237.11261	8.3
275.20148	5.9
275.27377	27.0
293.18936	9.7
293.24991	4.7
293.28394	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0815
Annotation	Vittarilide B
Peak:m/z	Relative Intensity
53.03931	0.9
55.01672	0.6
55.01878	6.3
55.05490	1.6
57.03437	3.4
58.33704	0.6
60.08161	1.4
60.19786	0.6
68.99794	0.9
69.03423	1.4
69.71110	0.6
70.02938	1.7
70.06570	0.6
70.87862	2.0
72.04522	1.1
72.08160	12.8
73.02918	4.4
73.05230	0.6
73.06561	1.5
77.03935	4.1
79.05482	0.8
79.39243	0.6
82.04370	0.6
84.04514	3.1
84.08167	0.7
85.02896	2.4
86.09718	2.9
88.03991	5.3
89.03912	3.1
91.05505	0.8
94.06586	5.8
95.04981	1.4
99.00820	0.7
100.11248	3.1
103.03957	9.2
103.05460	2.2
104.03470	2.0
105.03398	8.9
107.04941	2.4
114.09160	2.3
115.05478	2.2
117.03379	3.3
118.06554	0.7
119.04905	1.2
120.04462	2.4
120.08109	4.1
123.04440	28.3
126.09159	6.7
129.06947	0.7
130.04985	0.6
131.04939	2.2
132.04411	1.1
133.01845	1.1
133.02863	19.9
135.04424	22.5
137.02396	0.8
143.04930	4.2
145.02893	2.7
145.06450	0.8
146.06020	14.7
147.04434	8.0
149.05968	2.3
150.05573	0.9
150.07855	0.8
151.03912	7.5
156.03014	0.7
157.06462	0.8
161.02367	3.5
161.06017	6.3
163.03918	100.0
164.04332	1.0
165.05498	6.3
165.06776	1.0
166.08638	1.4
169.06451	0.6
171.04404	1.1
173.05910	0.9
174.03987	1.9
174.05531	4.3
175.03905	6.2
177.05525	4.2
179.03413	15.9
185.05975	1.6
187.03888	1.0
187.07617	0.9
189.05490	8.0
191.03343	1.4
192.06541	1.5
193.04980	45.3
201.05560	0.9
202.03511	1.9
203.07053	1.2
205.05019	3.3
213.05424	3.0
215.07222	0.9
217.04961	5.4
221.05997	1.6
231.06641	3.9
235.06009	2.9
236.10428	1.1
236.12833	22.1
244.10735	0.6
249.05510	1.1
250.10788	1.5
259.06128	2.4
277.07220	1.3
295.08350	13.1
295.16614	9.8
295.20215	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2113
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03947	4.7
55.01867	7.9
55.05516	25.3
57.03439	4.7
57.33347	1.8
57.63711	1.9
65.00113	2.4
67.05508	55.8
69.07074	26.2
70.09531	1.8
70.54105	3.8
70.54420	2.7
71.04993	3.2
79.05501	41.3
81.03425	5.3
81.07063	100.0
83.04977	6.8
83.08623	13.2
85.06551	2.8
91.05483	30.0
93.07047	29.6
95.04980	21.3
95.08612	33.7
97.06505	3.3
97.10165	5.2
105.07040	33.6
107.04958	6.2
107.08599	22.8
109.06517	25.6
109.10152	15.8
111.08080	7.1
117.07022	8.9
119.08594	26.6
121.06513	3.1
121.10136	14.0
123.08056	19.1
123.11723	9.9
125.09642	2.7
128.32597	2.4
129.07028	2.8
131.08592	12.1
133.10158	18.7
133.11040	3.3
135.08055	4.8
135.11690	6.1
137.09608	8.4
145.10147	12.4
147.11694	18.7
149.09634	8.1
149.13232	3.4
151.11172	3.4
157.10103	3.1
159.11722	9.0
161.13283	2.7
163.11160	8.1
165.12747	3.1
173.13284	4.1
175.11253	2.9
177.12811	3.4
180.33788	2.0
183.11699	2.7
187.11180	2.3
193.12289	2.6
225.97363	2.0
239.17912	4.5
247.20641	6.3
257.18954	7.7
275.16928	3.0
275.20068	58.9
290.38516	2.3
293.21143	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2476
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
53.03937	1.1
55.05514	10.0
57.07079	4.4
65.03934	2.3
67.05507	92.6
69.07068	11.0
70.63989	0.8
70.79117	2.0
79.05499	13.9
81.07058	100.0
83.04977	1.9
83.08617	6.0
85.06538	2.5
91.05490	4.9
93.07045	10.5
95.04942	2.8
95.08611	79.0
97.06518	2.5
97.10162	3.1
99.08090	1.9
105.07020	4.1
107.08602	9.8
109.06538	1.3
109.10164	41.6
111.08093	1.2
115.07613	1.1
117.07030	2.1
119.08610	4.3
121.10144	8.1
123.08041	3.0
123.11713	30.9
125.09704	1.0
127.07581	1.1
131.08551	4.8
133.10152	4.7
135.11700	5.2
137.09595	2.8
137.13263	13.6
139.11143	1.0
143.10699	1.0
145.10167	4.9
147.11656	3.2
149.09673	1.3
149.13261	5.1
151.11188	2.5
151.14803	3.3
151.64455	1.0
153.05415	1.6
156.39368	0.9
159.11705	3.3
161.13263	3.8
163.11201	2.5
163.14861	2.1
163.54158	0.9
165.12686	1.4
165.16357	1.4
173.13229	4.4
177.12720	2.5
177.16364	1.8
179.14310	2.5
187.14864	4.5
191.14322	2.1
205.15791	1.4
209.11710	3.6
219.21129	1.2
223.16914	1.8
237.11192	3.8
237.18477	2.2
243.21138	5.8
261.22177	7.5
279.28775	0.9
284.83905	0.9
293.18152	0.9
293.21564	1.9
293.24741	30.7
293.28094	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03938	3.8
55.01871	4.4
55.05520	11.3
57.03438	12.4
57.07073	6.3
59.05015	2.2
59.47929	1.4
59.74282	1.3
63.12249	1.6
63.62182	1.4
65.03954	2.6
67.05508	25.9
69.07074	10.4
69.29552	8.8
69.29961	4.6
71.04975	4.0
71.08645	2.4
76.29731	1.4
79.05502	24.3
81.03414	3.6
81.07061	26.4
83.04971	3.9
83.08630	5.6
85.06552	3.9
91.05487	19.8
93.07055	24.8
95.04984	11.2
95.08612	27.8
97.06523	2.4
97.10170	3.9
105.07034	16.4
107.04941	4.8
107.08596	15.7
109.06529	6.5
109.10169	10.5
111.04417	3.7
111.08084	3.4
117.07021	10.3
119.08591	18.4
121.06506	4.2
121.10146	11.4
123.08073	4.0
123.11664	2.5
125.06027	2.2
126.58823	1.9
129.06972	2.6
131.08543	11.2
133.10138	11.0
135.08080	2.3
135.11713	8.5
137.09636	7.7
145.10155	7.5
147.11716	5.4
149.09625	5.1
151.11209	3.7
153.05492	3.5
159.11697	6.8
161.13272	2.4
163.11244	1.8
175.14793	2.1
177.12817	2.2
181.04988	3.2
183.11838	1.9
185.13202	2.3
191.10675	3.5
201.16438	3.0
203.14352	4.6
209.11786	5.6
219.17445	100.0
219.69717	1.6
220.17873	3.1
221.15376	4.1
237.11267	10.5
247.20656	2.0
257.18945	3.8
265.18311	1.6
275.20081	24.5
293.21097	25.4
293.24292	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03941	9.6
53.15672	2.8
55.01875	15.9
55.05516	37.5
57.03432	2.8
60.17793	3.3
62.18317	2.5
67.05506	39.4
69.06729	3.8
69.07075	39.0
69.49536	22.3
74.99844	2.8
79.05500	54.9
81.03419	10.5
81.07064	41.2
83.05000	6.5
83.08621	15.5
85.06537	3.3
87.30159	2.5
89.09345	3.3
91.05495	39.2
93.07044	43.1
95.04965	29.8
95.08611	31.8
97.06523	22.4
97.10171	20.0
105.07035	45.6
107.04956	16.2
107.08601	88.7
109.06516	10.4
109.10160	17.9
117.07044	12.1
119.08591	23.2
121.06524	5.6
121.10155	19.0
123.08068	8.2
123.11745	3.7
125.09639	15.8
131.08589	11.9
133.10146	24.5
135.08060	7.7
135.11705	5.9
137.09589	4.8
145.10138	15.1
147.11746	16.1
149.09604	19.8
151.11224	5.2
157.10139	4.4
159.11688	14.1
161.09708	3.6
161.13274	7.1
163.11185	7.4
165.09148	4.5
169.10095	3.2
173.13298	5.4
175.11310	3.5
177.05487	7.9
177.12718	3.6
178.06259	11.0
185.13351	3.2
187.11183	3.8
189.11224	10.6
191.07040	3.9
197.13148	3.5
205.12273	3.2
219.17525	4.4
229.19461	3.9
233.11743	9.6
237.14827	6.8
239.18007	8.3
247.20650	4.7
257.19012	11.3
275.20087	100.0
293.21033	25.7
304.75192	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	293.2111
Annotation	12-OPDA
Peak:m/z	Relative Intensity
50.80922	2.1
53.03954	13.2
55.01875	10.8
55.05516	33.4
57.03423	2.4
57.07080	41.0
61.48294	2.2
63.19252	2.2
67.05510	45.4
69.03420	5.4
69.07075	21.6
71.04996	6.7
71.08629	2.8
71.49171	4.5
79.05503	48.7
81.03419	20.3
81.07061	41.6
83.05003	16.0
83.08614	13.4
85.06565	2.9
91.05497	31.3
93.07059	32.8
95.04980	11.8
95.08614	25.1
97.06543	11.3
97.10172	16.9
103.79167	2.5
105.07043	31.7
107.04967	28.4
107.08600	36.4
109.02892	5.7
109.06520	8.3
109.10149	17.3
111.04448	24.9
111.08075	8.4
115.84328	2.5
117.07031	11.9
118.53376	2.2
119.08590	18.5
121.06534	8.6
121.10120	16.2
123.08080	7.3
123.11705	5.1
125.02358	3.8
125.06015	9.3
125.09653	15.0
131.08563	19.0
133.10158	18.7
135.04411	4.0
135.08081	7.6
135.11694	10.1
137.09633	4.0
139.03874	3.9
141.06984	2.9
145.06517	3.1
145.10092	11.4
147.11713	13.6
149.09627	46.4
149.13301	4.2
151.11197	5.4
153.05458	20.8
153.09085	4.2
159.11674	13.0
161.13235	4.0
163.03838	4.9
163.11240	7.6
167.10695	4.9
171.11705	2.8
173.13255	4.3
177.12761	4.2
181.04968	39.4
181.12267	4.8
187.11211	6.5
189.11269	9.8
191.10690	13.5
195.10173	10.6
199.14717	2.5
209.11739	47.8
219.10187	10.3
229.19615	4.7
237.11232	100.0
239.17987	3.5
240.67485	2.4
247.20670	4.1
257.19006	7.4
265.18045	6.8
275.20093	67.8
275.23169	3.6
292.23666	3.1
293.17917	4.2
293.21118	56.7
293.24368	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	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
51.39949	1.9
51.75585	1.9
53.03946	5.3
55.01862	8.6
55.05515	25.5
57.03427	6.6
57.07062	3.7
67.05508	27.9
69.03409	3.4
69.07070	43.2
70.98085	5.9
71.04955	3.9
79.05500	81.4
81.03394	6.1
81.07068	32.2
83.04978	7.1
83.08601	6.2
87.33172	2.0
91.05484	35.7
93.07045	57.3
94.36981	1.9
95.04977	10.9
95.08616	27.8
97.06535	10.7
97.10167	4.9
105.07040	42.0
107.04964	80.1
107.08612	31.8
109.06506	6.0
109.10158	5.9
111.08108	3.3
115.05532	2.9
117.07014	9.4
119.08595	33.2
121.06458	2.9
121.10154	24.7
123.08050	6.7
123.11652	3.5
131.08582	11.5
133.10144	31.5
135.08067	55.5
135.11737	3.7
139.11177	10.1
142.64175	2.1
143.08507	3.0
145.10081	9.9
147.11685	17.4
149.09637	11.1
159.11681	6.1
160.74452	2.2
161.13277	3.8
163.11205	5.7
171.11635	2.6
173.13280	5.6
175.11220	2.2
183.11755	3.0
183.13788	4.9
203.12688	5.0
209.11670	2.3
219.13846	3.6
219.17293	2.0
229.19540	3.6
237.11250	4.7
247.20656	3.6
257.18988	8.1
275.20093	100.0
293.14935	2.0
293.20981	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
52.70896	1.8
53.03945	6.1
55.01864	7.1
55.05517	60.3
57.03427	4.2
58.80336	2.3
65.03942	2.4
67.05510	48.7
67.45235	1.8
69.02789	2.3
69.03439	2.9
69.07062	12.8
69.64819	13.2
71.04990	3.2
79.05500	86.6
81.03407	2.0
81.07061	33.8
83.04983	14.3
83.08630	23.2
91.05482	26.0
91.76114	2.3
93.07049	38.2
95.04970	6.8
95.08612	11.1
97.06479	2.5
97.10171	30.4
98.21480	2.8
105.07042	28.5
107.04233	2.0
107.04961	46.1
107.08598	68.3
109.06503	2.8
109.10172	19.7
111.08095	4.7
116.91224	1.9
117.06995	11.1
119.06068	2.2
119.08591	22.1
121.06476	2.0
121.10158	20.3
123.11681	5.3
125.09634	37.3
125.10552	2.6
127.01597	1.8
130.00931	1.8
131.08592	10.7
133.10144	21.1
135.08054	7.6
135.11679	5.0
145.10150	9.6
147.11699	19.0
149.09625	97.2
159.11711	10.1
161.13245	6.4
163.11214	3.8
164.56598	1.9
166.57407	2.0
169.12257	4.9
171.10164	12.4
173.11729	3.9
173.13217	4.9
187.13219	3.9
189.11226	24.8
197.13350	2.9
209.15620	2.4
229.19560	8.9
232.43556	2.0
239.17998	2.7
247.20627	3.5
257.19019	24.3
275.20068	100.0
276.20496	2.3
293.21127	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03939	1.8
55.01875	4.9
55.05518	12.9
57.03425	2.0
58.38305	1.7
60.36250	1.7
61.40651	1.6
65.47301	1.9
67.05506	25.3
69.07077	21.7
70.18755	2.7
70.19130	6.8
76.57172	1.6
79.05492	18.4
81.07056	27.2
83.04990	7.8
83.08631	4.0
85.84113	1.6
91.05489	16.7
93.07042	21.9
95.04974	5.9
95.08611	14.3
97.06516	3.7
105.07035	25.5
107.04948	6.3
107.08591	13.3
109.06513	7.9
109.10140	6.2
111.08014	1.6
117.07014	5.8
119.08594	11.7
121.06490	8.9
121.10120	6.4
123.08066	2.7
129.06958	2.0
131.08568	12.9
133.06480	2.3
133.10138	17.0
135.08078	3.3
135.11713	3.8
137.09625	1.9
143.08594	2.5
145.10129	10.8
147.11671	14.2
149.09630	6.0
151.11198	5.5
157.10089	3.4
159.08005	2.5
159.11742	6.4
161.09619	2.0
161.13252	2.9
163.11188	5.2
171.11734	2.3
173.09647	2.0
173.13254	4.0
175.11081	2.4
187.11221	3.1
191.14310	2.9
197.13283	1.7
207.13838	4.2
219.13791	6.3
239.17984	2.8
257.19003	10.5
275.20068	100.0
276.20654	2.2
293.21112	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2113
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03945	4.2
55.01869	9.3
55.05515	99.3
57.03434	9.8
59.04998	3.6
67.05511	29.1
68.69537	1.6
69.03423	6.5
69.07071	18.7
71.13246	2.6
71.13577	2.7
79.05496	34.1
81.07056	33.3
83.04995	8.7
83.08618	52.2
85.06554	3.6
91.05481	21.0
93.07048	24.1
95.04967	3.8
95.08598	7.0
97.06513	2.7
97.10175	100.0
105.07060	15.5
107.08606	35.4
109.06522	4.5
109.09451	1.6
109.10148	6.4
111.08098	5.0
117.07037	9.0
119.08567	5.7
121.10157	8.4
123.08096	2.2
125.09637	91.7
131.08546	14.4
133.10121	8.3
135.08029	9.1
135.11752	3.8
143.10715	4.0
145.10136	5.8
147.11691	2.7
149.09604	4.5
153.09105	6.8
153.12827	2.8
159.11699	3.3
171.10176	15.2
171.11557	2.4
173.11760	2.0
181.12160	2.9
189.11227	60.3
219.17438	3.8
244.64218	2.0
257.19086	3.6
275.20078	31.3
275.22842	2.9
293.21060	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	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.35679	3.5
53.03943	7.3
55.01866	13.7
55.05272	6.0
55.05516	65.2
57.03417	6.1
57.07063	5.0
57.22522	3.1
67.05185	5.2
67.05510	74.1
69.03423	8.9
69.07072	41.4
70.60739	10.3
71.04986	4.9
79.05497	84.8
81.03407	12.6
81.07057	63.5
81.15394	3.8
83.04980	10.2
83.08626	37.1
91.05489	45.6
93.07047	57.1
95.04966	32.5
95.08609	57.1
97.06515	11.3
97.10180	31.1
104.27178	3.3
105.07024	42.8
107.04957	11.1
107.07887	5.2
107.08600	99.1
109.06516	10.3
109.10159	31.8
111.08086	4.3
115.65179	3.2
117.07016	10.3
119.08590	36.4
121.06492	5.2
121.10146	30.9
123.08056	8.0
123.11684	3.8
125.09608	22.1
129.07022	6.5
131.08586	16.6
133.10136	28.9
135.08116	7.5
135.11731	8.1
137.09615	29.4
139.11134	13.6
143.08556	6.2
145.10144	25.6
147.11667	19.2
149.09648	20.5
151.11154	7.8
157.10091	5.1
159.11710	6.6
160.89722	3.5
163.11156	9.4
171.10281	4.7
171.11673	6.4
173.13229	8.0
187.11273	3.8
189.11234	15.1
194.64517	3.4
199.14949	4.5
203.12767	6.9
205.12331	3.8
215.20348	3.2
223.13231	6.1
229.19479	4.5
239.17986	5.8
257.19028	11.3
275.20078	100.0
293.21097	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	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03935	5.5
54.41024	2.4
55.01880	21.7
55.05516	27.1
57.03419	2.4
57.07072	4.3
59.01610	2.2
65.03925	2.6
67.05186	2.7
67.05511	34.7
69.03419	2.6
69.07072	17.4
69.81619	5.9
69.82010	6.6
79.05493	41.4
80.56084	2.6
81.03416	6.8
81.07055	32.6
83.05002	4.9
83.08619	12.0
85.06497	3.0
91.05485	31.4
93.07052	30.5
95.04961	9.1
95.08613	22.6
97.06542	18.8
97.10165	11.4
98.20850	4.3
105.07042	36.9
107.04967	9.6
107.08600	79.6
109.06505	9.7
109.10163	9.1
111.14854	3.1
117.07015	9.8
119.08604	24.6
121.06533	5.2
121.10162	13.0
123.08073	5.8
123.11697	3.8
125.09644	18.0
131.08571	8.1
133.10126	21.2
135.08054	6.6
135.11661	7.5
137.05968	9.5
137.09608	3.4
145.10136	14.1
147.11711	11.8
149.09636	18.9
151.11212	7.2
155.24805	2.4
159.11697	10.1
161.13286	4.3
163.11197	7.9
165.09135	10.6
169.10127	3.1
171.11641	5.5
173.13214	4.1
176.85345	2.4
177.12730	3.0
187.11256	4.8
189.11218	6.7
189.12833	2.8
191.10593	3.7
209.11693	6.8
215.18111	2.7
229.19478	5.5
237.11261	7.8
239.17944	4.6
247.20476	8.9
257.19073	12.6
275.20081	100.0
286.90134	2.4
293.21066	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	293.2112
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
50.88255	2.2
53.03945	6.3
55.01867	13.4
55.05511	31.2
55.64187	2.1
57.03425	6.6
59.04995	2.0
61.24954	2.1
65.03944	3.1
67.05510	39.0
69.03434	2.7
69.06731	3.2
69.07069	32.2
69.82430	11.3
71.04999	3.1
79.05492	57.6
81.03410	5.5
81.07064	36.7
83.04973	6.4
83.08595	11.5
85.06560	4.2
91.05486	34.9
93.07048	36.1
95.04982	23.9
95.08607	30.5
97.06539	20.3
97.10172	16.8
97.53687	2.0
105.07038	43.3
107.04948	14.2
107.08598	68.8
109.06525	12.7
109.10171	15.9
111.08072	4.0
117.07031	10.5
119.08575	24.4
121.06522	6.2
121.10158	15.3
123.08072	8.3
125.09657	14.6
129.07018	4.0
131.08565	18.9
131.31819	2.3
133.10144	22.9
135.08034	10.8
135.11693	7.9
137.09633	5.4
145.10135	16.3
147.08055	2.9
147.11649	15.7
149.09647	23.5
149.13268	2.7
151.11206	7.8
157.10072	3.4
159.11726	14.0
161.09651	2.5
161.13297	5.9
163.11157	8.1
165.09134	9.4
171.11757	4.0
173.13315	6.5
173.88596	2.6
177.05475	9.3
177.12810	3.1
178.06265	7.7
183.11722	3.1
184.43761	2.6
185.13184	2.9
187.11295	6.4
189.11220	8.6
199.14853	2.7
203.14444	3.2
219.17441	12.8
221.15347	5.1
226.19513	2.5
229.19447	3.8
233.11772	8.9
237.14908	7.4
239.17952	8.6
247.20651	5.1
257.19095	16.9
275.20068	100.0
293.21088	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2113
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
51.22078	2.1
53.03944	7.0
55.00574	2.3
55.01881	11.4
55.05516	30.3
57.03440	2.3
65.03938	3.0
67.05514	35.2
69.03426	4.0
69.07070	19.3
70.86579	2.7
70.86897	3.6
79.05074	3.3
79.05502	49.6
81.03439	12.8
81.07065	41.3
83.04999	5.8
83.08634	17.1
91.05494	34.8
93.07054	27.6
95.04967	9.9
95.08620	25.9
97.06520	10.6
97.10181	17.5
103.05452	2.7
105.07043	39.4
107.04961	14.3
107.08604	100.0
109.06544	8.2
109.10166	8.8
111.08095	3.2
117.07040	9.0
119.08587	22.8
121.06552	3.9
121.10175	6.7
123.08099	6.4
123.11739	3.1
125.09643	18.0
129.07005	2.9
131.08585	12.3
133.10138	25.5
135.08067	5.4
135.11702	6.5
141.06984	3.7
143.08566	3.7
145.10127	13.5
147.11751	10.5
149.09633	22.1
151.11101	2.9
153.09129	3.2
159.11717	7.6
161.13292	6.1
162.94104	2.2
163.11198	8.2
164.32422	2.3
165.09117	5.1
173.13280	5.5
177.12819	2.5
179.14343	5.2
183.11752	2.6
185.13318	2.4
187.11221	2.5
189.11215	14.5
197.13347	2.3
229.19643	4.1
236.58244	2.0
239.17982	6.0
247.20601	2.7
253.60182	2.2
257.19061	10.4
275.17032	4.0
275.20087	80.7
293.21088	27.8
293.27585	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.39087	3.2
53.03938	5.2
55.01877	8.2
55.05316	2.4
55.05517	27.4
57.03425	3.8
57.07080	2.8
67.05504	44.7
69.07073	29.2
71.15102	4.7
71.15440	4.6
76.67287	3.0
77.14127	2.8
79.05504	35.2
81.03438	5.8
81.07061	92.1
83.04982	6.0
83.08620	16.0
91.05495	26.2
93.07053	37.1
95.04971	17.1
95.08614	51.5
97.06515	14.3
97.10164	12.0
105.07027	36.4
107.04948	10.7
107.08591	42.9
109.06525	14.1
109.10160	26.4
111.08070	8.8
117.07012	8.7
119.08585	29.0
119.28391	2.8
121.06487	9.2
121.10156	22.4
123.08065	8.0
123.11720	9.8
125.09637	12.8
131.08557	13.8
133.10143	18.6
135.08041	4.1
135.11697	10.7
137.09592	6.4
137.13196	3.0
143.08563	3.9
145.10130	14.6
147.08052	4.3
147.11737	16.4
149.09592	21.2
149.13330	6.0
151.11168	12.3
151.27220	3.0
157.10202	3.9
159.11700	10.4
161.13177	4.6
163.11179	11.6
165.09116	5.8
165.12869	3.9
171.11797	5.0
171.83012	3.1
173.09608	3.5
173.13289	6.0
175.11133	5.2
177.12737	3.5
189.11165	5.2
229.19603	6.1
239.17969	5.7
247.20587	7.2
257.19144	15.0
275.20081	100.0
293.21085	33.5
293.24481	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	293.081
Annotation	Glabone
Peak:m/z	Relative Intensity
51.02383	0.9
53.03938	0.9
55.01862	1.7
55.05499	2.2
57.07077	0.6
60.02929	0.5
67.05501	2.8
69.03419	1.6
69.07073	3.6
70.06580	1.6
70.34739	0.5
71.05004	1.0
71.48742	0.5
71.49132	1.0
72.08161	0.6
77.03912	1.3
79.05491	3.1
81.03412	0.9
81.07055	5.8
83.04981	1.0
83.08624	1.0
84.08147	6.6
85.06570	0.8
85.08466	2.0
85.28811	0.5
86.09713	1.0
91.05480	5.6
93.07035	4.1
95.04956	1.9
95.08624	3.8
97.02883	0.6
97.06523	1.1
100.22840	0.5
103.05459	3.9
105.03418	1.2
105.07041	3.4
106.75233	0.5
106.79945	0.5
107.04956	11.8
107.08582	3.3
109.02805	0.6
109.06498	1.0
109.10172	3.5
111.04452	1.1
111.08093	1.1
115.05477	1.6
117.07030	0.7
119.04945	1.8
119.08598	1.7
121.06500	0.9
121.10139	1.7
123.04390	0.6
123.11747	1.0
125.09648	2.4
129.07018	0.6
131.04933	100.0
132.05753	4.2
133.02855	12.8
133.10139	1.7
134.03633	1.2
134.07144	1.4
135.04414	6.6
135.08093	1.2
135.11705	1.2
136.04759	2.1
137.05994	0.8
137.09543	0.7
139.01625	0.6
140.79971	0.5
143.04921	0.9
144.05696	1.4
145.06442	0.6
145.10132	1.3
147.04410	18.9
147.08005	0.9
147.11772	0.7
149.09668	0.8
149.13203	0.5
150.05531	0.5
157.06448	0.6
159.04422	61.8
159.11763	1.2
160.05180	6.2
161.02406	0.6
161.06067	0.9
161.13300	0.7
163.03940	2.3
163.11252	0.7
164.04283	1.9
165.06993	2.2
166.07788	1.9
171.04442	4.3
173.13289	0.9
178.04973	5.7
179.05348	7.5
179.08559	0.9
179.10709	0.6
181.06534	1.8
181.10100	1.9
189.07039	2.0
190.07780	3.4
191.05376	0.5
191.08545	6.7
194.07283	6.3
195.08092	2.0
201.81580	0.5
202.07794	1.2
205.06485	1.3
207.08118	2.3
209.09689	4.0
218.07167	2.9
219.08041	11.2
220.08821	0.6
221.06018	1.3
222.06772	1.4
223.07622	1.1
234.06888	0.6
235.07591	4.4
236.08377	3.2
237.09100	9.4
245.74637	0.5
246.11327	1.4
247.07597	11.1
247.11562	13.4
250.06285	1.9
251.07068	0.8
257.18863	0.8
260.07968	0.5
261.09198	1.1
263.07074	2.0
264.07748	3.9
265.08609	15.7
275.07114	3.3
275.20029	1.6
293.08133	32.7
293.12115	22.5
293.21167	1.7
293.24271	0.6
299.81506	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.081
Annotation	Glabone
Peak:m/z	Relative Intensity
51.02383	0.5
53.03936	0.9
53.30717	0.2
54.88879	0.2
55.01862	1.3
55.05506	1.0
65.03924	0.4
65.27241	0.3
67.05498	1.1
68.99770	0.3
69.03419	0.3
69.07069	1.9
69.34740	2.1
69.81893	0.2
70.06592	0.3
74.19939	0.2
77.03939	1.1
79.05507	1.8
81.03403	0.7
81.07055	2.4
83.08604	0.3
84.08112	0.6
85.06558	0.4
86.09705	0.9
87.04464	0.4
89.06036	0.2
91.05483	3.6
93.07043	1.4
95.04937	0.6
95.08624	1.4
97.06537	0.4
98.20819	0.6
103.03977	0.6
103.05469	3.3
103.12891	0.3
104.06257	0.4
105.03386	1.1
105.04496	0.3
105.07028	0.6
107.04958	11.4
107.08585	1.1
109.06561	0.3
109.10172	1.2
112.74317	0.3
115.05443	1.3
117.07033	0.3
119.04933	1.1
119.07081	0.5
119.08578	0.6
120.08122	2.0
121.10149	0.7
123.08038	0.4
123.11637	0.4
125.09627	0.4
131.04929	100.0
131.44545	0.2
132.05757	4.0
133.02856	13.2
133.10165	0.3
134.03656	1.2
135.04417	6.3
135.11667	0.3
143.04936	0.6
144.05681	1.4
145.10115	0.4
146.11754	0.4
147.04411	18.7
147.11676	0.4
149.13268	0.4
153.06915	0.4
155.04829	0.3
159.04417	59.4
160.05215	6.9
161.02431	0.5
165.06950	2.7
166.07811	1.8
167.08493	0.6
168.05759	0.2
171.03056	0.2
171.04404	5.3
171.05760	0.5
173.02376	0.4
176.06206	0.4
177.07085	0.5
178.07800	0.5
179.05214	0.3
179.08585	1.1
181.06517	1.8
181.10152	2.0
184.05302	0.3
189.07002	1.8
190.07765	3.0
191.08548	8.0
194.07274	5.6
195.08043	1.8
201.07089	0.3
202.07759	0.7
203.08591	0.3
205.06517	0.8
206.02042	0.3
207.08032	1.7
208.08768	0.6
209.09599	4.8
209.11426	0.5
218.07259	2.6
219.05927	0.6
219.08051	9.3
220.08810	0.6
221.06006	0.8
222.06737	1.5
223.07585	1.1
229.07565	0.7
234.06749	0.5
235.07565	3.3
236.08267	2.8
237.05424	0.4
237.09094	8.8
246.06812	0.4
247.07544	11.9
247.11516	0.5
248.08076	0.7
250.06247	1.9
251.06981	0.6
263.07068	2.4
264.07797	3.4
265.08597	13.7
275.07053	3.1
275.20071	0.3
293.08069	29.7
293.21143	0.7
293.24738	0.7
294.08496	0.3
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
57.17765	5.0
61.33693	5.1
67.37936	4.5
70.73946	11.9
150.62135	4.5
156.54562	4.6
186.88580	4.5
231.62097	4.9
235.48256	4.5
246.04752	4.9
293.06329	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	292.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02101	0.5
52.26409	0.5
55.00726	0.5
55.01870	0.8
55.05499	1.7
55.74429	0.5
56.05036	1.1
56.06808	0.6
57.07086	0.7
58.06601	1.0
59.05022	0.5
59.47631	0.5
64.34476	0.5
65.72684	0.5
67.05497	1.6
69.03418	0.8
69.07073	10.8
70.06590	1.2
70.73624	1.1
72.08157	2.5
73.06573	1.0
79.05499	1.3
80.05024	2.0
81.07055	1.4
82.06602	1.2
82.07381	0.5
84.04482	0.5
84.08150	33.5
86.09718	4.1
89.03914	0.7
91.05492	2.1
93.07034	0.6
95.08598	0.8
97.06493	0.5
103.05478	1.2
104.04982	0.6
104.20328	0.5
105.07087	0.5
107.04946	1.1
109.06573	0.5
109.10206	0.6
115.05479	0.8
117.07024	0.8
118.06544	1.7
120.08115	0.6
120.08914	0.7
121.10124	0.7
123.04418	1.7
129.10278	0.8
129.84518	0.6
130.08612	1.0
131.04945	4.9
131.08618	0.8
133.02882	1.2
134.06058	0.8
135.04427	18.2
145.06508	1.3
146.06007	1.4
147.04395	2.6
148.03937	0.9
150.05511	7.1
155.08569	0.9
159.04477	2.8
159.08109	1.0
160.03958	0.6
160.05196	1.1
161.06013	1.2
162.05516	3.1
163.03915	20.5
168.85683	0.5
173.06026	0.7
177.05472	1.3
178.05009	69.1
179.03391	1.2
183.08073	1.9
190.04991	7.5
190.06508	0.5
191.06940	1.0
193.04939	1.3
201.09175	2.4
204.06537	1.6
205.16756	0.6
211.07538	1.7
213.07748	1.0
214.06296	0.7
217.08633	5.0
218.11736	1.1
219.10176	0.7
228.10197	4.4
229.08641	2.6
238.16656	0.6
246.11281	65.4
247.11674	0.9
248.12834	0.7
265.08618	0.6
274.07077	0.6
292.11807	100.0
293.08127	1.6
293.12033	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02101	0.5
52.26409	0.5
55.00726	0.5
55.01870	0.8
55.05499	1.7
55.74429	0.5
56.05036	1.1
56.06808	0.6
57.07086	0.7
58.06601	1.0
59.05022	0.5
59.47631	0.5
64.34476	0.5
65.72684	0.5
67.05497	1.6
69.03418	0.8
69.07073	10.8
70.06590	1.2
70.73624	1.1
72.08157	2.5
73.06573	1.0
79.05499	1.3
80.05024	2.0
81.07055	1.4
82.06602	1.2
82.07381	0.5
84.04482	0.5
84.08150	33.5
86.09718	4.1
89.03914	0.7
91.05492	2.1
93.07034	0.6
95.08598	0.8
97.06493	0.5
103.05478	1.2
104.04982	0.6
104.20328	0.5
105.07087	0.5
107.04946	1.1
109.06573	0.5
109.10206	0.6
115.05479	0.8
117.07024	0.8
118.06544	1.7
120.08115	0.6
120.08914	0.7
121.10124	0.7
123.04418	1.7
129.10278	0.8
129.84518	0.6
130.08612	1.0
131.04945	4.9
131.08618	0.8
133.02882	1.2
134.06058	0.8
135.04427	18.2
145.06508	1.3
146.06007	1.4
147.04395	2.6
148.03937	0.9
150.05511	7.1
155.08569	0.9
159.04477	2.8
159.08109	1.0
160.03958	0.6
160.05196	1.1
161.06013	1.2
162.05516	3.1
163.03915	20.5
168.85683	0.5
173.06026	0.7
177.05472	1.3
178.05009	69.1
179.03391	1.2
183.08073	1.9
190.04991	7.5
190.06508	0.5
191.06940	1.0
193.04939	1.3
201.09175	2.4
204.06537	1.6
205.16756	0.6
211.07538	1.7
213.07748	1.0
214.06296	0.7
217.08633	5.0
218.11736	1.1
219.10176	0.7
228.10197	4.4
229.08641	2.6
238.16656	0.6
246.11281	65.4
247.11674	0.9
248.12834	0.7
265.08618	0.6
274.07077	0.6
292.11807	100.0
293.08127	1.6
293.12033	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.232
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03940	4.3
55.05519	20.8
55.65638	1.8
61.64993	1.9
67.05511	37.6
69.07078	19.0
70.61074	6.4
79.05499	71.7
81.07059	55.7
83.08626	10.5
85.06573	3.5
91.05488	27.0
93.07049	100.0
95.04975	4.7
95.08612	34.9
97.10179	4.4
105.04580	2.4
105.07038	17.4
107.08600	54.5
109.10177	15.7
116.10537	2.4
117.07064	3.3
117.77826	2.2
119.08587	17.0
121.10155	48.7
123.11735	2.9
131.08603	6.0
133.10159	17.8
135.11696	64.8
143.08563	4.0
145.10117	5.7
147.11720	9.7
149.09612	3.3
149.13266	31.2
159.11700	6.0
161.13272	7.6
163.11215	3.4
163.14825	11.4
171.11707	3.1
173.13283	2.7
175.14848	4.7
177.12811	3.9
185.13309	5.0
217.15860	2.3
217.19624	3.7
221.15305	2.5
235.16945	3.1
241.19615	4.7
249.18536	5.6
259.20605	9.3
291.23218	61.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1956
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03950	1.1
55.01878	2.9
55.05270	0.6
55.05515	8.6
57.03436	0.4
58.81464	0.4
60.54968	0.4
65.03946	0.7
67.05513	5.6
69.03419	1.7
69.07074	3.9
70.67249	1.2
71.04995	0.9
72.08145	1.2
79.05073	0.6
79.05501	8.4
81.03394	0.9
81.07069	7.0
81.25156	0.4
83.04988	1.3
83.08631	4.7
91.05489	7.0
93.07044	6.8
94.04198	0.5
95.04971	3.0
95.08614	3.0
96.73879	0.4
97.06513	0.9
97.10197	3.9
97.16962	0.5
98.78808	0.5
104.06310	0.4
105.03392	1.1
105.07040	6.5
107.04967	3.3
107.08597	3.7
108.05713	0.6
109.06503	1.1
109.10152	1.7
111.08071	0.5
115.05475	0.9
116.06259	0.6
117.07024	3.3
118.06593	0.5
119.04969	1.8
119.08603	5.9
120.05704	0.4
121.06500	1.8
121.10137	1.6
123.04443	0.7
123.08073	2.0
125.09634	2.1
126.77207	0.4
129.07022	2.3
130.07834	0.8
131.08577	3.7
133.06485	4.2
133.10126	1.6
134.07263	0.7
135.08044	1.8
135.11668	1.0
142.07742	0.7
143.08591	1.5
145.06509	0.7
145.10152	2.7
147.08070	4.4
147.11713	0.9
149.09557	0.9
151.07556	1.1
155.08714	0.4
157.10141	1.0
159.08073	0.9
159.11694	1.2
161.09650	1.4
162.10393	1.1
163.11186	0.7
164.01096	0.4
171.11710	0.9
175.11166	0.9
185.13243	0.7
189.11223	1.0
189.12790	0.5
207.11708	0.5
223.13286	1.2
227.17917	0.5
233.15477	0.8
249.14857	1.7
249.18512	2.9
261.14816	0.7
263.28748	0.4
273.18527	4.9
291.19568	100.0
292.19983	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1956
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03933	10.1
55.01878	20.9
55.05513	38.7
57.03421	8.0
59.04998	3.6
67.05508	40.2
69.03429	7.1
69.07077	22.3
71.04980	10.0
72.08134	2.6
77.03911	3.2
79.05499	68.8
81.03397	3.2
81.07058	73.2
83.04973	9.0
83.08613	20.5
88.68525	2.5
91.05482	65.0
91.06031	5.9
93.07048	49.9
95.04971	16.6
95.08611	30.5
97.06517	6.3
97.10192	15.4
105.07026	47.8
107.04975	16.0
107.08605	32.1
109.06520	14.2
109.10162	10.5
111.08067	10.0
115.05468	4.5
116.06277	3.8
117.07023	49.8
119.04965	4.7
119.08589	68.6
121.06502	23.1
121.10163	21.9
123.04426	9.5
123.08068	10.8
125.09636	10.4
128.06270	6.1
129.07010	19.7
130.07729	3.3
131.08565	42.8
133.06488	9.9
133.10130	12.0
135.08095	22.0
135.11710	7.3
142.07768	4.0
143.08553	20.8
145.10115	50.3
147.08061	36.1
147.11702	8.1
149.09618	14.0
151.07526	9.2
157.10155	15.9
159.08047	6.0
159.11676	10.4
161.09596	17.6
163.11220	4.2
169.10132	5.8
171.10292	3.6
171.11714	9.5
173.09586	2.8
173.13292	3.1
175.09756	2.5
175.11188	4.8
182.14496	2.4
185.13232	6.5
189.11197	9.0
189.12729	6.1
195.11778	4.0
203.14311	4.1
207.13821	7.3
217.15987	3.3
223.13318	5.3
227.17999	3.5
233.15398	4.2
237.16444	3.2
245.18953	7.1
249.14769	14.7
255.17467	9.6
273.18488	61.9
291.19562	100.0
291.27243	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	291.1955
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
55.05510	7.5
57.07055	3.0
59.04982	4.1
65.46395	1.3
67.05482	4.8
69.07056	1.7
70.72801	1.9
70.73138	2.5
71.04984	3.4
79.05501	7.6
81.07059	6.7
83.08601	5.9
85.02859	1.7
91.05483	4.6
93.07062	11.2
94.60677	1.3
95.04955	5.2
95.08609	14.2
97.06511	3.7
105.07072	8.8
107.04948	10.3
107.08607	9.9
109.06519	4.9
109.10149	3.2
111.08087	36.4
117.06967	1.5
119.08575	7.7
121.06529	2.5
121.10120	5.5
122.07285	2.8
123.08073	32.6
125.35568	1.7
131.08575	4.4
133.06485	3.0
133.10110	5.7
135.08032	4.3
135.11703	2.3
137.09590	2.9
141.05460	1.9
143.08559	1.5
145.10124	4.5
147.08017	2.3
147.11653	4.1
149.09621	6.1
151.07545	100.0
157.10092	5.1
159.08012	2.3
161.09601	3.8
163.11174	3.8
171.11667	1.8
173.13251	4.3
174.10431	1.6
175.11093	3.4
177.09082	2.8
179.10699	3.9
181.12233	2.2
182.44855	1.3
189.12750	27.3
191.14351	9.8
192.11461	5.2
197.11720	16.1
197.13268	2.3
207.13809	67.4
213.16273	2.0
215.14264	2.2
217.12262	3.9
224.23369	1.5
233.15373	28.2
235.13239	2.4
244.40814	1.4
255.17194	1.8
273.18503	4.5
288.64725	1.5
291.19547	46.6
294.75610	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
54.16315	1.2
55.05512	6.3
57.07068	4.6
57.56352	1.2
59.04994	1.8
65.57550	1.0
67.05514	5.8
68.22643	1.0
69.03423	1.9
69.07064	3.8
69.79488	6.5
70.06583	3.1
71.04980	3.2
72.08128	1.3
79.05504	6.3
81.07055	12.0
83.04990	3.1
83.08606	5.2
83.68359	1.1
85.06538	3.1
88.07639	3.1
89.07962	1.4
91.05501	6.7
93.07050	13.6
95.04953	5.7
95.08614	15.4
97.06511	3.8
98.20818	1.7
101.18874	1.2
102.09168	2.0
105.07048	12.5
105.94238	1.2
107.04971	7.2
107.08606	8.8
109.06526	7.4
109.10125	4.1
111.08083	32.0
111.70948	1.2
113.09630	1.8
117.07018	3.0
119.08586	10.2
121.06487	2.1
121.10128	6.4
122.07278	2.0
123.08067	42.2
125.09647	1.4
129.07002	2.6
131.08589	6.4
133.06497	4.1
133.10132	7.6
135.08063	6.1
135.11703	3.5
137.09618	5.1
143.08551	2.3
145.10107	15.3
147.08081	2.8
147.11671	6.2
149.09601	5.4
151.07547	100.0
155.10641	1.4
156.09274	2.0
157.10110	5.0
159.08012	2.0
159.11684	4.3
161.09683	5.4
161.13269	2.5
162.72182	1.2
163.11206	4.0
169.10223	1.3
171.11647	3.8
173.09558	1.8
173.13243	5.1
174.10309	2.3
175.11201	4.2
177.09123	2.3
177.12737	1.7
179.10666	4.5
187.11200	3.2
187.14774	1.8
189.12747	29.4
191.14316	4.1
192.11444	3.6
197.11696	15.7
197.13252	2.4
205.12241	1.3
207.13806	71.8
211.14920	1.6
213.16458	2.0
215.14333	3.6
217.12288	3.3
229.23596	9.3
231.17209	1.6
233.15359	13.4
235.13377	3.3
255.17421	2.6
273.18433	8.8
273.49527	1.2
291.19565	49.4
291.27179	22.9
309.03082	1.2
314.43546	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29253	0.5
56.96565	2.1
69.03419	0.7
69.73287	3.7
70.06596	1.5
72.62843	0.5
74.33849	0.5
85.02940	0.8
98.97582	0.7
101.00885	2.1
103.00632	1.4
103.02495	1.4
110.97604	1.3
113.00860	0.9
114.05489	0.7
115.02483	1.4
116.07150	0.6
117.02168	0.8
119.01918	1.9
121.01696	1.8
128.98637	0.6
131.01929	2.1
133.01645	0.9
133.03479	2.3
142.91008	0.7
143.00134	1.0
143.01921	1.5
145.01602	0.9
145.05090	0.6
147.01376	0.5
147.05064	3.6
155.01865	0.8
157.03500	0.6
160.12524	0.6
161.02969	1.4
163.02644	1.2
163.03893	1.3
165.06001	1.3
173.03006	1.9
175.04503	0.6
183.05054	1.0
189.06200	1.7
201.02432	0.8
201.06204	2.7
203.04021	0.8
217.00241	0.8
221.05167	0.9
255.01747	1.3
273.02911	1.4
291.10565	100.0
292.11011	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96341	0.7
56.96573	8.2
57.03426	1.0
58.66338	0.6
58.99862	0.8
68.98293	1.4
69.03426	1.1
69.73038	3.8
70.06581	1.2
70.98112	2.6
70.99857	1.2
71.05021	0.7
71.06855	0.6
75.01149	0.6
80.73326	0.6
81.03422	0.9
82.99831	6.2
84.08143	2.1
84.96033	1.1
84.99592	1.5
85.01402	2.6
85.02880	2.2
86.09702	1.6
86.99325	1.0
88.99151	1.3
89.00865	0.9
91.02455	0.9
94.99818	1.0
97.01365	1.5
97.02894	2.1
98.20846	0.8
98.97594	9.7
99.02943	1.9
100.12257	0.6
101.00889	32.0
102.00947	1.1
103.00644	8.9
103.02448	5.4
110.68505	0.7
110.97584	1.6
111.02920	1.0
112.82735	0.7
112.99156	1.3
113.00873	14.5
115.00632	1.5
115.02435	8.9
116.56757	0.6
116.98598	1.2
117.02185	2.7
117.04031	3.2
119.01930	33.4
120.02014	1.6
121.01664	9.9
121.03463	0.7
123.04823	0.6
124.99087	0.8
125.00877	0.7
127.02435	5.2
128.04037	0.7
128.98605	2.8
129.03986	10.5
129.33588	0.7
130.08609	0.8
131.00249	1.0
131.01915	20.8
132.01866	0.7
133.01646	1.2
133.03476	13.5
134.03587	0.9
134.99680	0.6
135.03206	4.8
137.00816	1.5
137.01878	0.8
137.02936	2.7
139.02502	1.7
141.03920	1.5
143.00166	1.5
143.01910	21.2
145.01698	4.0
145.03487	10.3
146.02449	0.6
146.99628	2.4
147.01323	1.0
147.03264	1.3
147.05035	33.0
149.01167	1.0
149.02940	3.3
151.02600	1.2
151.04538	1.6
152.02437	0.8
152.52345	0.6
153.04002	2.6
155.01904	14.2
156.02704	2.7
157.02316	0.8
157.03455	5.6
158.99640	2.1
159.01265	1.0
159.04991	4.8
161.02971	34.0
163.02623	5.2
163.04614	1.2
165.03938	0.8
165.06105	3.9
167.01959	1.7
169.03445	1.6
170.99617	2.4
171.01398	2.6
171.05037	9.4
173.01282	2.1
173.02968	18.3
173.06575	1.3
175.00883	1.1
175.02843	1.3
175.04538	4.1
177.00681	1.5
178.01041	1.0
179.02071	0.9
181.03664	1.3
183.03583	1.1
183.05034	5.3
185.03015	6.9
185.06606	4.7
187.00917	3.1
187.02597	1.0
187.04483	1.6
189.00685	4.0
189.02463	6.2
189.06091	25.3
191.02353	1.1
191.04056	6.7
193.03728	1.4
195.05017	1.7
196.02084	0.9
197.02950	1.2
199.00894	1.2
201.00748	1.6
201.06093	31.5
203.02307	1.4
203.04024	12.4
203.07689	5.9
205.01945	2.0
205.09439	0.8
206.07036	0.8
207.01686	1.1
207.05063	1.2
209.03125	0.8
210.06622	1.7
213.06145	3.6
215.07654	1.2
217.00473	3.1
217.01871	3.5
217.05495	1.0
219.01651	3.7
219.03656	1.1
219.07123	2.6
221.03278	1.4
221.05115	9.8
224.07823	0.7
225.06099	8.5
229.02031	1.4
231.01509	3.2
231.03722	1.0
231.07191	5.0
233.01414	0.7
235.03081	1.3
237.02754	1.4
238.05992	0.8
243.07141	1.4
245.04984	2.5
247.03011	4.7
247.06645	1.5
248.99071	1.1
249.02589	3.2
249.08287	0.8
255.01801	1.3
259.03009	3.0
259.05518	0.8
261.08371	2.1
263.06189	0.9
265.03964	0.8
267.00092	1.0
273.02570	1.1
273.08215	3.4
273.10837	0.8
277.04080	5.1
279.03775	0.7
279.09317	1.0
291.03903	2.5
291.09863	100.0
292.09528	2.3
297.97214	0.6
309.04935	1.1
309.10422	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	291.0864
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
55.01863	1.9
55.05506	0.9
55.45335	0.4
55.86644	0.4
57.40814	0.4
58.40914	0.4
58.86847	0.4
65.03936	1.4
67.05508	1.2
67.90611	0.5
68.30609	0.4
68.99792	1.8
70.06596	0.6
71.00515	0.7
71.00861	0.7
72.08157	3.1
78.03623	0.5
81.03402	0.5
83.04972	1.5
84.08163	0.7
84.93077	0.4
86.09717	0.4
91.05483	2.1
93.03394	1.2
95.04986	3.2
105.03416	0.4
105.07095	0.5
107.04982	0.8
111.00833	0.5
111.04454	3.0
115.05459	1.4
117.06977	0.6
119.04944	6.8
120.08154	0.5
123.04433	68.8
126.46484	0.4
127.03916	1.2
130.06551	0.5
132.08337	0.5
133.06505	0.9
135.04413	1.0
137.02324	0.8
137.05989	1.0
139.03909	100.0
140.04250	1.1
143.04945	2.7
147.04416	21.9
151.03902	1.8
151.07552	0.6
153.05490	0.8
161.05978	7.6
163.03944	1.7
165.05487	14.6
169.05011	1.9
173.23912	0.5
177.05533	1.2
179.05705	0.4
179.07054	2.8
181.05078	0.8
186.88605	0.4
189.05443	2.2
197.16713	0.4
205.08719	0.6
207.06522	6.4
236.49683	0.5
249.07611	1.3
258.43668	0.5
273.07736	1.1
291.08636	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0974
Annotation	N2-Malonyl-D-tryptophan
Peak:m/z	Relative Intensity
55.01856	1.3
55.05500	4.3
57.07071	2.6
63.32454	1.2
65.91719	1.0
67.05491	2.9
68.99780	1.7
69.03412	3.6
69.07058	1.8
70.06580	3.1
71.48985	1.1
72.08148	1.2
79.05486	2.8
81.03395	3.7
81.03828	1.1
81.07045	3.1
83.04961	2.8
83.08621	2.0
84.04492	4.7
84.08151	1.5
85.02888	4.0
85.04827	1.4
85.06557	5.1
85.06969	0.9
86.06868	1.9
86.09670	1.1
87.00813	3.0
88.04022	1.7
91.05486	1.9
93.07038	3.5
95.04951	2.1
95.08591	1.9
97.02885	2.6
97.06521	3.2
98.06856	1.7
99.04424	1.5
100.11264	2.3
105.07024	3.1
107.04931	1.0
107.08598	2.4
109.02863	3.6
109.06554	1.6
109.10133	1.4
111.04442	3.7
115.05415	5.4
117.05704	2.0
117.07003	1.7
118.06546	11.9
119.08573	2.9
120.01150	2.3
121.10137	2.3
123.04432	1.6
125.09608	2.9
127.03928	5.4
128.07045	2.0
129.07021	2.7
130.06529	100.0
131.04866	1.0
131.08528	1.8
132.08092	40.1
133.10176	1.2
133.61502	1.0
135.07941	1.5
135.11765	1.2
136.06227	1.3
137.05927	1.3
139.03937	1.5
141.11432	1.9
142.06532	12.4
143.07329	1.2
143.08606	1.0
143.58556	1.0
144.08084	9.7
145.10100	2.6
146.06023	19.1
147.11644	2.3
149.09569	2.1
151.07491	2.2
151.11261	1.5
155.11160	1.3
156.02921	1.4
156.08025	3.6
157.07643	5.6
158.06026	3.3
158.08412	5.2
159.09183	91.6
160.07591	6.5
161.02344	7.8
163.11098	2.1
167.06075	2.5
169.07619	2.3
170.06023	33.8
171.04497	1.1
174.03981	1.7
181.07605	2.6
182.15427	3.3
183.09204	5.1
184.07587	16.6
185.07100	38.7
187.08636	4.2
188.07063	39.8
189.12709	1.2
199.18040	1.5
200.07114	8.0
200.10974	1.5
201.10266	13.3
204.66344	1.9
205.09587	1.1
209.07123	1.9
218.66295	1.6
219.16405	1.1
223.24986	1.3
227.08168	45.0
227.17805	1.5
229.09744	3.0
231.07712	3.0
244.12210	1.0
245.09227	74.0
255.07700	3.8
273.08658	5.1
273.12161	2.3
273.18524	1.4
291.09048	4.2
291.13058	4.6
291.16339	1.8
291.19556	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	291.0863
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
51.02392	0.4
53.03944	0.6
55.01873	1.2
58.92445	0.4
65.03941	1.1
67.05501	1.0
68.99786	2.0
70.86662	0.7
77.03937	0.5
82.87347	0.3
83.04988	1.1
91.05487	2.1
91.31789	0.4
93.03406	1.0
95.04986	2.7
97.02914	0.6
105.03360	0.6
105.07029	0.5
107.05011	0.4
107.15445	0.3
109.19189	0.4
111.04453	3.6
115.05488	1.4
119.04953	6.3
123.04435	64.7
124.04844	0.4
127.03922	1.4
133.06505	1.0
133.33150	0.3
137.02327	1.1
137.05980	0.8
139.03908	100.0
140.04285	0.5
143.04930	2.5
147.04413	21.7
151.03911	1.8
151.07570	0.8
153.05431	0.5
161.05997	7.4
163.03902	1.6
165.05484	14.5
169.04985	1.7
177.05464	0.6
179.07024	3.4
181.00569	0.3
181.04919	1.0
184.79594	0.4
189.05493	1.4
207.06557	6.0
231.06557	0.4
249.07587	1.6
273.07654	1.6
291.08600	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	291.084
Annotation	Unknow
Peak:m/z	Relative Intensity
69.78719	12.5
69.79116	6.5
111.51688	3.3
141.41757	2.9
197.52361	3.3
198.69069	2.8
242.41296	2.9
291.10703	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	82.8
57.25357	4.4
61.02921	4.6
69.03421	7.4
69.85779	7.1
69.86198	17.0
70.06600	7.6
84.08118	7.4
84.96021	5.7
84.99615	3.9
85.01407	5.4
85.02899	11.7
87.53490	4.4
89.93630	4.6
90.25567	4.3
97.02879	8.4
98.20876	4.9
98.97591	100.0
101.00877	19.4
103.00648	16.5
103.02459	9.6
105.61823	5.1
110.97588	29.6
113.00897	9.5
115.02429	6.6
115.41277	4.5
116.98643	24.7
117.02183	6.0
119.01910	17.4
121.01653	14.5
124.99122	24.3
127.03889	6.2
128.98596	21.7
129.00276	5.0
129.62234	4.2
131.00148	4.7
131.01898	10.5
131.38252	4.7
133.03511	7.4
135.03217	4.8
137.05983	12.4
143.00183	22.9
143.01894	12.3
145.01642	5.7
145.03508	5.4
146.99680	13.1
147.01422	6.7
147.03188	6.5
148.04918	4.9
149.02867	5.2
152.98660	6.5
155.01889	7.1
157.03465	8.5
158.99655	30.0
161.01151	9.3
161.02986	11.1
163.02713	10.8
163.03902	7.4
170.99646	15.7
171.01439	8.0
173.01274	5.8
173.02982	8.7
174.99187	6.3
175.00652	10.7
177.00681	15.4
185.01176	12.7
185.02814	5.5
189.00716	14.3
189.02469	9.7
191.00168	5.4
191.02193	8.9
193.01749	8.6
193.03438	5.7
201.06168	12.1
203.02309	7.8
203.04080	9.0
205.00246	6.9
209.01344	6.0
211.02777	5.2
213.00690	10.0
217.00157	4.4
219.01822	13.3
221.03128	7.7
221.05040	7.3
226.62692	6.0
229.05669	7.3
231.01700	11.7
237.00647	13.9
237.02727	9.3
248.99088	8.6
249.02800	15.3
255.01778	35.2
267.03964	6.3
273.02554	21.8
273.07767	4.7
291.03738	27.4
291.08420	43.4
309.04910	16.2
309.08514	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	2.2
55.05268	3.8
55.05515	43.4
56.22733	1.9
57.07082	5.1
58.99583	7.3
59.05005	77.8
63.22366	1.9
65.03940	6.2
66.99234	2.3
67.05508	45.5
69.07073	27.8
70.06586	13.0
70.62882	3.7
71.04992	6.1
72.08138	3.1
72.63422	2.3
74.00670	3.9
76.02236	15.1
81.07071	18.3
83.04985	100.0
84.04504	5.3
84.08160	6.0
85.06497	2.6
86.01960	1.9
86.09698	3.4
88.03994	10.1
91.05460	3.4
93.07048	13.8
95.04980	74.9
97.06559	6.5
99.02657	2.2
101.04215	2.3
101.06031	8.3
102.44437	1.9
103.02161	8.0
105.00114	4.6
105.07021	4.0
107.08595	42.6
109.06512	6.2
109.10160	36.8
111.08090	59.3
113.06028	7.9
117.03436	2.3
118.82336	1.8
120.01176	6.5
120.08150	3.7
122.02735	44.4
123.04443	37.6
123.11712	25.6
124.04772	18.0
128.05299	4.1
132.01141	2.1
133.10144	3.9
138.02219	3.1
139.03909	32.6
140.04260	5.1
140.07079	4.7
147.04437	6.3
151.11188	52.1
159.06366	3.3
161.05927	2.7
163.03935	4.8
164.04268	6.5
165.05476	3.6
169.03134	2.5
169.12239	3.8
174.05847	24.9
188.07491	3.7
190.05377	9.0
204.06972	4.8
207.06465	2.1
216.06897	11.3
246.04845	2.6
246.17094	2.9
253.23866	2.4
272.13138	45.5
290.07715	4.6
290.14175	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	20.8
58.99600	7.4
64.48814	1.6
67.05498	4.5
69.07075	98.3
70.73756	3.2
71.04998	46.0
73.06560	19.1
76.02238	12.5
79.05469	1.7
81.07051	6.6
83.04988	100.0
84.04523	8.3
85.02901	3.1
86.09713	2.0
86.99043	6.3
95.04985	3.8
97.06523	15.0
97.22070	1.5
101.04234	2.3
103.02164	3.7
103.03942	2.0
105.00080	7.1
109.06522	7.6
109.10110	2.5
122.02738	68.9
123.04488	1.8
123.11698	4.5
126.05486	2.3
128.05260	2.3
141.08453	1.8
151.11189	27.8
162.98332	1.7
169.12256	33.4
174.05820	3.4
192.06985	1.7
201.09467	2.8
204.06914	5.2
244.15392	2.6
254.00116	1.6
272.12976	1.8
290.14014	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	290.1421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.3
55.01870	2.2
55.05504	5.6
55.58820	1.2
56.05036	1.7
57.03437	2.5
57.07079	52.2
60.04536	1.4
61.02924	1.4
67.05505	7.1
68.99793	3.2
69.03425	2.8
69.07069	6.8
70.06586	4.0
70.87383	1.3
70.87713	2.3
71.04995	6.5
72.08173	2.4
73.02908	2.5
73.06550	5.3
74.00671	15.6
76.02227	1.4
79.05495	4.7
81.03423	2.4
81.07056	7.7
82.06606	1.6
83.04991	7.2
84.04511	56.4
84.08140	3.3
85.02893	7.6
85.06548	57.0
87.00821	5.3
88.03988	4.1
89.06025	1.8
91.05493	3.0
91.44469	1.3
92.01708	4.9
93.07046	2.5
95.04982	9.8
96.04530	1.9
97.02882	3.0
97.06536	100.0
98.06049	2.2
100.11263	2.0
101.04272	2.2
103.03934	8.8
103.78559	1.3
105.00101	1.5
109.02953	1.5
109.06530	4.8
109.10181	1.9
120.01175	29.8
120.08117	2.8
120.99558	11.8
121.06520	1.4
122.02760	8.7
123.11716	7.4
126.05511	14.8
127.03946	2.3
129.01909	3.5
130.06522	10.1
132.08102	3.5
133.10149	2.9
138.02205	21.9
144.08037	1.5
146.05998	2.5
147.02875	2.5
147.04712	1.7
151.11180	17.0
153.12749	11.7
157.07632	3.6
159.04356	1.2
159.09251	6.6
168.06639	2.8
169.12244	16.3
170.06046	3.8
185.07115	3.8
186.07684	2.1
188.07133	1.7
189.03961	3.5
204.06822	1.6
227.08208	2.9
245.09131	6.8
272.07501	1.4
290.08817	5.5
290.11676	2.7
290.14554	4.6
290.18134	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.253
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
55.01875	3.6
55.05508	21.0
57.07067	9.9
65.03925	4.2
67.05511	39.4
69.03416	4.3
69.07072	32.7
71.04993	5.9
71.48910	2.8
71.49280	4.5
79.05496	27.6
81.06602	6.0
81.07064	100.0
83.08605	14.9
85.06541	6.0
85.91134	2.6
91.05500	37.1
93.07049	54.6
95.04980	5.0
95.08614	86.6
97.06528	12.2
97.07091	3.0
97.10155	8.9
105.07040	54.6
107.07896	3.1
107.08601	54.0
109.06546	5.1
109.10163	60.7
117.07015	9.0
119.08593	42.4
121.10146	38.9
123.08059	3.2
123.11720	32.1
125.09620	6.6
127.03944	3.7
127.11146	4.7
127.68265	3.2
128.74118	3.1
131.08557	13.3
133.10126	34.1
135.11710	28.0
137.06004	3.7
137.13266	5.7
143.08557	3.8
145.10146	16.7
147.11693	26.6
149.08372	3.0
149.13278	19.7
159.11748	15.0
161.13248	26.6
163.14867	19.9
171.58540	3.0
173.13298	10.3
175.14810	15.0
177.16443	5.2
187.14854	9.6
189.16360	16.4
201.16418	10.9
203.17940	7.9
215.17937	9.5
219.17519	3.9
229.19536	3.6
271.24203	32.3
289.14462	7.0
289.18439	4.7
289.21619	25.2
289.25272	69.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2527
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
53.03937	4.3
55.01859	2.9
55.05310	2.0
55.05513	20.2
55.08978	2.5
56.64193	2.9
57.07072	4.5
65.03952	2.5
67.05511	32.2
69.07071	22.0
70.13057	9.7
79.05502	44.8
80.05881	2.3
81.03405	2.4
81.07061	58.0
83.08614	9.5
85.06532	4.3
91.05486	27.8
93.07047	58.1
95.01315	2.8
95.04962	3.4
95.08614	53.0
97.06533	2.6
97.10172	10.2
105.07039	21.0
107.08590	38.1
109.06482	3.4
109.10157	21.8
111.08038	3.0
117.07010	5.4
119.08596	20.4
121.06528	2.6
121.10149	32.4
123.11700	7.9
127.03963	3.3
131.08542	9.6
133.10114	12.9
135.11690	31.5
137.05898	2.1
137.13231	3.6
145.10147	10.6
147.11678	19.0
149.13266	23.0
151.14857	2.4
159.11665	11.5
161.13312	14.0
163.14845	15.0
171.04570	2.3
172.77165	2.2
173.13245	14.4
175.14784	11.4
177.16415	5.1
187.14874	7.5
187.99283	2.3
189.16344	6.1
191.18044	2.9
193.15924	3.8
201.16324	3.0
203.17868	2.6
215.17838	3.8
233.11557	2.7
233.19009	3.4
271.24258	18.8
289.14508	15.3
289.17499	3.2
289.21756	5.9
289.25250	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1548
Annotation	N-(3-Indolylacetyl)-L-leucine
Peak:m/z	Relative Intensity
53.37383	0.4
55.05500	1.5
57.03446	0.5
65.03952	0.5
67.05495	2.1
69.07065	2.1
69.34869	2.6
73.80092	0.3
79.05500	2.9
80.05041	0.4
81.05791	0.6
81.07056	6.8
83.04971	0.8
83.08624	0.8
91.05483	6.3
92.06288	0.5
93.07048	3.9
94.06561	1.0
95.04972	0.9
95.08619	4.5
96.08128	2.2
96.77590	0.3
97.06481	0.8
97.10162	0.5
99.08096	0.4
103.05426	0.6
104.04990	0.4
105.07041	3.0
106.06577	1.8
107.08608	3.0
108.08115	1.2
109.06526	0.9
109.10163	3.0
114.44836	0.4
116.04984	1.3
117.05763	1.5
117.07006	0.4
118.06544	7.3
119.07311	1.2
119.08588	2.4
120.08114	13.2
121.06543	0.4
121.10145	2.6
122.09687	0.8
123.11697	1.4
124.07594	10.9
126.09120	0.9
131.08549	0.8
133.05222	0.4
133.10124	1.9
134.06021	7.1
135.08029	0.6
135.11699	1.6
136.07588	6.2
137.13248	0.7
138.05507	2.3
138.09158	0.6
139.11154	0.4
145.10094	1.3
146.04848	0.5
146.06004	10.4
147.06781	2.5
147.07915	0.7
147.11708	0.8
148.06398	0.7
148.07578	11.4
149.09564	0.4
149.13280	1.2
150.09148	0.5
152.07076	0.8
155.08527	0.5
159.08084	1.0
159.11734	1.1
161.13345	1.0
163.03889	0.4
163.14859	1.0
164.07074	100.0
165.07594	1.2
166.08658	3.8
172.11249	0.6
173.09532	0.4
173.13309	0.8
175.14813	0.8
177.16402	0.5
187.14789	0.5
191.17923	0.6
198.12819	0.5
200.10753	1.1
203.17972	0.6
203.30510	0.4
214.11012	0.9
215.15457	1.7
215.17860	0.5
216.10220	2.5
219.03680	0.4
228.10419	0.4
229.13332	1.4
243.14958	5.9
245.16472	2.8
253.13367	1.6
253.15714	0.4
254.11813	1.1
263.54288	0.3
271.14423	25.6
271.24203	1.1
289.15469	74.1
289.24850	3.1
290.15906	1.2
295.27588	0.4
307.61786	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0709
Annotation	2,6,3',4'-Tetrahydroxy-2-benzylcoumaranone
Peak:m/z	Relative Intensity
51.02374	0.9
52.35843	0.3
53.03941	1.0
55.01864	1.6
55.05512	0.6
56.05024	0.5
58.26997	0.4
59.04998	0.7
62.67185	0.4
62.80061	0.4
65.03934	0.9
67.01881	0.5
67.05506	3.0
68.99806	2.2
69.03436	0.7
69.07050	0.4
69.17687	0.9
69.18103	2.6
70.06601	1.8
71.04988	0.9
72.08162	1.0
77.03937	1.9
79.05497	1.5
81.03417	1.0
81.07056	0.7
83.01350	1.5
83.04979	1.2
84.08138	1.5
85.02901	0.8
86.09690	1.1
89.03911	2.6
91.05488	1.2
93.03393	1.0
95.04978	4.6
96.88847	0.4
97.02892	0.5
98.05969	0.3
103.05483	1.4
105.03390	2.5
105.04517	0.9
105.07054	0.5
107.04971	2.3
107.08602	0.4
109.02885	0.8
109.10154	0.8
110.07146	0.4
111.00800	1.3
111.04461	1.6
111.08105	0.5
115.05457	1.0
117.03380	4.3
119.04955	0.8
123.04434	100.0
127.03915	1.5
129.01828	0.5
129.07031	0.5
129.10226	0.7
130.06541	7.4
131.04932	2.0
132.01146	0.9
132.04457	2.3
135.04431	7.9
136.07559	0.8
137.05943	0.4
139.03909	22.1
141.06961	0.8
145.02852	4.1
148.74084	0.4
149.05977	0.7
151.03905	6.1
153.01770	0.4
153.06984	0.5
157.07639	4.1
158.06033	6.7
159.04422	3.0
161.05962	1.0
163.03911	25.0
168.85269	0.4
169.06480	0.7
171.04457	0.4
175.08719	3.4
177.05467	1.6
183.04356	0.4
185.05917	0.7
187.03876	3.9
187.05287	0.4
197.05760	1.9
199.08708	1.5
201.05406	0.8
205.04993	4.3
215.07027	0.7
215.11989	0.4
217.05003	0.5
225.05411	1.1
229.05011	1.6
231.33971	0.4
243.06696	1.6
243.11230	0.4
245.04512	6.7
245.09474	0.4
261.08383	0.5
271.06158	1.1
271.10861	0.7
271.14334	0.8
289.07108	11.4
289.11874	3.1
289.15350	0.8
289.20621	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.6
56.96548	2.9
57.03426	5.7
58.99869	2.3
61.02923	6.9
69.03427	11.0
69.72907	4.5
69.73320	4.4
70.06586	5.5
70.99856	6.1
71.04990	3.3
72.99632	1.9
73.02926	11.3
74.73492	1.5
81.03407	5.4
81.04510	4.4
82.99837	14.3
84.08138	3.9
85.01411	2.6
85.02903	21.0
86.03250	2.1
89.00873	2.0
90.87924	1.8
94.99815	2.0
97.01395	5.8
97.02896	11.4
98.97585	6.4
101.00886	96.6
103.00619	1.5
103.02430	2.0
113.00867	15.3
115.02431	21.9
116.73127	1.7
116.98676	1.6
117.04037	2.2
118.10205	1.4
119.01924	100.0
120.02032	2.9
120.10881	1.6
125.00897	1.7
126.98779	3.6
127.02420	6.3
127.03941	12.9
127.04903	2.6
128.98622	2.8
129.00409	1.9
129.03975	8.2
129.10219	2.5
131.01906	26.9
133.01758	1.8
133.03479	38.3
134.03645	1.7
135.04378	2.0
137.02968	9.5
138.03764	1.8
139.02400	2.9
142.03497	1.6
143.01906	47.7
144.02045	4.4
144.99808	5.1
145.01680	3.3
145.03473	13.9
145.04942	3.0
146.99597	2.6
147.01379	8.2
147.04016	2.4
147.05045	8.0
149.02966	3.2
151.04555	3.8
152.02216	2.1
153.00299	2.2
153.03955	2.4
155.01828	9.0
156.02066	3.2
157.01627	3.0
157.03459	9.5
158.99646	2.1
159.01369	3.3
161.02953	61.3
162.03114	2.5
162.04532	2.9
163.02676	4.4
167.01956	2.1
168.99835	19.9
171.01379	15.3
173.02977	20.8
174.03105	2.0
174.99289	2.0
175.00891	4.0
175.02705	2.9
175.04527	5.5
177.02454	2.7
180.99762	2.0
183.04953	3.6
183.55093	3.7
185.02930	11.6
187.00891	33.2
187.02588	2.1
187.04553	4.5
187.06128	1.8
189.00899	2.9
189.02472	16.1
191.03984	14.7
192.05588	2.3
193.03542	2.9
193.05463	2.5
196.99341	9.0
197.03020	5.0
198.55583	5.6
199.00888	20.9
199.06285	3.0
200.04408	8.0
201.00778	1.9
201.02467	9.0
203.04013	9.6
205.01912	5.6
205.03720	3.7
207.03511	3.9
213.02472	2.6
214.98479	3.3
215.00386	35.2
215.03719	2.4
217.01956	26.1
219.03566	13.0
221.03116	3.6
221.05075	8.4
229.01924	11.5
231.03484	3.0
233.01541	4.4
235.03023	2.7
239.06107	3.9
245.05122	2.3
247.02988	36.2
247.05504	2.3
259.03076	3.8
263.06085	2.3
265.04080	7.0
275.02469	2.5
277.04181	2.6
288.72592	1.6
289.04062	11.0
289.07019	3.9
289.12411	4.1
289.16147	3.1
295.07257	1.9
307.05121	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	289.0408
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	1.7
67.28488	1.1
68.20348	1.4
69.47894	8.6
69.48221	1.9
70.06599	2.0
70.99856	3.1
72.08131	1.2
74.34763	1.3
82.99835	16.0
84.08134	2.4
85.01407	1.5
85.02911	2.4
86.09709	2.1
86.55284	1.1
97.01404	4.1
98.97590	2.0
101.00890	100.0
110.97620	1.8
113.00883	15.0
115.02438	24.3
116.49782	1.2
117.04025	1.6
119.01929	88.1
126.98739	2.1
127.02488	2.7
127.51450	1.2
129.00325	9.5
129.03970	3.4
131.01915	21.6
133.03482	42.9
137.02962	5.8
139.02467	2.0
143.01913	30.7
144.99831	2.6
145.03441	9.2
147.01410	13.5
147.05045	2.2
149.02956	3.9
151.04532	3.8
153.00323	4.3
155.01891	2.7
156.99876	1.6
157.03520	9.9
159.01425	5.4
161.02966	44.4
167.01897	1.2
168.99838	17.6
171.01413	27.3
172.94456	1.1
173.02982	20.1
175.00897	8.1
175.04572	3.0
177.02483	2.4
180.99878	4.3
185.02972	15.9
187.00897	31.2
187.04567	1.8
189.02466	23.0
191.04030	10.9
193.03531	1.2
196.99347	2.5
197.03049	1.4
199.00888	35.5
201.02467	15.6
203.04077	4.7
205.01942	5.3
207.03493	5.9
209.02986	1.6
213.02426	1.5
215.00397	11.4
217.01958	62.0
219.01630	2.0
219.03534	21.8
227.04071	2.7
229.01927	9.2
231.03581	4.0
233.01405	2.6
235.03059	8.0
237.04712	1.5
240.03630	1.3
245.05077	1.5
247.03024	21.8
259.02866	1.9
265.04105	10.4
275.02408	1.3
277.04028	2.7
289.04089	46.4
289.06973	2.2
289.20685	2.3
307.05197	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.6
55.05516	1.5
57.07080	76.9
57.51633	0.6
58.06621	1.1
58.99582	1.8
64.40362	0.5
67.05505	2.4
69.03422	0.7
69.07076	2.6
69.49784	3.5
70.06599	3.1
71.05000	1.0
75.16035	0.5
76.49140	0.5
77.38336	0.5
79.05508	1.6
79.72141	0.5
81.03423	0.7
81.06631	0.6
81.07060	3.2
83.04997	1.0
84.08145	0.7
85.02893	0.8
85.06551	100.0
86.09727	2.6
86.99059	2.2
88.02245	0.8
90.03793	7.1
91.05506	2.2
93.07077	2.7
94.06613	0.7
94.07370	0.7
95.04984	0.9
95.08610	2.7
96.08946	1.0
97.06542	7.9
98.97581	0.9
101.04223	0.6
102.05560	1.2
105.00103	2.5
105.07093	1.5
106.07405	0.6
107.04971	1.2
107.08626	2.5
108.05257	0.7
109.06562	0.6
109.10169	1.3
111.08137	0.9
117.07023	0.6
119.08618	2.0
120.08144	1.5
121.02855	0.8
121.06486	3.9
121.10160	1.3
122.06133	0.8
122.07113	0.6
122.10500	0.8
127.04026	0.6
131.08603	1.1
133.10086	1.1
135.11674	0.9
136.04283	32.8
145.10056	0.7
146.10446	0.6
147.11681	1.3
148.07626	0.8
149.09676	1.1
153.01860	1.4
153.12752	20.3
154.02190	0.6
159.11711	1.0
160.12106	0.9
161.13240	0.8
163.03940	0.6
173.06412	0.8
175.11990	1.1
178.12279	4.3
202.16705	1.3
204.10503	1.0
207.06889	1.2
220.10060	1.0
227.06982	0.9
239.44139	0.6
242.15813	0.8
244.13354	0.6
245.10435	0.6
256.10458	0.9
270.13425	1.1
270.23065	1.0
288.05838	14.3
288.09512	1.6
288.13144	1.1
288.16357	20.6
288.20319	2.3
288.23572	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	288.0901
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65413	0.4
53.45144	0.5
55.01887	0.4
55.05518	0.8
57.07095	0.6
58.52551	0.5
58.99581	2.5
59.97110	0.4
65.03966	0.7
67.01886	0.7
67.05525	1.2
68.01427	0.6
69.03436	0.6
69.07086	0.7
70.06599	0.7
70.08649	1.8
73.01143	19.4
79.05519	1.0
81.07054	2.0
82.06584	3.8
83.05016	2.0
84.04506	9.5
84.08163	0.9
85.02950	0.4
86.09749	0.7
86.99049	2.7
91.05495	0.7
93.06553	0.4
93.07088	1.6
95.04993	0.5
95.08646	1.5
97.06535	3.4
98.00685	1.2
98.97659	0.5
99.02670	6.0
100.02228	2.6
101.04309	0.4
105.00090	3.3
105.07067	0.6
106.07398	0.6
107.08656	1.1
108.04501	1.1
108.12102	0.4
109.10186	0.7
110.06051	5.5
110.06700	0.6
119.08633	1.0
121.06458	0.5
121.10213	0.6
121.22356	0.4
124.07607	9.1
126.00104	21.8
127.02209	0.6
135.11719	0.8
136.04298	1.2
137.05986	1.0
138.06297	0.5
139.02184	1.4
140.05316	2.0
141.03702	1.1
142.03307	0.7
145.03198	12.4
146.02719	6.4
147.11809	0.5
148.07567	0.5
153.12727	3.2
154.05020	0.6
154.06886	0.7
163.07585	0.5
164.07928	0.9
165.03751	0.5
167.08412	0.7
168.08949	2.3
170.02682	0.4
172.00642	20.8
182.06378	5.1
186.05856	11.7
186.07449	0.8
195.08034	0.6
196.08372	2.4
198.06204	0.5
200.07401	0.6
210.05826	0.5
224.07875	0.8
227.10643	0.6
228.06895	100.0
232.02768	1.8
252.67241	0.5
256.10516	2.5
260.04059	0.4
288.05902	1.4
288.08975	20.5
288.12747	1.4
288.15869	0.6
288.20242	1.0
288.24017	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1279
Annotation	3'-Hydroxy-3,4,5'-trimethoxystilbene
Peak:m/z	Relative Intensity
51.06779	0.2
53.03941	0.4
55.01861	0.8
55.05513	0.9
57.03429	0.3
63.00031	0.2
65.03932	0.4
67.01872	1.5
67.05486	0.6
67.86444	0.2
68.99799	2.2
69.03432	2.7
69.07066	0.3
70.06575	0.6
71.04992	0.3
71.47778	0.2
72.08152	1.9
76.35249	0.2
78.04714	0.2
79.05494	1.7
81.03400	0.7
81.07058	1.3
81.07442	0.2
83.04971	0.8
84.08157	0.9
85.02920	0.6
85.06502	0.5
86.09701	0.5
89.03927	1.1
91.05480	3.2
93.07053	1.1
94.04178	0.6
95.04966	1.1
95.08599	0.5
97.02878	0.2
97.06522	0.4
103.05481	2.6
105.03379	0.5
105.04500	0.3
105.06405	0.3
105.07039	3.3
107.04966	2.1
107.08585	0.7
108.00224	0.2
109.02856	0.2
109.06519	2.5
109.10118	0.3
111.00790	0.4
111.04430	1.2
111.08062	0.4
113.05984	0.3
113.09691	0.2
115.05457	0.7
117.03375	1.1
117.07063	0.9
118.06551	0.4
119.04961	0.8
119.06020	0.2
119.08576	0.5
120.05681	0.3
121.02895	0.4
121.06505	6.0
121.10165	0.3
122.03642	0.7
122.06052	0.2
123.04413	0.8
123.08076	0.5
124.05201	0.3
125.02383	0.2
125.05964	0.5
125.08753	0.4
125.09629	4.3
127.03902	0.2
128.06250	0.3
129.01869	0.4
129.06985	0.6
129.09097	0.2
129.10243	0.3
129.31499	0.2
130.04192	0.3
131.04932	2.8
131.08568	0.4
133.02850	0.4
133.06470	0.8
133.10101	0.4
134.03650	0.7
135.03409	0.3
135.04419	5.2
135.06981	0.3
135.08054	5.9
136.05209	0.3
136.07585	0.5
137.02373	1.6
137.05981	10.9
137.09560	0.4
139.07542	0.9
141.06993	0.8
142.07761	0.3
143.04936	0.8
143.08517	0.3
145.06500	1.0
145.10127	0.5
146.03630	0.2
146.05972	0.5
147.04416	2.0
147.08047	0.3
147.11575	0.4
148.05203	1.0
149.05991	7.5
151.03915	0.5
151.07549	7.0
152.06215	6.3
153.01836	13.6
153.06952	0.7
155.08536	0.4
156.09381	0.4
157.06468	1.0
157.10123	0.3
159.04462	0.2
159.08060	0.2
161.02332	1.5
161.05968	1.0
162.06738	0.6
163.03917	0.9
163.07542	11.5
164.08380	0.3
165.01770	0.3
165.05588	0.3
165.06992	4.8
165.09079	1.9
166.07779	4.5
167.08566	20.9
169.06491	1.9
171.02838	0.6
171.04340	0.4
171.07985	0.4
171.11742	0.2
173.05981	0.2
174.06776	0.5
175.07556	0.9
176.06210	0.6
176.08273	0.3
177.05571	0.4
177.06995	2.1
177.09091	1.0
178.07793	0.3
179.03503	0.3
179.07076	0.2
179.08517	0.4
180.05716	0.4
181.06461	1.5
181.10158	1.3
183.08067	1.1
184.05247	0.2
184.08881	1.6
185.05962	0.6
187.07587	0.3
189.05444	0.8
189.09023	0.3
191.08690	0.3
193.06541	0.2
193.13858	0.2
194.07272	2.5
195.08061	26.7
196.08830	1.2
197.05991	5.3
197.07727	0.4
197.09630	0.3
199.03819	0.3
199.11183	0.6
199.14755	0.2
201.09061	0.4
202.02432	0.3
203.03336	0.9
203.06966	0.3
205.06546	0.6
207.08145	0.2
208.05345	0.3
209.09662	2.5
210.10112	0.2
211.07484	1.8
212.08308	5.2
213.05455	1.2
213.08929	0.4
217.04958	2.4
221.05919	0.3
222.06828	0.4
223.07533	8.9
224.08257	0.5
225.05466	0.7
225.09085	0.3
226.09952	0.3
227.10669	27.3
228.10930	0.4
231.06551	0.7
237.09076	1.0
239.07118	0.5
240.07819	2.2
241.04927	1.8
241.09995	0.2
241.12326	0.7
245.04431	0.5
251.16499	0.5
255.10167	20.6
256.10852	0.8
258.05164	0.3
259.05832	0.3
259.13397	0.4
263.05615	0.2
269.04477	1.0
269.09158	0.3
269.11578	0.9
269.17517	0.6
269.22421	0.2
272.10431	0.8
286.07892	0.2
287.05511	100.0
287.12567	13.6
288.05859	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1128
Annotation	Methylarbutin
Peak:m/z	Relative Intensity
53.03927	2.9
55.01871	2.4
55.05515	15.2
56.05029	4.6
57.03452	8.2
57.05807	1.6
60.04507	2.5
61.02933	6.5
63.00042	2.1
63.91575	1.2
65.03938	8.8
67.05492	3.4
69.03431	1.9
69.07076	3.6
69.49908	7.9
70.06598	18.4
71.06916	2.5
72.08162	100.0
73.08492	4.4
75.04478	4.9
79.05502	15.0
81.03423	11.4
81.07048	1.9
84.04495	4.0
84.08151	41.2
85.02904	2.2
85.08467	2.3
86.09700	8.4
91.05493	11.2
92.05791	1.4
92.36372	1.2
93.03414	11.7
93.07036	1.5
94.63089	1.2
95.04961	5.8
97.02878	1.7
98.97626	1.6
98.98466	3.0
102.05553	1.3
103.05463	2.2
105.03410	3.0
107.04965	26.6
109.02886	5.4
109.06514	1.4
110.03688	16.6
110.06075	1.3
111.04449	12.7
115.05465	2.5
116.04987	2.5
116.07119	1.9
118.06559	19.4
119.04948	5.6
120.08098	6.1
121.06496	6.1
122.03653	3.4
123.04449	9.1
125.06007	73.3
128.07091	2.6
129.10263	7.8
130.08659	9.8
131.04935	2.4
131.09373	1.9
133.02872	9.4
135.04430	21.9
135.06804	16.9
136.07626	7.3
137.05975	5.4
143.07005	2.2
146.06017	29.4
147.04405	4.3
147.06363	2.3
147.07964	1.2
147.11282	8.2
148.11694	1.2
149.06006	13.8
150.03082	5.7
151.03928	65.3
151.05052	8.2
151.07530	1.4
152.04698	1.4
153.05501	6.7
162.03175	3.3
163.03928	12.1
163.07561	4.7
165.05490	28.2
167.07050	16.1
173.09311	6.7
174.09607	2.4
175.11922	1.3
175.62823	1.1
177.05487	27.5
177.06749	1.2
180.04192	6.9
181.08685	2.1
182.08134	2.5
186.09396	1.2
187.29131	1.4
193.04947	1.5
194.05865	1.4
195.06534	14.0
197.05847	1.6
199.09647	4.5
200.10629	1.5
213.05640	2.3
213.07571	6.8
219.14880	2.4
225.07539	8.4
236.10786	2.4
239.09088	1.6
245.12749	1.6
252.98004	2.1
263.65500	2.4
269.04291	1.4
269.10248	3.2
270.50952	1.3
287.05591	11.5
287.11243	29.0
288.20282	2.8
292.16693	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	287.0916
Annotation	Isogosferol
Peak:m/z	Relative Intensity
55.98071	0.2
57.07082	6.5
63.00072	0.3
70.79089	0.8
71.08624	0.4
72.08165	1.5
79.05489	0.4
81.07079	0.3
85.06555	2.4
86.56595	0.2
87.32556	0.2
90.09190	1.3
91.05489	4.9
98.97555	0.3
103.05468	1.2
107.70641	0.3
119.04968	2.2
131.04938	7.4
147.04424	17.0
150.43047	0.3
155.57135	0.2
159.03291	0.2
159.04431	6.9
166.22450	0.2
175.03914	3.8
177.06824	0.7
203.03410	100.0
204.03757	0.9
286.31015	5.0
287.05597	2.9
287.08655	0.4
287.20215	0.6
287.23486	0.4
287.31375	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	287.0915
Annotation	Heraclenin
Peak:m/z	Relative Intensity
55.05512	0.5
57.07080	1.7
57.26410	0.2
67.05505	0.6
69.07043	0.3
70.66564	0.4
70.66936	0.4
72.08165	0.8
79.05507	0.4
81.07078	0.9
83.08647	0.2
84.08147	0.4
91.05486	4.9
93.07056	0.5
95.04978	0.3
95.08623	0.5
98.98448	0.2
103.05470	2.3
104.04904	0.2
105.07070	0.7
107.08600	0.4
108.86211	0.2
119.04964	2.7
119.08584	0.5
121.10174	0.4
125.00028	0.2
131.04933	11.9
131.08536	0.4
133.10133	0.4
145.10114	0.5
147.04413	30.8
159.04422	9.6
159.11600	0.5
161.13226	0.2
171.11577	0.3
175.03918	3.4
177.06767	0.6
202.02631	0.7
203.03397	100.0
204.03729	0.9
213.16415	0.2
269.22565	0.3
287.05661	2.2
287.09125	28.9
287.19916	0.5
287.23660	0.8
288.09406	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.055
Annotation	Luteolin
Peak:m/z	Relative Intensity
55.01863	0.3
55.05511	0.6
56.96554	0.1
60.93980	0.1
65.03944	0.1
67.01868	1.7
67.05495	0.3
68.99796	1.6
69.03434	0.9
69.07055	0.3
70.06586	0.5
71.05006	0.1
72.08157	1.3
79.05494	0.8
81.03400	0.3
81.07049	0.6
83.04977	0.3
83.84850	0.1
83.87921	0.1
84.08146	0.4
85.02908	0.2
85.06542	0.2
86.09692	0.3
89.03905	1.0
91.05490	1.3
93.07047	0.6
94.04160	0.1
95.04962	0.6
95.08593	0.4
97.02891	0.2
101.06047	0.2
103.05453	0.7
105.07038	1.0
107.04955	0.9
107.08587	0.3
108.05639	0.1
109.02848	0.2
109.06505	0.7
109.10164	0.2
111.00804	0.4
111.04431	0.5
111.08054	0.2
113.05983	0.2
115.05469	0.3
117.03382	0.8
117.07021	0.3
118.06557	0.3
119.04927	0.3
119.08562	0.2
120.08086	0.2
121.02849	0.3
121.06514	1.7
121.10116	0.2
122.03649	0.2
123.04400	0.3
123.08071	0.2
124.05276	0.1
125.02372	0.1
125.05997	0.2
125.09637	1.9
127.03913	0.2
128.06175	0.2
129.01804	0.3
129.07008	0.3
129.10246	0.2
130.06528	0.1
131.04959	0.9
131.08575	0.1
133.06483	0.2
133.10175	0.2
134.03644	0.3
135.04416	4.8
135.05435	0.3
135.08057	1.6
137.02351	1.2
137.03336	0.2
137.05983	3.5
137.09619	0.1
139.05344	0.1
139.07533	0.3
141.07016	0.3
143.04955	0.2
143.08504	0.2
145.06496	0.4
145.10103	0.2
146.03642	0.1
146.05974	0.3
147.04424	0.8
147.11577	0.2
148.05238	0.2
149.05968	2.2
151.04001	0.1
151.07539	2.3
152.06203	1.7
153.01831	12.2
153.06976	0.2
155.04897	0.1
155.08435	0.1
156.09312	0.2
157.06506	0.4
157.10182	0.1
159.04451	0.2
159.07942	0.1
159.11653	0.1
160.05237	0.1
160.97513	0.1
161.02348	1.6
161.05989	0.4
162.06757	0.1
163.03888	0.3
163.07555	3.4
165.06989	1.3
165.09082	0.8
166.07774	1.2
167.08560	5.8
169.06482	0.5
171.02882	0.8
171.04320	0.2
172.05316	0.1
173.05949	0.2
173.09439	0.2
174.03149	0.1
174.06720	0.2
175.07597	0.2
176.06238	0.2
177.05576	0.2
177.06985	0.5
177.09071	0.3
179.03352	0.6
180.47803	0.1
181.06490	0.5
181.10193	0.4
183.08072	0.3
184.08861	0.6
185.05972	0.4
187.07506	0.2
189.05467	0.4
194.07304	0.8
195.08057	7.4
196.08830	0.5
197.05975	1.4
199.07457	0.1
199.11238	0.2
201.05429	0.1
202.02559	0.5
203.03415	0.9
203.06947	0.3
209.09639	0.8
211.07518	0.6
212.08299	1.6
213.05511	0.7
217.04985	0.7
219.06471	0.1
223.07561	2.7
224.08296	0.2
225.05492	0.3
227.10663	8.1
229.04860	0.2
231.06563	0.4
237.09190	0.3
239.07057	0.2
240.07634	0.5
241.04890	1.6
241.08705	0.2
241.10016	0.1
241.12190	0.3
243.11282	0.1
245.04422	0.4
251.16432	0.4
255.10178	6.3
256.10892	0.4
258.05252	0.2
259.06012	0.3
259.13263	0.2
263.05490	0.2
269.04395	0.9
269.08923	0.2
269.11945	0.5
269.17490	0.4
272.10333	0.2
287.05496	100.0
288.05853	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0552
Annotation	Luteolin
Peak:m/z	Relative Intensity
50.33016	0.2
53.03941	0.4
55.01871	0.4
55.05510	0.5
61.69642	0.1
62.43061	0.2
63.00039	0.2
65.03937	0.3
66.92741	0.2
67.01869	0.4
67.05500	0.6
68.99794	2.2
69.03419	0.5
69.07067	0.4
69.13065	1.8
71.05031	0.2
72.08167	1.1
79.05497	1.1
81.03420	0.5
81.07062	1.2
83.04958	0.4
84.08122	0.3
85.02890	0.2
86.09756	0.2
91.05481	0.6
93.07062	0.7
95.04974	0.5
95.08646	0.8
97.06563	0.3
103.05490	0.3
105.03382	0.8
105.07033	1.2
107.04952	1.5
107.08611	0.6
109.02865	0.8
109.06518	0.3
109.10177	0.7
111.00815	1.7
111.04431	0.4
114.38702	0.2
115.05470	0.4
117.07061	0.3
119.04948	0.4
119.08583	0.7
121.02876	6.2
121.03905	0.3
121.06524	0.6
121.10174	0.5
123.08074	0.2
123.11773	0.2
127.03937	0.4
129.06990	0.6
131.04910	0.4
131.08565	0.4
133.02858	0.7
133.10124	0.8
135.04417	0.7
135.08081	0.5
135.11668	0.2
136.07556	0.3
137.02376	2.2
137.05997	0.4
141.07011	0.5
143.04941	0.2
143.08565	0.2
145.06519	0.6
145.10138	0.6
147.04436	1.8
147.08052	0.2
147.11702	0.4
149.06004	0.3
149.09605	0.3
150.63387	0.2
151.07547	0.3
152.06262	0.3
153.01839	11.1
157.06526	1.2
157.10123	0.4
159.08167	0.2
159.11700	0.7
161.02338	0.2
161.06010	0.7
161.13297	0.3
163.03867	0.2
163.07542	0.5
164.07021	0.2
165.01845	3.1
165.06938	0.3
166.07751	0.2
167.08623	0.8
169.06509	0.4
171.03058	0.2
171.04405	0.9
171.11705	0.3
173.06061	0.2
173.13181	0.2
183.02907	1.2
185.05951	1.2
187.14839	0.3
189.05574	0.2
189.16328	0.3
195.08081	1.1
197.06010	0.5
201.16360	0.4
202.02557	0.4
203.03424	0.6
203.07037	0.3
212.08301	0.2
213.05467	3.0
217.04962	0.7
223.07550	0.4
227.10574	0.9
229.05026	0.4
229.19472	0.3
231.06544	1.2
241.04955	2.0
243.06694	0.3
255.10199	0.7
258.05206	2.2
259.06009	1.0
269.04379	0.4
269.22461	0.4
287.05521	100.0
287.23459	1.3
288.05780	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.2
55.01862	0.2
55.05486	0.1
65.03930	0.4
67.01852	0.4
67.05486	0.1
68.99789	2.0
69.03424	0.4
69.07053	0.1
69.29784	0.5
69.30209	0.4
71.01345	0.1
72.08147	0.2
75.32668	0.1
79.05499	0.6
81.03420	0.3
81.07062	0.2
84.08135	0.1
91.05483	0.2
93.07044	0.1
95.01340	0.1
95.04976	0.2
98.97578	0.1
103.05479	0.2
105.03394	0.9
105.06976	0.1
107.04962	1.2
108.02084	0.1
109.02892	0.8
111.00819	1.4
111.04415	0.4
115.05475	0.2
117.07024	0.1
119.04975	0.3
119.08577	0.1
121.02869	7.1
121.03909	0.3
121.06470	0.2
123.04510	0.1
127.03887	0.2
129.06964	0.3
131.04929	0.2
133.02867	1.1
135.04434	0.5
137.01373	0.2
137.02348	2.3
137.03380	0.1
141.07002	0.2
145.06502	0.4
147.04408	1.5
153.01834	10.3
157.06491	1.4
161.02251	0.2
161.06003	0.4
164.07083	0.1
164.58800	0.1
165.01846	3.9
169.06456	0.1
170.07210	0.1
171.02989	0.2
171.04366	0.8
175.03870	0.2
175.07463	0.2
177.19754	0.1
183.02928	1.4
183.04391	0.2
185.05983	1.2
186.10162	0.1
189.05554	0.2
195.08072	0.2
197.05960	0.3
199.03876	0.2
201.05397	0.1
203.03415	0.2
203.07053	0.3
212.04646	0.2
213.05472	3.2
216.04150	0.1
217.04991	0.2
229.04881	0.5
230.05624	0.1
231.06517	1.3
241.04927	1.7
243.06534	0.2
245.04593	0.1
255.10391	0.1
258.05240	2.3
259.06000	1.0
269.04416	0.4
269.07162	0.1
287.05499	100.0
288.05872	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.2
55.01868	0.2
64.22768	0.1
65.03939	0.4
67.01858	0.5
68.45150	0.1
68.99441	0.2
68.99789	2.3
69.03422	0.2
69.82769	0.4
71.01345	0.2
79.05494	0.7
81.03411	0.4
85.02895	0.1
91.05482	0.3
93.07027	0.1
95.04966	0.2
97.02869	0.2
103.05459	0.4
105.03404	1.0
105.07107	0.1
107.04955	1.2
109.02888	0.9
111.00061	0.1
111.00802	1.7
111.04425	0.3
115.05435	0.2
117.07011	0.2
119.04927	0.1
121.02873	7.4
121.03916	0.4
122.06027	0.1
127.03960	0.1
128.06210	0.3
129.06979	0.4
131.04865	0.1
133.02866	0.9
135.04425	0.5
135.08060	0.1
136.07571	1.6
137.02345	2.6
137.05988	0.1
139.05475	0.1
141.07008	0.3
143.04938	0.2
145.06479	0.5
147.04416	1.3
149.05925	0.1
151.03996	0.1
153.01831	11.9
154.02135	0.1
157.06505	1.3
161.02277	0.1
161.05969	0.5
163.03877	0.1
163.33426	0.1
164.07048	1.1
165.01845	3.8
167.08521	0.1
169.06502	0.3
171.04387	0.8
175.03859	0.1
175.07603	0.1
181.01357	0.1
183.02914	1.6
183.04491	0.1
184.05139	0.1
185.05991	1.3
189.05434	0.3
194.02026	0.1
195.08084	0.2
197.05989	0.4
199.03865	0.2
201.05472	0.2
203.03400	0.2
203.07056	0.4
212.04541	0.1
213.05476	3.4
214.06023	0.1
216.04160	0.2
217.04956	0.1
227.10522	0.2
229.04880	0.5
231.06516	1.5
241.04927	1.6
243.06590	0.3
245.04286	0.2
255.10333	0.2
258.05243	2.2
259.06003	0.9
263.05716	0.1
269.04468	0.4
287.05496	100.0
288.05826	1.5
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	Fisetin
Peak:m/z	Relative Intensity
53.03941	0.2
53.47326	0.1
64.41778	0.1
64.78129	0.1
65.03947	0.3
67.01859	0.3
68.99448	0.2
68.99791	2.5
69.03391	0.2
69.70565	0.1
69.95858	0.7
74.93890	0.2
79.05490	0.6
81.03400	0.3
83.01327	0.1
91.05457	0.2
93.39313	0.1
93.79956	0.1
95.04991	0.3
97.02905	0.2
98.20908	0.2
103.05457	0.4
105.03394	1.0
107.04951	1.1
109.02876	0.9
111.00802	1.7
111.04414	0.3
115.05472	0.3
117.06908	0.1
119.04938	0.1
121.02871	6.9
121.03905	0.4
127.03870	0.3
128.06186	0.2
129.07010	0.5
132.08888	0.1
133.02855	1.1
135.04401	0.4
136.07608	0.2
137.02342	2.3
141.06993	0.3
145.06523	0.6
147.04404	1.6
153.01831	11.7
157.06508	1.5
161.05989	0.5
164.07143	0.2
165.01837	4.0
171.04411	0.8
180.77364	0.1
183.02890	1.7
184.05269	0.2
185.05956	1.1
189.05560	0.3
194.86838	0.1
195.09322	0.1
197.05949	0.2
201.05397	0.2
203.03464	0.2
212.09531	0.6
213.05446	3.4
213.10251	0.2
216.04143	0.2
225.10225	0.1
226.11086	0.2
229.04941	0.5
231.06517	1.1
241.04951	1.8
241.13338	0.2
258.05234	2.5
259.06012	0.9
269.04526	0.4
269.12897	1.2
287.05496	100.0
288.05838	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.9
55.01871	2.1
55.05514	15.4
56.64022	0.7
57.03442	22.4
57.93572	0.8
59.05001	1.2
65.03936	1.8
67.05508	33.8
69.03432	0.9
69.07069	16.7
71.04985	7.9
78.30402	0.7
78.74880	0.7
79.05498	17.7
81.07059	100.0
83.04987	8.2
83.08625	10.7
85.02922	0.8
85.06542	6.6
91.05483	26.0
93.07049	13.2
93.86156	0.6
95.04984	2.8
95.08610	19.8
97.06541	8.3
98.97612	2.1
99.08099	4.3
101.06028	1.7
105.07036	37.9
107.08601	12.5
109.06525	4.8
109.10184	1.1
111.08068	1.0
113.06028	1.8
117.07034	1.4
119.08590	26.8
121.10150	21.4
121.11041	1.0
123.08098	5.1
123.11709	31.9
127.07556	3.7
129.07024	2.3
131.08580	1.7
133.10126	3.2
137.09651	1.3
137.13271	2.1
141.09108	1.0
145.10159	1.1
147.11694	73.8
149.09660	1.3
157.10153	3.5
165.12759	37.6
175.11194	3.4
183.12390	0.6
183.13771	4.3
191.43739	0.7
193.06503	0.8
193.12317	3.3
225.09000	0.8
229.14359	6.7
233.98215	1.4
243.11299	2.4
253.08614	1.7
267.15897	4.1
285.07950	1.4
285.11929	2.0
285.16974	43.0
285.22150	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31049	0.7
53.03951	2.2
55.01873	1.2
55.05515	14.2
57.03438	21.3
57.07092	1.0
65.03938	1.1
67.05508	31.6
69.03419	1.2
69.07072	18.8
69.35068	5.3
71.04994	4.5
73.06554	1.6
78.51423	0.7
79.05496	20.6
81.07059	100.0
83.04983	7.0
83.08619	8.4
85.06552	6.7
85.09366	0.7
91.05486	26.8
93.07052	11.1
95.04970	3.2
95.08608	20.8
97.06538	7.3
97.10159	0.8
99.04461	0.8
99.08105	5.6
101.06007	1.5
105.07037	34.7
107.08600	13.9
109.06506	5.2
109.10157	3.2
113.06036	1.9
117.07057	1.1
119.08588	28.4
121.10153	19.0
123.08051	3.7
123.11715	28.5
125.09647	1.2
127.07548	3.4
129.07025	3.3
131.08539	1.9
133.10156	3.1
137.09550	1.2
137.13264	3.1
141.09161	1.3
142.07811	1.0
145.10141	2.1
147.11693	75.5
149.09587	1.0
157.10138	4.2
159.11653	1.3
161.05875	0.9
161.13216	1.0
165.12762	32.0
175.11139	3.5
183.11777	0.8
183.13823	4.3
183.15173	0.7
193.06549	0.7
193.12294	3.1
199.14885	0.9
201.16429	0.9
210.06590	0.8
211.13260	1.0
229.14374	5.2
238.49846	0.9
242.05739	0.9
253.08618	1.9
257.04559	1.0
267.15930	4.3
267.21136	0.9
275.46719	0.7
285.07840	1.3
285.12088	1.6
285.16971	37.8
285.21759	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.0
55.01883	1.5
55.05512	17.0
57.03442	20.8
57.07077	1.3
59.05000	0.7
65.03932	1.2
67.05506	31.9
69.03440	1.4
69.07070	17.6
70.06564	0.9
70.15408	1.3
70.15780	2.3
71.04993	5.2
79.05496	18.9
81.03424	1.3
81.07060	100.0
83.04984	8.7
83.08626	9.4
85.01985	0.7
85.02888	0.7
85.06554	6.1
91.05485	26.2
93.07050	13.1
95.04984	3.7
95.08610	23.0
97.06541	7.8
97.10169	1.2
99.08108	4.6
101.06020	1.7
105.04486	0.8
105.07036	38.2
107.05003	0.8
107.08602	14.9
109.06513	5.7
109.10142	1.9
111.08089	1.9
113.06004	1.4
119.08586	28.9
119.68138	0.7
121.10155	21.5
121.11044	1.2
123.08080	5.0
123.11705	28.3
123.36038	0.8
127.07590	4.3
129.07051	1.5
131.08577	2.8
133.10150	5.1
137.09624	1.0
137.13264	2.9
141.09091	1.7
142.07805	1.0
143.08562	1.2
145.10146	2.3
147.11697	73.4
149.09631	1.3
157.10162	4.3
159.11682	1.1
165.06935	1.4
165.12767	36.8
168.59586	0.7
175.11195	6.7
183.13828	3.5
187.14728	0.8
193.06458	0.9
193.12285	3.2
199.14883	1.5
211.07602	1.0
211.14851	1.0
221.05870	1.2
225.09332	0.9
229.14355	5.2
253.08598	2.2
267.15915	2.9
267.21152	1.4
285.08026	3.7
285.11502	2.5
285.16986	40.2
285.22174	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.5
55.01865	2.3
55.05274	1.1
55.05515	15.9
57.03440	20.0
57.07076	0.9
65.03938	1.4
67.05508	31.4
69.07069	18.3
69.42508	1.5
69.42920	4.9
71.04993	6.2
73.06547	1.4
79.05495	19.5
81.07059	100.0
82.07362	1.0
83.04981	7.2
83.08621	11.5
85.06549	7.1
87.04449	1.1
89.14259	0.7
91.04905	1.6
91.05481	28.1
93.07043	13.4
95.04952	4.2
95.08612	22.6
95.09074	0.5
97.06528	7.8
97.10150	1.2
98.20705	1.3
99.08095	4.8
101.06033	1.1
105.07035	38.0
107.04943	1.0
107.08592	13.6
109.06532	7.0
109.10136	3.7
111.08103	1.9
113.05997	1.6
115.05481	1.6
116.32714	0.8
117.06964	1.6
119.08589	30.8
121.09250	0.9
121.10143	19.5
123.08089	4.9
123.11716	28.2
127.07564	2.2
129.06996	2.6
131.08591	2.7
133.06429	0.8
133.10139	4.4
135.11691	1.4
137.09625	1.3
137.13272	2.3
141.07025	1.0
141.09135	0.9
143.08559	1.5
145.10109	4.3
147.11694	72.7
149.09628	1.5
149.56876	0.7
155.08572	1.1
157.10143	5.9
159.11697	2.9
161.06015	0.8
161.13243	1.5
163.03894	0.8
165.07030	1.1
165.12761	34.8
167.03429	3.3
169.10138	1.6
171.11684	1.6
173.13287	1.6
175.11139	4.1
175.14687	1.0
178.94135	0.8
183.08101	0.8
183.11661	0.8
183.13821	3.2
185.13268	1.1
186.06783	0.8
187.14853	1.6
193.12297	2.7
197.13258	0.8
199.14923	1.1
210.06831	0.9
211.07487	0.7
211.14851	1.1
214.06317	0.8
225.09134	1.8
225.16344	1.3
227.17998	2.0
229.08588	3.1
229.14249	4.3
242.05779	2.5
253.08562	2.9
257.08109	2.0
267.06647	1.0
267.15872	3.1
267.21155	3.5
281.03882	0.7
285.04666	0.8
285.07599	35.8
285.11292	2.4
285.16983	37.7
285.21890	10.6
293.11539	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.01863	3.0
55.05260	1.4
55.05514	14.1
57.03442	23.0
57.07077	1.9
63.00042	2.1
65.03939	2.4
67.05508	30.3
69.01227	0.9
69.07072	17.6
70.15331	2.1
70.15724	2.2
71.04986	6.1
79.05075	1.3
79.05495	17.0
81.03411	1.5
81.07061	100.0
83.04992	7.6
83.08619	11.0
85.06541	5.7
91.05483	26.2
93.07050	12.8
95.04943	3.0
95.08616	21.8
97.06543	6.6
97.10201	1.3
98.20811	1.2
98.98492	1.6
99.08074	3.9
101.06013	1.6
105.07040	42.2
107.08602	11.3
109.06506	5.4
109.10194	2.9
111.43297	0.9
113.06007	2.1
119.08585	29.3
121.10152	21.0
123.08070	4.6
123.11721	26.6
127.07547	3.2
129.07014	2.0
131.08517	1.4
133.10117	3.3
137.09605	1.6
137.13284	2.7
141.09103	1.5
145.10089	1.4
147.11699	81.1
157.10114	3.0
160.97650	1.0
165.12767	37.1
175.11177	2.9
183.13792	4.6
193.12271	2.4
229.14397	5.6
253.08577	2.3
267.16019	4.0
285.07635	7.2
285.16974	38.4
285.21954	2.1
285.29517	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.8
55.05518	15.9
57.03441	19.9
57.07088	2.4
63.00023	1.5
67.05186	2.0
67.05511	28.4
69.07064	17.6
70.08653	7.4
71.04993	4.8
79.05498	18.4
81.07060	100.0
83.04987	8.6
83.08614	7.3
85.06541	5.9
91.05484	22.9
93.07048	12.1
94.16013	1.7
95.04944	2.2
95.08600	17.0
97.06519	7.1
97.10165	1.9
99.08079	2.8
102.72333	1.5
105.07040	33.3
107.08603	12.5
109.06538	4.0
109.10165	3.0
113.06023	1.5
119.08589	25.7
121.10157	17.3
123.08082	3.4
123.10838	2.8
123.11703	28.9
127.07481	2.3
129.06973	2.0
131.18828	1.4
133.10114	4.2
137.13289	2.7
145.10069	1.7
147.11688	58.2
165.12755	27.3
174.44492	1.7
175.11153	2.5
183.13744	1.6
229.14378	2.9
267.15869	2.1
285.16901	31.6
285.26306	1.5
285.29803	6.9
285.33301	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.0
55.01868	1.2
55.05511	13.0
57.03442	19.1
57.07084	2.6
59.96484	1.2
67.05510	33.1
69.03399	1.1
69.06744	1.3
69.07078	20.8
71.04173	2.6
71.05009	7.6
71.08633	1.7
73.86546	1.0
75.09782	1.0
79.05492	14.5
80.88393	1.1
81.03416	1.4
81.07061	100.0
83.04994	6.6
83.08624	11.1
85.06540	6.3
91.05489	26.5
93.07053	12.0
95.04971	3.3
95.08607	19.2
97.06512	7.8
99.08072	5.1
101.06036	1.9
105.07040	39.8
107.08611	12.0
109.06512	6.5
109.10151	2.2
113.05965	1.9
119.08584	31.6
121.06523	1.5
121.10149	22.0
122.06911	1.5
123.08056	4.5
123.10841	2.4
123.11708	31.4
127.07548	3.4
129.06972	2.2
131.08548	3.2
133.10135	3.0
137.13237	2.7
141.09085	2.0
145.10143	1.9
147.11694	68.3
150.69513	1.2
157.10146	2.7
159.07979	1.6
165.11417	2.6
165.12770	40.6
175.11182	2.4
183.13805	2.9
193.12242	3.5
229.14377	4.4
267.15952	3.6
285.07492	1.6
285.16953	41.7
285.22086	3.0
285.26401	1.2
285.29700	8.5
291.79199	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54803	0.7
55.01891	0.9
55.05513	15.5
57.03445	20.9
57.07075	1.5
65.03947	1.1
66.25213	0.8
66.93164	0.7
67.05511	34.4
69.03432	1.0
69.07076	21.2
71.04995	6.0
79.05499	21.0
81.07065	100.0
83.04993	7.5
83.08622	11.2
85.06552	6.3
87.25776	0.8
91.05492	28.6
93.07053	11.6
95.04985	2.1
95.08614	20.3
96.08967	0.9
97.06539	8.1
97.10167	0.9
99.04505	0.9
99.08088	4.2
101.06052	1.8
105.07039	38.3
107.08611	11.5
109.06532	5.4
109.10177	1.8
111.08103	1.1
113.05993	0.9
117.06977	1.2
119.08596	31.6
121.10152	21.7
123.08080	4.6
123.11717	30.7
127.07551	4.2
129.06998	2.7
131.08595	1.6
133.10139	2.7
137.13263	2.4
141.09108	1.2
145.10143	1.6
147.11700	72.3
149.09628	0.8
157.10115	3.3
165.12770	36.8
175.11215	3.3
183.13747	4.2
193.12300	2.2
201.91057	0.8
213.09309	0.7
229.14313	5.5
229.16202	1.0
267.15829	3.6
285.16943	41.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.6
55.01869	2.5
55.05314	1.2
55.05519	14.6
57.03446	20.2
57.07080	1.6
58.23970	1.2
65.03946	1.6
67.05513	31.0
67.05878	1.6
69.07077	17.0
71.04991	5.6
79.05492	21.5
81.07063	100.0
83.05000	6.9
83.08620	9.7
85.06541	4.7
91.05491	25.0
93.07054	12.0
95.04949	3.5
95.08609	19.5
97.06544	6.1
99.08097	2.8
105.07038	34.7
107.08592	13.9
109.06521	4.5
109.10167	2.2
113.06018	1.8
119.08591	25.6
121.10163	19.1
123.08074	3.6
123.11705	28.5
127.07546	3.9
129.07002	2.0
131.08575	1.4
137.13281	3.0
141.09097	1.8
145.10245	1.4
147.11700	75.5
152.88005	1.2
157.10159	3.7
165.12767	41.7
175.11224	3.0
183.13751	5.9
187.36406	1.3
193.12265	2.2
229.14290	6.1
267.15887	4.6
285.16943	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	285.1695
Annotation	Dihydroartemisinin
Peak:m/z	Relative Intensity
51.15058	1.5
55.01871	2.3
55.05515	13.6
57.03201	1.5
57.03437	20.8
66.92484	1.5
67.05508	30.7
69.07076	15.4
69.79756	6.7
71.04991	5.1
79.05493	16.8
81.07056	100.0
83.05002	7.2
83.08624	8.5
85.06554	6.7
91.05492	23.1
93.07044	12.6
95.04957	2.9
95.08604	17.0
95.50311	1.3
97.06542	7.2
98.20795	1.3
99.08077	5.8
101.06010	2.6
105.07030	31.8
107.08605	9.3
109.06512	5.3
119.08576	30.3
121.09460	1.5
121.10152	16.2
123.08054	5.6
123.11712	30.8
127.07539	3.2
129.07019	2.4
133.10098	1.6
137.13226	2.8
147.11688	70.3
148.11977	1.6
157.10069	3.5
161.34459	1.4
165.12756	35.2
165.14143	1.8
175.11163	3.7
183.13831	4.1
186.23444	1.4
193.12265	1.8
219.96603	1.3
229.14261	3.9
267.15808	3.8
285.16956	43.5
304.02130	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59196	0.8
53.03937	1.5
55.01868	1.2
55.05273	1.0
55.05514	15.9
57.03441	20.5
57.07067	1.3
64.08122	0.9
65.03935	2.2
66.66103	0.8
67.05505	33.0
69.03425	1.5
69.06738	1.3
69.07073	17.9
70.74240	2.1
71.05004	6.8
73.06590	0.9
79.05497	19.6
81.07059	100.0
82.07349	0.9
83.04986	5.3
83.08621	8.5
85.06104	0.8
85.06544	6.5
91.05487	25.1
93.07054	11.9
95.04962	3.0
95.08609	19.6
97.06545	6.8
99.08112	4.7
99.23030	0.8
101.06024	1.7
105.07037	36.2
107.08596	13.8
109.06541	5.6
109.10156	2.3
111.08104	1.8
113.06013	2.5
119.08585	29.8
121.09476	0.5
121.10138	20.7
123.08056	3.7
123.11714	27.8
127.07561	3.0
129.07060	2.1
131.08540	1.0
133.10161	2.3
137.09651	1.0
137.13264	1.8
139.26131	0.8
141.09068	1.2
142.07858	0.8
147.11694	74.2
149.09605	0.8
157.10152	3.2
165.12756	36.5
171.01315	1.6
175.11160	3.4
183.13821	3.6
193.12279	2.3
229.14349	5.0
267.16016	4.7
285.16965	38.3
286.17264	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1121
Annotation	Swietenocoumarin B
Peak:m/z	Relative Intensity
68.93178	0.3
69.07084	0.4
70.64776	0.3
70.80145	0.6
72.11980	0.3
75.20521	0.3
91.05487	0.9
102.04682	0.4
115.05437	2.7
117.07032	1.1
124.97494	0.3
128.06210	1.8
129.07016	1.2
131.04897	0.3
131.08582	0.6
141.07024	1.2
143.04936	0.6
144.05705	0.8
145.06485	1.4
155.04974	0.6
156.05763	0.4
157.06499	3.6
158.03615	0.9
159.04471	0.6
159.08087	1.2
169.06496	1.4
171.04449	1.2
172.05193	2.2
173.05968	0.8
183.04430	0.4
184.05251	1.4
186.03122	21.4
187.07605	1.6
199.03923	1.4
199.07538	0.8
200.04712	5.3
201.05476	28.2
202.02678	1.5
202.05748	0.4
214.02647	0.5
215.07040	3.1
217.04947	2.9
227.07060	0.5
228.04173	12.9
229.04964	100.0
230.05345	1.3
243.06531	55.2
244.06943	0.8
246.83879	0.4
255.06522	0.4
285.11194	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0759
Annotation	GENISTEIN, 8-METHYL
Peak:m/z	Relative Intensity
52.72627	0.2
53.03942	0.2
55.01890	0.3
55.05506	0.7
57.03427	0.2
59.47290	0.2
65.03939	0.5
67.01858	0.4
67.05496	0.7
68.79429	0.2
68.99799	0.2
69.07052	0.3
69.45302	1.1
71.05007	0.2
79.05495	0.7
81.03424	0.4
81.07053	1.5
83.04968	0.2
85.06503	0.2
89.03915	0.4
91.05484	4.4
93.07065	0.9
95.04972	0.4
95.08622	1.1
97.06548	0.2
98.21485	0.4
100.11227	0.2
102.04767	0.2
103.05471	0.3
105.03429	0.2
105.07033	1.3
107.04950	0.6
107.08573	0.7
109.06514	0.4
109.10167	0.6
111.04443	0.5
115.05442	0.3
119.04925	1.4
119.08591	0.9
121.02885	0.3
121.10134	0.6
121.85080	0.2
123.04424	0.7
123.11655	0.3
125.02338	0.3
129.06972	0.2
131.04947	0.4
131.08585	0.5
133.10100	0.6
135.04420	0.8
135.11681	0.4
137.02333	0.3
137.09685	0.2
141.07018	1.1
142.07764	0.2
143.08577	0.5
143.38588	0.2
145.02838	2.3
145.10101	0.5
147.11682	1.0
151.11169	0.2
152.06343	0.2
153.06976	0.3
155.08598	0.3
157.10124	0.7
158.07306	0.5
159.04424	1.4
159.08113	0.2
159.11665	0.6
161.06003	0.6
161.13222	0.2
163.03909	3.0
164.04625	0.3
165.06998	0.4
165.12791	0.2
167.03410	9.3
168.05725	1.1
169.02766	0.2
169.06499	1.4
169.10114	0.2
170.07190	0.4
171.11630	0.3
173.05855	0.2
173.09628	0.2
173.13329	0.3
177.05374	0.2
179.03407	0.7
182.07309	0.2
183.08118	0.9
183.11710	0.2
185.06029	0.2
186.06723	0.9
187.14894	0.2
193.06470	0.5
196.05228	0.8
197.06003	0.9
197.13264	0.2
198.06886	0.4
199.14830	0.4
201.09138	0.8
201.16489	0.2
210.06766	0.5
211.07556	1.3
211.14867	0.3
213.05408	0.3
214.06265	2.5
214.08185	0.3
221.05984	0.4
224.04692	1.8
225.05421	0.6
225.09167	0.7
227.18016	0.3
229.08626	8.7
238.06047	0.2
239.07063	0.6
241.04849	0.9
242.05754	7.6
243.06415	0.2
252.04153	0.5
253.08621	1.1
257.08124	4.4
257.22516	0.2
267.06570	1.6
267.21063	0.5
270.05197	1.5
285.07581	100.0
285.21881	1.8
286.07947	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41118	0.5
53.03941	1.4
55.05515	18.4
57.98169	0.5
66.96794	0.4
69.64123	2.0
69.64529	0.7
70.29388	0.4
83.04984	100.0
84.05341	0.7
91.05486	2.4
98.20793	0.9
103.05490	1.1
119.04924	0.8
131.04930	4.8
147.04417	14.4
159.04431	4.8
175.03937	1.4
203.03404	87.7
204.03745	0.7
223.45988	0.5
230.12360	0.4
249.41362	0.5
285.22552	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0759
Annotation	GENISTEIN, 8-METHYL
Peak:m/z	Relative Intensity
51.56253	0.2
58.31215	0.2
65.03927	0.3
67.01854	0.2
68.99787	0.2
69.67155	0.9
81.03411	0.4
81.07049	0.2
89.03913	0.3
91.05486	3.0
95.04939	0.4
98.21502	0.3
98.97562	0.2
100.38843	0.2
105.03352	0.3
107.04946	0.8
111.04443	0.3
119.04951	1.3
121.02789	0.3
123.04417	0.7
124.01556	0.4
131.04929	0.4
133.02769	0.2
135.04407	0.8
137.02303	0.2
141.07039	0.9
143.08641	0.2
144.68352	0.2
145.02850	2.3
145.03912	0.3
151.03929	0.3
153.07008	0.4
158.07288	0.4
159.04430	1.4
160.97624	0.2
163.03918	3.2
164.04749	0.3
167.03415	8.8
168.05705	0.7
169.06500	1.4
170.07242	0.3
179.03377	0.7
183.08093	0.9
186.06741	1.1
187.03978	0.4
196.05232	0.6
197.06033	1.2
198.06805	0.5
201.09035	0.9
211.07509	1.6
213.05499	0.4
214.06239	1.7
224.04668	1.6
225.05507	0.6
227.07074	0.2
229.08607	8.7
239.07242	0.3
240.07951	0.2
241.04909	0.6
241.08711	0.2
242.05740	7.7
243.06328	0.2
252.04211	0.7
256.07523	0.2
257.08093	3.8
267.06485	1.5
270.05237	1.3
285.07578	100.0
286.07947	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.113
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79456	1.0
53.03938	3.4
54.03469	1.1
55.01872	2.8
55.05497	2.0
56.05033	4.0
56.96559	3.4
57.03428	2.8
59.05008	1.3
61.01153	1.3
61.02918	3.4
65.03964	1.5
67.05511	14.4
67.95745	1.0
69.03434	8.6
69.07059	2.8
70.06596	18.4
71.48360	2.0
72.08178	5.8
73.02918	3.3
79.05492	4.4
81.03422	10.7
81.07057	3.4
82.02949	1.2
83.04968	1.5
84.04478	2.7
84.08157	7.7
84.96017	1.1
85.02908	6.4
86.09704	9.3
88.03994	6.0
91.05478	2.5
93.05776	1.1
93.07030	2.0
94.06562	2.5
95.04973	9.2
95.08588	1.5
96.04488	2.4
97.02898	19.8
98.97598	6.6
99.04469	1.5
103.03942	5.9
103.05407	1.0
105.01892	1.1
105.07038	2.8
107.07339	2.3
108.08130	9.4
109.02882	7.8
110.06039	3.0
110.07169	6.5
110.97540	2.4
112.07615	2.3
114.09135	1.2
115.05434	2.3
116.01743	1.1
116.98648	2.4
117.05492	3.7
120.08111	3.1
121.02828	1.2
122.02341	0.9
122.03205	1.1
122.06020	5.1
122.09679	4.1
126.05471	1.1
127.03905	6.2
131.04930	2.8
134.09637	1.1
136.07594	4.0
140.07076	14.1
143.04996	1.9
143.11833	2.0
148.07584	1.2
150.09143	20.8
152.07085	20.1
158.99660	2.1
161.05992	1.3
164.07077	2.7
166.06110	1.1
166.08632	2.0
168.06570	1.4
177.00726	1.1
178.08641	57.6
182.03487	2.0
182.08151	4.0
187.03847	6.1
191.03925	2.5
192.10188	2.8
194.08130	1.7
202.08740	1.6
206.08139	100.0
218.08128	29.1
219.01779	1.3
220.09639	2.7
236.09244	3.0
237.02814	2.5
238.08682	1.0
248.09151	8.8
251.15015	2.7
262.06021	1.5
266.10278	1.6
275.05151	1.2
279.03860	2.1
284.05795	5.8
284.11389	2.1
284.29446	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	284.0993
Annotation	Guanosine
Peak:m/z	Relative Intensity
52.37122	0.2
55.01848	0.5
56.55263	0.3
56.96554	0.8
57.03435	0.5
69.83379	0.6
69.83774	0.7
70.06588	1.2
73.02908	0.3
82.04076	0.3
84.08118	0.4
84.88169	0.3
85.02889	0.6
98.21494	0.5
98.97588	2.5
101.00879	1.2
110.01405	0.6
110.03539	2.8
110.07169	1.0
113.00858	0.3
116.98657	1.1
119.01893	1.3
122.01399	0.7
128.04555	0.6
131.01921	1.1
134.99684	0.3
135.03026	8.3
136.06152	0.3
137.01979	0.4
141.10295	0.3
143.01901	0.8
143.51907	0.3
152.05685	100.0
153.04095	4.7
153.05991	0.5
158.99892	0.7
161.03009	0.3
173.03001	0.8
177.00896	0.8
183.05185	0.3
201.00897	0.5
203.04111	0.3
208.18600	0.3
210.03102	0.3
219.01973	1.9
225.01001	0.3
243.01907	1.5
261.00174	0.7
261.03024	10.1
262.03339	0.6
279.00702	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04634	0.9
51.82353	1.0
53.03953	2.9
55.01880	4.5
55.05518	12.3
57.03443	12.2
57.07077	2.3
65.03959	1.5
66.32263	0.8
67.05514	17.8
69.03445	1.3
69.07069	8.0
71.04996	3.1
71.49287	1.4
73.02935	1.3
79.05502	30.9
81.03424	2.9
81.07065	24.0
83.04965	4.5
83.08630	8.4
85.06541	1.3
85.10246	0.9
89.05555	0.9
89.06023	5.5
91.05485	10.2
93.07051	44.2
93.07642	2.3
95.04972	7.0
95.08613	40.1
97.02908	4.6
97.05959	1.0
97.06483	4.5
97.10236	1.0
99.04459	5.8
105.04527	1.3
105.07029	9.5
107.04962	10.7
107.08608	30.3
109.06517	2.1
109.10176	3.9
111.04456	2.0
111.08065	1.5
113.06102	1.3
117.07040	11.9
119.08595	12.4
121.06499	7.2
121.10155	15.0
125.06009	2.5
129.07065	1.2
130.07793	1.9
131.08504	2.0
133.08626	1.5
133.10150	3.0
135.08064	2.7
135.11702	49.1
139.07570	2.2
139.11223	1.1
143.08569	2.8
145.10138	30.8
147.11646	1.4
155.08566	2.4
157.10176	1.4
163.11195	66.8
171.89871	1.1
173.09601	1.5
181.12236	15.7
195.12065	1.1
209.11765	2.0
227.12799	100.0
228.13025	1.5
265.19449	1.3
283.15311	19.7
283.20203	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59653	1.3
53.03950	2.9
55.01873	4.0
55.05516	13.4
57.03447	12.5
57.07097	2.8
60.41899	1.2
67.05509	25.1
69.03429	3.6
69.07059	9.9
71.04983	2.5
71.08630	2.1
73.02904	1.7
73.41775	1.3
74.05113	1.2
79.05497	30.0
81.03419	4.2
81.07060	23.9
83.04991	5.8
83.08623	9.7
85.10192	2.0
89.06038	12.0
91.05490	10.5
93.07047	41.7
95.04973	6.5
95.08617	42.4
97.02877	4.6
97.06538	5.6
97.10195	1.6
99.04438	3.5
103.05453	2.0
105.07027	11.1
107.04944	13.3
107.08604	30.3
109.06503	1.5
109.10179	3.8
111.04444	6.1
111.08133	2.0
114.96061	1.5
117.07038	11.7
119.08586	11.1
121.06525	6.5
121.10149	15.8
125.05987	2.7
130.07779	1.9
131.08582	2.5
133.08607	4.3
133.10155	4.6
135.08093	2.5
135.11696	52.2
145.10124	32.3
147.11609	2.3
153.12766	2.4
155.08583	2.4
163.11183	69.0
171.11627	1.7
172.38713	1.3
173.09651	3.4
181.12239	16.3
183.11823	1.5
191.10780	2.9
209.11714	2.8
227.12791	100.0
255.16005	4.6
283.15344	24.4
283.24127	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	283.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27864	1.0
53.03929	2.4
55.01882	5.1
55.05517	6.0
57.03443	12.1
65.03942	1.0
67.05509	10.4
69.03447	4.9
69.07055	2.8
70.63986	2.0
70.64353	1.5
71.05003	8.6
76.34933	0.9
79.05494	21.8
81.07061	10.5
83.04989	3.6
85.06543	2.3
91.05487	15.4
93.07049	84.0
95.04979	4.4
95.08621	3.3
97.06534	6.2
99.04463	28.0
101.06017	2.9
103.05439	1.4
105.07038	48.7
107.04950	2.0
107.08601	64.1
109.06551	4.1
111.08103	2.0
115.05429	1.3
117.07001	6.3
117.39308	1.0
119.08593	23.8
121.06517	30.0
121.10152	61.8
122.10368	1.0
123.08076	1.2
129.07016	1.1
130.07773	2.4
131.07013	2.5
131.08611	4.4
133.10133	1.9
135.07018	1.5
135.08058	31.6
135.11684	14.1
137.55069	1.1
139.07553	1.7
139.11211	1.3
141.24890	1.1
143.07051	2.4
143.08614	1.1
143.98624	1.0
145.10132	46.0
147.08214	1.1
147.11694	6.1
149.05984	1.4
149.09622	11.6
153.09129	1.7
163.11191	100.0
173.09590	7.3
181.12242	16.7
191.10683	71.1
209.11743	11.9
227.12881	5.9
265.14374	6.7
268.07169	1.1
283.06052	3.3
283.09961	1.5
283.15411	31.0
283.20206	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0602
Annotation	Pseudobaptigenin
Peak:m/z	Relative Intensity
53.03945	0.2
55.01631	0.2
55.01874	2.2
65.03934	0.4
67.01859	0.2
68.99787	1.4
69.03423	0.4
69.80584	0.4
69.80976	0.2
75.07944	0.1
79.01884	0.6
81.03421	0.7
91.05505	1.0
95.08639	0.2
95.31746	0.1
97.02892	0.4
99.00812	0.4
105.03430	0.2
105.07024	0.2
107.04939	0.4
109.02861	0.3
119.04960	1.9
121.02882	6.9
123.00802	2.2
126.08447	0.1
128.06204	0.2
129.06970	0.2
131.04941	0.3
133.02855	0.2
136.79282	0.1
137.02351	3.9
141.01823	4.0
143.08589	0.1
144.77409	0.1
145.06480	0.5
149.02333	0.2
152.06239	0.3
153.05838	0.2
153.06955	0.8
155.03308	0.1
155.06090	0.2
157.02202	0.1
157.06458	0.2
165.01849	14.4
169.06454	0.1
171.08083	0.7
173.06004	0.3
181.06505	1.2
182.07343	0.2
183.02905	3.7
183.04524	0.2
184.05203	0.2
185.06102	0.1
197.06099	0.1
199.07579	0.4
201.05457	0.2
209.05978	0.5
227.06976	0.7
229.05014	0.7
237.05518	0.3
255.06555	2.5
265.04974	0.6
283.06030	100.0
284.06381	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1861
Annotation	(+)-Sophoranol N-oxide
Peak:m/z	Relative Intensity
50.24822	0.5
55.01876	7.3
55.05509	0.8
58.06604	3.5
67.05503	1.0
70.17006	0.5
70.72029	1.1
70.72375	0.9
72.04522	1.2
72.08158	39.8
84.04498	2.3
84.08162	1.3
95.04976	0.7
100.11262	88.3
114.09202	3.7
117.13090	1.0
117.13898	14.9
123.04435	66.3
126.09151	7.6
137.05980	1.5
147.68666	0.6
165.05490	6.5
218.11772	11.5
228.06819	0.5
234.68102	0.7
236.12831	23.1
254.89799	0.6
263.17560	13.3
272.37274	0.6
281.18610	100.0
289.46332	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1704
Annotation	Naramycin B
Peak:m/z	Relative Intensity
55.01833	0.6
55.05463	1.4
55.05699	0.4
56.72070	0.4
57.55362	0.4
67.05450	0.9
69.03375	0.6
69.07008	19.1
69.07413	1.4
69.82684	2.2
70.06522	1.9
72.08094	1.6
72.08439	0.4
78.32472	0.4
79.05457	0.5
80.05019	2.0
81.07011	0.7
83.04984	6.2
84.04449	0.5
84.08076	1.2
86.09658	1.3
88.03965	0.8
93.07006	0.4
97.06498	0.6
100.11243	0.6
105.06963	0.4
106.06512	0.5
108.04414	1.8
109.10071	0.9
111.11728	2.7
120.08119	3.8
121.02805	1.1
122.09621	0.5
129.10228	0.6
130.04906	0.4
132.08060	0.7
133.06470	0.4
134.05969	0.7
134.09663	4.0
137.09578	1.1
146.09593	0.9
148.06419	0.6
148.07581	9.0
148.09422	0.8
148.11208	2.3
152.05632	1.3
158.09592	0.5
160.11145	0.4
161.05971	0.5
162.09148	1.0
165.03011	0.4
176.10652	1.1
176.14169	0.4
180.10196	2.5
182.11752	1.2
190.15924	9.4
194.08138	30.4
197.97003	0.4
202.08553	0.4
209.10501	4.4
218.15413	27.6
222.11339	0.6
236.16484	6.9
264.15967	100.0
265.16315	0.5
266.30618	0.5
282.17029	70.9
283.17401	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	281.1386
Annotation	Tanargyrolide
Peak:m/z	Relative Intensity
50.93203	0.9
53.03937	2.4
55.01866	2.1
55.05505	3.1
57.03438	10.2
59.04992	1.4
65.03924	1.4
67.05502	3.4
69.03437	12.2
69.07051	0.9
70.83485	2.0
70.83800	1.0
71.04987	2.5
79.05501	13.8
81.07069	8.4
83.04965	1.2
84.22385	1.1
87.04472	3.7
87.22353	1.0
91.05486	30.2
92.77577	0.9
93.07051	15.9
95.04995	2.8
95.08611	5.0
97.02885	4.7
97.06559	1.0
99.04440	7.2
103.05492	2.0
105.07038	100.0
107.04977	3.0
107.08603	22.8
108.08919	1.1
109.06527	5.4
115.05460	1.5
117.07014	2.3
119.04951	5.4
119.06108	1.8
119.08594	11.8
121.06521	5.0
123.04446	1.3
123.08076	4.4
128.06195	3.0
131.07045	1.6
131.08562	4.3
133.06500	13.1
133.10143	90.3
135.11743	2.0
137.06000	4.0
137.09567	1.1
143.07040	36.5
143.08554	7.2
145.10150	5.5
146.07269	3.4
147.08060	3.9
151.07552	10.2
151.11119	1.8
161.09633	83.5
162.09967	1.3
163.11188	16.2
171.08093	2.7
173.08160	2.7
179.10670	10.2
189.09131	30.7
207.10181	9.6
235.13324	4.1
253.14384	9.5
263.12820	5.2
281.10754	2.4
281.13864	42.4
281.18533	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.5
55.01868	4.1
55.05512	5.0
57.03441	11.0
65.03948	1.7
67.05520	5.9
69.03428	16.1
69.07058	1.3
70.61893	2.0
70.62266	2.3
70.84370	1.0
71.05003	5.3
74.77907	1.0
77.03912	0.9
79.05502	16.6
81.07058	17.1
82.55388	1.0
85.06555	2.7
87.04489	3.4
91.05490	29.6
93.07053	23.3
95.04961	4.4
95.08618	7.1
97.02895	11.9
97.06522	2.7
98.20872	1.0
98.97601	1.1
99.04466	12.9
100.11245	1.4
103.05490	2.2
105.07040	100.0
107.04986	4.0
107.08605	23.3
109.06544	6.7
109.10193	1.3
111.04458	1.6
111.08101	3.0
113.06023	1.7
117.07034	2.0
119.04968	4.7
119.06059	1.1
119.08581	7.7
121.06539	5.8
123.08098	3.7
125.05997	1.6
125.09663	1.6
128.06247	4.9
129.17816	1.1
131.07033	1.5
131.08588	3.6
132.05580	1.0
133.05614	1.4
133.06528	12.7
133.10143	85.4
135.11685	2.7
137.05965	5.9
137.09605	1.9
143.07056	29.3
143.08571	9.2
145.06517	1.6
145.10185	4.3
146.06291	1.1
146.07236	5.1
147.08057	3.7
151.07561	8.8
151.11205	2.9
161.09634	86.4
163.11186	11.9
165.09135	1.8
171.08043	2.4
173.08109	2.5
174.06752	2.3
178.39639	1.1
179.10674	14.1
182.69891	0.9
189.09135	29.3
207.10187	8.1
225.11313	4.0
235.13351	3.2
253.14423	3.4
263.12881	2.8
281.13885	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	281.1385
Annotation	(+)-Almuheptolide B
Peak:m/z	Relative Intensity
53.03946	1.9
53.12584	0.7
55.01869	1.7
55.05512	2.7
57.03441	9.4
59.30867	0.6
65.03945	1.3
67.05507	3.3
69.03436	15.1
69.07056	1.2
70.04790	1.6
70.05190	2.0
70.06603	0.8
71.04995	2.4
72.08177	1.1
75.04480	0.7
79.05499	14.6
81.07054	4.9
85.06509	1.2
87.04459	4.0
91.05486	29.5
93.07049	15.9
95.04984	2.7
95.08611	3.1
97.02924	1.8
99.04464	5.2
100.09256	0.7
100.11267	1.2
103.03900	0.6
103.05474	2.3
105.07037	100.0
107.04976	2.2
107.08603	23.4
109.06528	4.8
109.10183	0.9
111.08081	1.1
115.05433	0.9
117.07040	1.3
119.04959	6.7
119.06075	1.9
119.08588	10.0
121.06535	3.9
123.04461	1.0
123.08089	3.3
123.11686	0.9
125.05981	0.8
128.06238	3.3
129.07011	0.9
131.08583	3.6
132.12524	0.7
133.06511	8.7
133.10139	98.0
134.10458	0.7
135.07994	1.0
135.11714	1.6
137.05997	2.6
143.07048	31.0
143.08583	5.9
145.06514	0.7
145.10115	5.9
145.14160	0.7
146.07309	3.4
147.04424	0.8
147.08075	2.3
151.07558	10.5
151.11168	1.4
159.08026	0.8
161.09631	77.6
162.09978	0.7
163.11195	17.4
171.08089	3.0
173.08127	3.1
179.10698	9.4
189.09117	26.5
207.10161	9.4
235.13332	3.0
253.14381	13.4
263.12878	7.0
281.13858	40.1
281.18860	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1385
Annotation	(+)-Almuheptolide B
Peak:m/z	Relative Intensity
53.03925	3.2
55.01871	2.7
55.05511	4.7
57.03442	11.8
59.04987	1.2
65.03937	2.9
67.05512	5.0
69.03432	20.1
69.07060	2.0
69.55820	5.5
70.06597	1.0
71.05000	4.7
72.08157	2.7
74.93079	0.8
78.71175	0.9
79.05070	1.6
79.05496	19.5
80.04952	0.9
81.07056	11.3
83.04973	1.9
85.06551	2.1
87.04466	3.7
91.05482	32.3
93.07046	19.5
95.04965	3.8
95.08603	8.0
97.02900	4.5
97.06538	2.2
99.04461	6.5
100.11255	2.9
103.05493	3.1
105.07033	100.0
107.04978	4.9
107.08593	25.0
109.06516	6.0
109.10157	3.3
111.08083	1.8
115.05374	1.2
117.07041	2.5
119.04921	5.7
119.06096	2.1
119.08593	12.4
120.08109	1.2
121.06510	2.7
123.04442	3.5
123.08064	3.6
125.06002	1.2
125.09641	5.3
128.06218	2.8
129.07033	1.6
130.07710	1.2
131.07047	1.8
131.08562	4.6
133.06505	10.4
133.10135	81.8
135.08083	2.1
135.11682	3.1
137.05972	4.4
137.09621	3.1
143.07045	43.3
143.08551	7.9
145.10146	6.5
146.07285	2.8
147.08052	3.5
151.07570	10.5
151.11194	3.2
161.09625	72.3
163.11185	18.4
165.05527	2.0
165.09062	1.1
171.08089	3.7
173.08154	2.3
179.10690	13.4
181.05185	1.0
189.09108	29.3
189.10773	1.9
189.12563	0.9
207.10139	8.7
207.11450	0.8
217.08588	1.3
218.11801	1.0
221.09618	1.3
225.11151	2.1
235.13356	3.0
236.12756	1.1
237.14973	1.1
245.08130	1.4
249.09186	1.9
253.14438	7.5
263.12903	4.0
281.10941	2.6
281.13882	45.6
281.18674	3.5
299.06326	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.3
53.67002	1.0
55.01879	5.5
55.05524	7.6
56.96579	1.0
57.03436	13.1
57.07085	1.3
58.89680	1.0
61.59281	1.0
65.03939	3.6
67.05505	8.3
69.03074	2.1
69.03434	20.7
69.07074	2.2
70.06567	1.5
71.04999	6.5
71.05325	1.1
71.48901	1.8
72.08160	6.0
77.03915	1.1
79.05496	19.3
81.03418	1.4
81.07066	23.3
82.91869	1.0
83.04981	2.5
84.04512	2.4
84.08131	2.2
85.06549	5.3
87.04469	2.7
91.05489	29.4
91.06018	2.0
93.07055	22.2
93.07642	1.5
94.04223	0.9
95.04961	6.2
95.08611	10.3
95.41745	1.1
97.02901	10.7
97.06541	2.8
99.04478	13.2
100.11282	8.9
101.06024	1.4
103.05470	2.3
105.07041	100.0
107.04998	4.4
107.08601	28.5
109.02923	1.9
109.06531	10.4
109.10181	4.3
111.04443	1.6
111.08126	5.2
113.06074	1.4
115.05529	2.2
116.00066	1.1
116.92670	1.0
117.07059	3.6
119.04956	6.7
119.06102	2.0
119.08598	13.8
120.08135	4.6
120.81573	1.1
121.06541	4.3
121.10138	2.9
122.03616	1.5
123.04442	7.2
123.08060	6.0
123.11735	3.5
124.07594	1.2
125.06014	2.7
125.09657	6.4
127.07631	1.6
128.06284	3.9
130.05045	1.4
131.04933	1.6
131.07077	2.8
131.08574	7.3
133.06502	11.2
133.10143	77.3
135.11736	3.9
137.05975	17.2
137.06929	1.2
137.09630	2.8
139.72009	1.1
141.07045	1.6
143.07085	28.6
143.08536	8.6
143.09467	1.1
145.06555	1.3
145.10139	7.4
146.07306	3.6
147.08107	5.4
151.07564	7.1
151.11237	4.4
153.05524	1.3
154.12372	2.1
157.06502	1.0
157.10129	1.3
161.09636	84.0
161.13354	2.5
163.03940	1.3
163.11208	14.4
165.05582	2.2
165.09134	2.2
168.03937	1.0
171.08128	4.3
173.08118	3.2
179.10678	14.0
179.11929	1.1
189.09122	25.3
189.10719	1.5
193.10138	1.1
197.06076	1.2
207.10136	7.8
217.16005	1.6
218.11906	1.4
219.08092	1.2
221.06119	1.3
221.09818	3.1
225.05539	1.3
225.09238	1.2
225.11349	2.7
235.13431	2.0
236.12889	1.8
238.06657	1.1
249.09305	3.2
253.09010	1.2
253.12132	2.5
253.14462	3.7
263.13086	4.3
263.20352	1.7
267.05063	1.0
281.04636	16.9
281.08133	6.2
281.11539	6.3
281.14047	37.5
281.18484	8.5
299.06320	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.5
55.05504	0.1
56.05038	0.8
57.03444	0.3
67.02987	0.1
67.05504	0.3
69.07053	0.2
70.06596	0.8
71.48187	0.2
72.08161	3.4
73.04754	0.2
74.06082	1.7
75.59814	0.1
81.07082	0.2
84.04499	0.6
84.08150	1.0
86.09713	0.9
87.10009	0.2
88.04000	0.2
91.05484	0.2
92.02505	0.3
93.07059	0.2
94.04042	0.4
95.04949	0.2
98.97581	0.1
100.11260	4.4
102.05538	0.9
107.04975	0.2
109.05144	0.2
110.07156	0.2
114.09190	0.3
117.13906	0.5
119.03553	5.3
119.92416	0.1
120.06586	5.4
120.08007	1.1
121.06403	0.2
123.04444	3.4
123.07974	0.4
126.09152	0.5
129.06995	0.1
129.10229	0.7
131.04962	0.3
135.04396	0.2
136.06194	100.0
137.04605	2.4
137.06496	0.6
147.04425	0.2
147.09181	0.7
150.02664	0.2
161.05911	0.1
162.04117	53.9
163.04437	0.3
165.05484	0.5
175.03995	0.3
177.05562	0.2
184.76779	0.1
193.04982	0.2
205.04976	0.3
217.08482	0.2
218.11789	0.4
235.07576	0.2
236.12827	1.2
245.08095	0.2
253.04886	0.3
263.08997	0.3
263.17505	0.4
267.00027	0.2
281.09985	9.5
281.14999	1.3
281.18610	4.3
283.02884	0.2
299.06216	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.081
Annotation	Neodunol
Peak:m/z	Relative Intensity
53.09092	0.6
55.05502	1.9
56.42176	0.5
57.07055	1.1
67.05502	1.5
69.03407	0.6
69.07069	1.0
70.06600	0.7
71.00000	1.4
72.08150	1.0
79.05507	3.2
81.07050	1.8
83.08643	0.7
85.77560	0.5
91.05486	2.0
93.07059	1.5
95.04966	1.6
95.08575	1.4
97.02484	0.6
100.11259	2.2
103.05463	0.6
105.07030	1.2
107.04975	1.2
107.08598	0.7
109.02863	2.2
109.10147	1.1
115.05456	0.8
117.06997	0.8
119.08583	0.9
121.10188	0.7
123.04431	1.8
123.08043	0.7
128.06178	0.7
129.07001	0.9
131.08559	0.7
133.02846	2.1
135.08066	1.2
141.06993	3.2
143.08585	0.7
145.06528	0.6
147.04385	1.1
149.02380	1.1
151.02847	0.9
153.06953	1.7
153.40073	0.6
154.07791	3.0
155.04915	1.6
155.08566	1.0
159.08122	0.7
161.02338	3.2
165.07011	4.2
166.07771	3.5
167.08495	1.1
169.06560	0.8
169.10095	2.9
171.04462	0.8
173.02486	0.9
173.60376	0.6
178.07808	4.4
179.08569	9.9
181.06517	2.6
181.10124	2.1
182.07263	3.2
183.08154	0.8
187.03912	10.1
189.01843	7.7
189.06978	1.2
194.07269	1.5
195.04530	0.6
195.08020	0.7
195.11690	0.6
197.05959	0.9
197.09656	5.1
198.03188	0.9
199.03867	0.6
205.06500	0.8
207.08038	5.5
208.05165	1.1
209.09615	2.1
210.06769	2.2
211.03934	13.3
213.01860	4.4
221.05981	1.6
222.06761	2.2
223.07613	0.7
225.05560	1.1
225.09108	10.3
227.03389	4.4
235.07545	5.5
237.05429	0.9
238.06297	1.7
239.03409	74.8
240.03836	2.0
241.37807	0.7
251.07011	1.2
253.04848	1.3
253.08612	20.2
258.74991	0.7
263.17776	0.6
265.05020	4.4
266.05725	0.8
266.99918	1.3
279.06555	4.6
281.08102	100.0
281.18744	5.5
282.08383	1.7
283.03003	0.8
299.06226	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2319
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03949	1.7
55.01883	0.7
55.05516	11.1
57.03444	1.2
57.07078	5.6
65.03955	2.6
67.05511	94.0
68.05843	0.9
69.03422	0.7
69.07075	11.7
69.07427	1.1
69.70894	0.6
70.79982	1.4
71.05016	2.9
79.05499	17.1
81.07063	100.0
82.07422	0.9
83.05000	1.3
83.08626	7.9
85.06534	1.3
91.05485	6.8
93.07055	17.4
95.04977	0.9
95.08613	86.0
96.08957	0.9
97.06532	2.9
97.10187	4.3
99.08106	1.3
105.07039	5.9
107.08600	10.7
109.06556	1.1
109.10165	48.0
111.08096	1.1
111.11687	1.4
117.07046	1.9
119.08575	5.7
121.02897	1.1
121.10154	10.4
123.08097	2.0
123.11716	23.6
125.09638	1.1
127.07590	0.7
131.08574	5.8
133.10144	4.6
135.08080	1.5
135.11693	5.9
137.09607	1.6
137.13274	8.2
139.11192	1.4
145.10147	4.9
147.11694	4.0
149.02351	21.9
149.09641	1.6
149.13245	3.7
151.11253	1.1
151.14818	3.4
159.11667	3.1
161.13219	2.8
163.11208	2.2
163.14807	2.7
165.12762	2.5
165.16437	1.3
167.10725	1.4
173.13284	3.7
175.15027	0.7
177.12761	1.7
177.16428	1.0
179.14345	1.6
181.12259	2.8
187.14799	3.9
191.14339	1.4
195.13763	2.8
200.50069	0.6
205.15930	0.9
209.15364	3.0
219.21185	1.4
223.16887	4.0
237.18509	0.9
243.21147	4.3
261.22122	5.7
279.09393	0.7
279.16003	2.2
279.19687	3.7
279.23184	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2321
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
52.73985	0.5
53.03969	1.2
55.05518	11.0
56.68310	0.5
57.03431	1.1
57.07080	3.7
58.34315	0.5
65.03956	3.4
66.46777	0.5
67.05511	97.8
68.05861	0.7
69.07076	8.7
69.64063	0.5
70.84459	0.5
70.86636	1.2
71.04986	1.2
77.21758	0.5
79.05501	15.2
81.07065	100.0
82.07391	0.6
83.04986	1.2
83.08621	6.3
85.06519	1.2
85.10135	0.5
91.05473	4.4
93.07056	12.5
95.08617	84.6
96.08948	0.7
97.06520	1.4
97.10169	3.2
99.08045	0.6
105.07048	3.8
107.08605	9.0
109.06581	0.7
109.10169	46.9
111.08071	0.8
111.11729	1.0
117.07034	1.2
119.08601	4.3
121.02862	1.1
121.10158	8.7
123.08112	1.1
123.11720	23.5
125.09644	0.8
131.08578	4.2
133.10172	2.5
135.08034	0.8
135.11693	4.5
136.09973	0.5
137.09628	1.4
137.13275	10.1
141.09117	0.5
145.10130	2.5
147.11684	2.5
149.02361	16.2
149.09645	1.7
149.13278	1.9
151.11186	1.0
151.14841	3.9
155.10706	0.7
159.11716	1.8
161.13287	2.3
163.11188	2.0
163.14857	1.4
165.12715	1.0
167.10681	1.4
173.13336	3.0
177.12723	1.4
177.16382	1.0
179.14267	0.9
181.12257	1.2
184.97276	0.5
187.14861	2.8
191.14430	0.8
195.13808	1.7
205.15901	0.8
209.15399	2.6
219.21178	0.8
223.16960	3.3
237.18454	1.5
243.21118	3.8
261.22134	4.2
279.09406	0.7
279.19901	2.3
279.23209	37.7
300.62570	0.6
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
53.03949	1.0
54.30797	0.7
54.72960	0.7
54.82294	0.6
55.01868	0.8
55.03445	0.5
55.05515	8.3
57.07079	2.6
65.03941	2.8
67.05508	99.7
68.05829	0.7
69.07071	8.6
71.05012	1.3
79.05493	11.5
81.07060	100.0
83.08625	4.7
85.06548	1.4
91.05476	3.5
93.07047	9.1
95.04972	0.8
95.08612	77.7
97.06517	1.2
97.10184	2.6
97.70887	0.6
98.20734	1.9
99.08074	1.0
105.07030	2.0
107.08587	5.1
109.06525	0.7
109.10165	46.8
117.07018	1.4
119.08590	3.0
121.10157	6.5
123.08085	1.4
123.11711	28.4
131.08583	2.6
133.10150	3.0
135.08098	1.1
135.11711	4.2
137.09641	1.5
137.13263	10.0
145.10147	1.9
147.11694	2.2
149.02362	6.9
149.09634	1.9
149.13300	2.9
151.11151	0.7
151.14835	2.0
159.11739	2.5
161.13278	1.9
163.11180	1.3
163.14876	1.2
165.16447	0.8
173.13264	3.7
177.12779	1.8
181.12248	1.8
187.14784	1.9
191.14316	1.3
195.13811	2.9
205.15907	1.3
209.15382	2.5
223.16956	1.9
237.18564	1.8
243.21207	1.7
261.22192	4.2
279.16302	1.4
279.23209	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2319
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03947	1.7
53.78025	0.5
55.05513	12.5
55.05762	1.2
57.03439	2.0
57.07079	4.9
65.03941	3.1
66.82960	0.6
67.05508	94.7
68.05836	0.6
68.86627	0.5
69.07069	11.8
71.05001	2.0
71.06198	1.5
78.55780	0.5
79.05496	17.2
80.05844	0.5
81.07062	100.0
82.07419	0.6
83.04984	1.2
83.08619	7.0
85.06545	1.8
91.05492	7.2
93.07050	15.3
95.08613	81.6
97.06546	1.7
97.10174	4.3
99.08109	1.5
100.09931	0.6
105.07037	5.9
107.08599	13.1
109.06519	0.7
109.10164	49.8
111.08109	1.6
111.11718	2.1
117.07047	1.6
119.08588	5.0
121.02859	0.6
121.10152	10.4
123.08101	1.4
123.11719	23.8
125.09640	1.0
127.07551	0.7
131.08565	6.4
131.13135	0.6
133.10139	3.9
135.08095	1.4
135.11685	6.1
137.09645	1.3
137.13271	8.8
145.10121	3.9
147.11723	4.0
149.02348	14.5
149.09659	2.2
149.13254	3.3
151.11205	2.0
151.14830	3.1
153.09111	1.2
159.11707	2.8
161.13240	2.9
163.11215	2.3
163.14851	1.8
165.12827	2.1
165.16458	1.3
167.10696	1.1
169.12262	0.6
173.13307	2.5
175.14795	0.8
177.12776	1.8
177.16379	1.5
179.14320	1.5
181.12270	1.6
187.14810	5.6
191.14354	1.8
195.13824	3.2
201.04753	0.7
201.16499	1.0
205.15857	1.4
209.15402	3.5
217.19496	1.0
219.21135	1.3
223.16937	3.3
237.18655	0.7
241.39603	0.5
243.21117	4.7
261.22174	6.3
279.19833	2.4
279.23206	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.232
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03941	1.1
55.01878	0.5
55.05267	0.9
55.05518	9.9
56.54297	0.5
57.03428	1.1
57.07087	3.7
57.66069	0.4
65.03946	2.4
67.05509	95.7
68.05828	0.6
69.07070	10.8
71.04994	1.3
79.05499	14.5
81.07062	100.0
83.04996	1.5
83.08628	5.1
85.06544	1.2
85.29475	0.4
91.05481	4.6
93.07046	12.8
95.05000	0.7
95.08614	75.8
96.08920	0.6
97.06544	1.4
97.10165	3.2
99.08080	0.8
105.07038	4.2
107.08612	7.9
109.06520	0.9
109.10163	46.6
111.08107	0.8
111.11738	0.9
112.14130	0.5
117.07030	1.7
119.08585	3.3
121.02937	0.7
121.06471	0.8
121.10171	7.6
123.08077	1.5
123.11716	23.3
131.08582	3.7
133.10147	3.1
134.99487	0.6
135.08066	1.3
135.11687	5.1
137.09648	1.1
137.13261	8.8
145.10115	3.1
147.11693	2.6
149.01173	0.7
149.02364	11.7
149.09601	1.6
149.13307	2.2
151.11165	1.0
151.14836	3.2
153.09090	0.8
155.10724	0.6
158.69193	0.5
159.11720	2.4
161.13263	2.1
163.11224	2.5
163.14844	2.3
165.12746	1.0
167.10616	1.3
170.29016	0.5
173.13266	2.9
173.14560	0.5
177.12750	1.2
177.16429	0.8
179.14330	1.1
181.12288	1.7
187.14873	3.1
191.14351	1.0
195.13841	2.6
201.16341	0.7
205.15897	1.2
209.15390	2.8
219.21024	0.7
223.16994	3.5
237.18532	1.1
243.21133	3.2
261.22147	5.0
279.09427	1.1
279.19971	1.8
279.23199	37.8
280.23343	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.1
56.05016	0.9
57.07071	7.6
65.03934	0.8
67.05491	1.9
69.07065	1.1
70.06590	8.1
70.64826	1.6
70.65200	1.3
72.08154	18.4
74.06087	0.8
79.05494	1.2
81.07053	2.8
84.04486	1.3
84.08154	4.5
85.02901	0.7
86.09707	26.6
89.03905	6.5
91.05486	2.4
98.06042	1.2
98.97561	1.6
100.11228	1.2
103.12340	20.6
104.05811	0.9
107.04957	2.0
109.10151	0.9
110.07172	1.3
116.07087	2.1
117.03385	24.2
117.07087	0.8
118.06538	1.0
119.04935	1.8
120.08112	1.6
121.02863	1.9
121.06519	1.0
129.10236	5.5
131.04922	1.4
134.03619	0.8
135.04408	2.4
136.07553	1.5
145.02847	70.7
145.06511	2.3
146.06046	1.1
147.04388	2.2
149.02345	61.4
149.05960	8.6
153.05457	1.1
161.06042	1.3
163.03903	5.7
173.05951	1.5
175.03963	0.9
177.05470	100.0
178.05861	1.1
186.05510	0.8
187.09158	0.7
190.08611	0.8
191.03445	0.8
191.08220	1.1
197.06152	0.8
205.09659	0.8
210.07651	0.9
217.46091	0.8
219.03003	1.1
233.09885	1.5
237.67653	1.0
248.12863	3.8
261.12366	1.6
279.06393	2.7
279.09683	6.6
279.13678	2.2
279.17017	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1705
Annotation	H-Ile-Phe-OH
Peak:m/z	Relative Intensity
55.01866	0.6
55.05515	0.9
57.03426	0.5
57.07077	3.0
67.05502	0.9
69.03429	0.8
69.07067	1.6
69.63515	3.1
70.06594	1.8
72.08158	1.2
79.05500	1.3
81.07065	1.4
83.04962	0.7
84.08147	1.6
86.09709	100.0
91.05482	1.2
92.37514	0.5
93.07043	2.3
95.04967	0.8
95.08619	1.3
103.05480	3.5
105.07050	1.6
107.08608	1.2
109.06514	1.0
111.08071	0.7
115.05482	0.5
117.07017	0.7
119.08548	0.8
120.08110	65.0
121.02898	1.1
124.92972	0.5
125.09629	1.1
129.10291	0.6
131.05023	0.8
131.08571	0.8
132.10167	1.0
133.10121	0.7
133.89360	0.5
136.07614	1.5
138.09227	0.6
149.02361	21.3
149.09685	0.9
150.47952	0.4
154.08696	1.1
156.16365	0.5
159.11649	0.7
166.08644	9.2
167.03375	0.5
177.05534	0.9
177.09084	0.6
205.08569	0.5
233.16437	1.4
261.15607	0.7
279.06580	1.1
279.09790	0.8
279.17142	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	279.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.9
55.05528	1.0
55.93590	0.4
57.05798	0.4
57.07083	3.6
60.25351	0.4
63.36845	0.4
63.48439	0.4
65.82347	0.4
66.04014	0.5
67.05506	1.3
67.35749	0.4
69.03426	1.1
69.07073	14.7
70.06605	3.3
71.48608	1.0
72.08157	2.1
79.05469	1.1
80.38745	0.4
81.03401	0.6
81.07057	1.4
84.04504	0.9
84.08142	2.1
85.02901	0.6
85.06546	0.8
86.09710	100.0
87.10003	0.5
91.05486	1.9
93.07035	1.0
95.04972	0.6
95.08622	1.0
97.24148	0.5
98.97596	0.7
103.05502	0.9
105.07047	1.1
107.04974	1.0
107.08610	0.6
109.06527	1.0
109.10161	0.7
110.06014	0.7
110.07217	0.6
111.08085	0.8
115.05490	0.5
117.06998	0.6
119.04992	0.6
119.08597	0.9
120.08118	10.0
121.02877	1.1
121.06454	0.6
121.10168	0.8
121.78738	0.4
125.08443	0.5
125.09629	1.0
129.10284	1.1
130.08685	0.5
131.04933	0.7
131.08623	1.2
133.06511	0.5
133.10144	0.5
135.08072	1.2
136.07568	0.6
145.06544	0.6
145.10144	0.8
146.06073	0.7
149.02351	31.1
159.08054	0.6
163.03897	0.9
163.11266	0.6
163.99635	0.5
166.08652	5.0
173.13142	0.6
177.05518	0.6
185.92801	0.4
191.03436	1.0
233.08049	0.8
235.94090	0.5
251.10693	0.6
261.07660	0.9
261.12527	0.6
261.15128	0.6
279.06351	1.0
279.09076	2.1
279.13409	1.1
279.16949	3.6
293.50034	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1229
Annotation	Ulopterol
Peak:m/z	Relative Intensity
55.01869	2.4
55.05508	3.4
57.07083	7.3
65.03934	1.2
66.17944	0.7
67.05509	4.4
68.99788	1.5
69.03429	1.3
69.07065	2.5
69.07426	0.7
70.06596	0.8
70.81567	2.1
71.04997	1.3
71.08603	1.0
79.05482	2.6
81.07063	7.3
83.04984	0.9
84.08127	1.1
85.02886	1.2
85.06564	1.3
86.09687	4.4
91.05491	6.0
93.07041	5.1
95.04993	1.0
95.08596	5.7
97.06522	1.1
97.10207	1.1
98.97562	2.4
99.04513	1.0
103.05462	2.1
105.07055	4.1
107.04986	1.0
107.08583	4.1
108.08960	1.0
109.06537	1.5
109.10143	4.2
111.05625	0.9
114.86073	0.8
115.05466	2.5
117.07054	1.2
117.40524	0.7
119.04926	1.7
119.08592	3.5
120.08103	3.0
121.02871	2.5
121.10131	2.7
123.08109	1.0
123.10828	0.7
123.11710	3.1
125.09636	2.6
128.06245	1.0
129.06996	3.1
131.04942	1.3
131.08575	1.9
133.06454	5.8
133.10098	1.8
135.08035	1.4
135.11687	1.7
137.06003	1.1
137.09598	1.0
141.06984	1.6
145.06409	1.8
145.10092	1.8
146.03676	1.2
147.04413	11.2
149.02353	48.8
149.13310	1.2
151.11235	1.1
152.06245	1.1
153.07011	1.0
155.04851	0.8
155.08565	3.4
157.06541	1.3
157.10214	1.8
158.09494	0.8
158.99632	0.9
159.08073	1.5
161.05977	9.5
161.09598	1.4
161.13354	0.8
163.03918	0.8
163.07544	1.9
165.05487	2.9
165.07053	2.9
167.03389	0.8
169.06482	2.1
172.08855	1.2
173.06055	2.2
173.09616	1.8
174.06772	1.8
175.03922	27.1
175.07584	1.2
177.05460	2.6
177.09219	0.9
183.08073	5.1
184.08951	1.0
185.06027	6.3
186.03114	2.2
186.06714	1.2
187.07593	3.1
187.11172	1.4
189.05479	64.4
189.12872	1.2
190.07738	5.5
191.07007	2.5
191.08572	12.0
191.10399	1.3
197.06032	2.3
197.09612	1.0
199.07600	2.2
200.08308	3.2
201.05542	5.2
201.09125	4.2
205.06541	1.2
207.06534	43.6
208.08891	0.9
210.06766	2.6
211.07567	7.3
212.08318	1.1
213.05481	27.4
213.07480	1.7
214.06119	1.2
215.10629	8.5
217.12285	2.5
218.07277	4.6
219.08058	14.3
219.10152	4.2
220.08861	2.3
225.09120	11.1
227.07066	4.4
228.07806	9.9
235.07497	1.2
235.13359	2.3
236.08327	4.0
237.11191	3.1
243.10182	31.8
247.07550	6.8
248.08244	1.0
251.10686	28.3
251.98929	0.8
261.11243	100.0
262.11652	1.5
264.07758	2.2
276.40176	0.8
279.09952	22.1
279.12292	3.9
279.15598	1.5
279.19766	1.4
279.23083	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0482
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86278	4.3
56.96292	4.3
56.96547	9.7
58.06110	4.6
61.37782	4.4
63.50938	4.6
64.99199	4.6
66.16666	4.7
70.82729	4.6
71.39293	9.4
87.36653	4.1
98.97591	100.0
107.26586	4.7
110.97536	9.6
116.98631	30.0
127.54705	4.1
143.00240	6.5
158.99675	53.3
177.00742	34.4
219.01735	7.4
229.89481	5.5
237.02879	19.5
255.03828	9.0
279.04703	53.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.9
57.07076	3.8
63.02353	0.6
69.85968	1.5
69.86377	1.2
70.06596	2.7
72.08161	3.2
79.05484	1.9
81.07053	1.0
83.08603	0.6
84.08118	2.0
85.06555	0.7
86.09715	3.1
89.03416	0.7
89.03918	8.1
91.05469	1.3
95.04933	0.6
95.08609	1.0
103.12344	1.0
105.06998	0.8
107.04957	2.5
115.05436	0.6
116.01672	1.6
117.03391	14.4
120.08089	0.9
121.02854	1.5
129.10287	0.9
130.06538	2.0
135.03410	1.0
135.04419	17.9
136.07567	0.7
144.01123	0.5
145.02853	22.7
145.03941	0.8
149.02347	27.9
149.05946	0.8
150.07758	1.6
162.02193	1.8
163.03906	100.0
164.04303	1.4
177.05487	13.7
205.06564	0.9
233.06013	1.0
248.12746	0.5
262.11298	0.5
273.02554	0.6
279.06537	2.9
279.13370	0.8
279.17017	4.8
290.55002	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0393
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62223	1.8
56.96339	2.2
56.96569	22.9
71.46628	2.4
84.96024	5.9
98.97595	100.0
108.26953	1.7
110.97558	5.8
112.99095	3.6
114.89360	2.0
116.98627	20.3
119.01928	3.9
124.99120	11.5
128.98639	3.1
131.00189	2.6
134.99632	3.0
136.94034	9.7
140.98611	7.3
143.00177	16.1
143.01918	2.8
158.99681	39.0
161.01242	4.9
177.00749	27.5
179.73163	1.8
181.41295	1.7
197.51263	2.5
200.02415	2.1
208.72139	1.9
219.01810	15.9
221.05052	2.5
237.02831	73.3
238.68948	2.0
239.06226	2.3
255.03894	46.7
279.04300	35.3
297.04971	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	277.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25013	1.3
52.40464	1.2
53.03951	1.6
55.05514	12.2
57.07082	16.6
59.97167	1.2
62.30754	1.2
67.05509	32.6
69.07070	18.4
69.16107	10.7
69.16519	2.3
69.36929	1.2
70.44215	1.2
71.08636	9.7
79.05502	8.7
81.07060	74.3
83.08624	12.8
85.05095	1.3
85.10176	2.4
87.04465	1.3
91.05447	2.0
93.07069	6.3
95.08612	100.0
97.10179	8.4
100.32816	1.4
104.10733	3.2
105.07017	1.6
107.08593	3.3
109.10165	70.1
111.11711	3.7
119.08538	2.0
121.10086	1.6
123.11716	30.7
125.89809	1.2
137.13257	10.0
138.48276	1.4
147.11676	2.0
151.14876	7.6
165.16396	4.0
179.18068	1.7
204.39865	1.2
218.73701	1.3
235.13280	2.5
235.16988	4.3
277.11621	1.5
277.17984	2.4
277.21573	4.1
277.28970	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	278.1025
Annotation	N-Hydroxyannomontine
Peak:m/z	Relative Intensity
53.03930	0.6
55.05278	0.5
55.05515	7.1
56.05036	0.8
59.05000	1.2
64.92375	0.5
65.03919	0.5
70.06598	21.5
70.99316	0.4
71.47397	0.7
72.08157	12.2
83.44256	0.4
84.08147	3.5
86.09676	0.9
91.05465	1.1
103.05482	1.1
116.07066	1.1
117.07032	2.4
118.06545	1.4
120.08103	1.3
123.04435	1.9
124.77058	0.5
129.10219	1.0
131.04887	1.1
131.08548	1.6
135.03409	1.0
135.04422	17.0
141.06975	1.7
145.06487	4.2
146.06001	2.1
147.04405	1.5
148.03914	0.9
149.02304	1.2
149.04753	0.6
150.05531	3.5
159.08041	3.0
161.05991	0.6
162.05479	1.2
163.03917	24.3
163.07526	1.6
168.08067	1.0
169.06476	1.9
173.05983	1.6
174.06723	0.7
176.04639	0.7
177.05544	0.7
177.09114	1.4
178.05002	16.0
179.03392	1.5
187.07585	5.6
189.07817	2.5
190.04796	1.1
190.06389	3.3
191.07022	2.2
191.46504	0.5
197.05978	1.0
203.07050	2.6
204.10191	1.7
205.08578	5.5
214.08635	3.9
215.07120	2.9
232.09700	100.0
233.10030	1.5
278.10248	87.3
279.10599	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
51.02376	2.2
53.03934	6.5
55.05515	19.3
57.07064	2.4
62.14043	1.3
62.57706	1.3
65.03929	1.7
67.05508	34.7
69.07072	14.0
69.75367	8.2
71.04979	1.9
77.03938	2.0
79.05497	80.6
81.07061	34.1
83.03326	1.5
83.08617	7.0
91.05482	28.9
93.07048	100.0
95.04965	4.3
95.08611	21.0
97.06533	1.5
97.10152	3.6
98.20757	2.5
105.04489	3.3
105.07032	11.5
107.07879	2.6
107.08597	44.8
109.10152	11.4
117.07043	3.5
119.08588	9.2
121.10149	36.7
121.10812	0.9
123.11714	2.5
129.07033	2.0
131.08513	3.5
133.10136	9.8
135.10699	3.1
135.11691	44.8
137.09552	2.6
143.08563	1.8
145.10120	3.1
147.11647	7.6
149.13274	17.5
159.11679	3.3
161.03415	1.7
161.13266	4.0
163.14819	5.5
175.14874	2.1
177.21336	1.7
185.13396	2.1
195.13797	1.7
199.14815	1.5
207.13858	2.0
213.16368	1.8
221.15407	2.4
235.16902	3.1
259.20728	3.4
277.21637	49.1
296.08862	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2166
Annotation	Stearidonate
Peak:m/z	Relative Intensity
53.03949	5.2
55.01873	1.7
55.05277	1.0
55.05516	14.1
56.77058	0.8
57.07066	4.2
60.05844	1.0
65.03940	1.5
67.05508	35.5
67.68465	1.0
69.07071	15.2
69.93393	5.0
71.04986	1.6
72.08157	1.0
77.03934	1.7
79.05499	74.1
81.07065	35.9
83.04977	1.8
83.08627	7.2
85.06548	1.9
91.05488	28.0
93.07050	100.0
95.04971	3.9
95.08615	25.4
97.06522	2.5
97.10153	3.6
98.21455	1.3
105.04469	1.3
105.07034	15.3
107.08606	49.2
109.06551	1.9
109.10157	12.5
111.08116	1.2
117.07019	3.5
119.08589	11.1
121.10151	45.1
123.08077	1.7
123.11716	3.5
129.07053	2.1
131.08585	4.6
133.10155	12.8
135.08060	1.5
135.11699	55.4
137.09607	1.1
138.96426	1.2
143.08534	2.2
145.10152	4.3
147.11720	7.9
149.09645	1.1
149.13278	24.7
157.10178	2.1
159.11676	2.8
161.09630	1.3
161.13263	7.5
161.97780	0.9
163.11186	2.1
163.14865	6.1
171.11716	2.8
173.13280	2.8
175.14827	3.2
177.12755	1.1
181.12123	1.0
185.13332	2.3
195.13832	3.0
199.14841	2.7
203.14331	1.0
205.09898	1.0
207.13821	1.9
209.15477	1.1
217.16003	1.2
221.15363	2.9
231.17709	1.1
235.16910	5.0
241.19516	2.7
259.20615	3.9
277.21652	71.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2164
Annotation	Stearidonate
Peak:m/z	Relative Intensity
53.03938	5.8
55.05515	21.7
57.07072	6.1
67.05508	35.8
69.07073	21.9
69.62332	8.7
71.04985	4.1
72.08156	3.1
79.05499	71.1
81.03417	1.5
81.06592	2.7
81.07061	42.0
83.04967	2.4
83.08630	7.3
84.04478	1.7
85.06528	1.9
87.76154	1.4
91.05489	32.2
93.07047	100.0
95.04974	6.1
95.08612	28.9
97.06523	3.3
97.10183	4.6
105.04515	2.8
105.06394	2.1
105.07035	18.9
107.08606	51.1
109.06551	2.6
109.10145	16.2
117.07024	4.3
119.08593	12.5
121.06528	2.7
121.10149	40.0
123.08059	2.2
123.11698	4.6
125.09612	2.3
129.07010	2.4
131.08560	7.5
133.10136	11.8
135.08046	2.0
135.11697	48.5
137.05942	1.7
137.09610	1.6
143.08551	3.7
145.10138	4.8
147.08046	2.0
147.11720	7.4
149.02359	1.4
149.09695	1.8
149.13275	19.9
151.11168	2.5
157.10110	1.8
159.11758	3.3
160.07538	1.5
161.09657	1.6
161.13304	6.4
163.11237	2.0
163.14818	6.0
165.12737	2.2
171.11705	4.1
171.13873	1.3
173.13333	1.7
175.07513	2.2
175.14825	2.9
177.16437	1.6
181.12291	1.9
185.13277	4.0
189.12738	3.7
189.32806	1.3
190.12256	1.4
193.12099	1.4
195.13797	2.7
197.01257	1.4
199.14742	3.1
201.78033	1.4
203.14374	1.5
207.13898	2.1
213.16328	1.6
221.15288	2.8
235.13225	2.9
235.16980	6.2
241.19595	1.9
259.20627	6.6
277.09070	2.1
277.18326	4.9
277.21655	74.0
277.55753	1.6
287.56009	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1802
Annotation	[6]-Shogaol
Peak:m/z	Relative Intensity
50.43805	0.3
53.03938	1.3
54.61560	0.3
55.01874	9.8
55.05514	5.6
57.03438	0.4
57.07083	2.0
58.77611	0.4
65.03934	0.6
67.05510	6.6
69.03444	0.6
69.07075	5.0
70.62228	1.2
70.62576	0.3
71.04990	0.5
71.08636	0.5
72.08160	0.7
75.12809	0.3
75.78758	0.4
79.05497	11.9
81.07061	40.2
83.04977	1.9
83.08627	1.8
84.08121	0.4
85.06552	0.6
91.05492	4.1
93.06486	0.7
93.07046	9.6
93.07634	0.5
95.04961	1.1
95.08051	0.6
95.08617	6.9
97.06519	1.3
97.10162	0.6
98.21469	0.4
105.07034	3.7
107.04889	0.6
107.08604	7.0
109.06527	13.6
109.10161	3.2
111.04452	12.4
111.08109	0.8
117.07041	0.7
119.08583	4.8
121.10146	5.3
123.08073	1.6
123.11692	1.2
125.05974	3.8
128.06262	0.4
129.06963	0.5
131.08603	1.8
133.06502	0.4
133.10143	4.7
135.08066	2.5
135.11694	5.3
137.05988	100.0
137.13245	0.9
138.06363	1.0
139.07573	0.6
143.08534	1.4
145.10139	1.5
146.06041	0.4
147.08037	1.4
147.11697	5.0
149.02368	0.5
149.09625	3.2
149.13261	1.4
151.07555	2.4
151.11200	0.9
153.09108	0.4
157.10091	1.8
159.11739	1.1
161.09625	4.3
161.13269	1.8
163.11215	1.9
163.14804	0.8
165.09071	1.8
166.62199	0.5
167.10603	0.9
171.11668	1.3
173.13254	0.9
175.11188	3.9
175.14813	1.3
177.09152	0.5
177.12820	0.5
179.10661	1.9
181.12190	0.6
189.12787	1.2
193.12254	0.8
198.13974	0.4
203.17966	4.4
207.13879	0.5
213.16371	1.7
221.19016	1.1
223.14914	0.5
231.17474	5.5
235.13306	0.5
235.17012	1.4
241.15948	1.0
249.18578	2.8
259.10696	0.4
277.09116	0.4
277.11868	0.6
277.18051	5.5
277.21667	4.4
295.19141	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67085	0.5
58.66303	0.5
71.47160	0.6
78.29386	0.5
78.60149	0.5
99.11221	0.5
101.00863	0.7
115.02493	0.7
119.01935	0.7
119.75864	0.5
133.03395	0.7
157.01607	0.6
175.02724	1.1
180.42101	0.6
225.14464	0.5
231.47079	0.5
234.59703	0.6
277.08960	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	2.1
57.03437	1.0
57.07066	1.4
69.03420	3.1
70.92059	2.1
70.95864	3.1
70.99880	0.9
71.04989	2.0
81.03429	7.0
82.99819	3.9
85.02897	2.1
86.99359	0.8
89.00922	0.8
93.40887	0.8
98.97591	22.0
99.04453	3.8
100.00098	2.4
101.00888	40.9
105.00385	0.9
109.02888	8.0
113.00884	2.6
115.02440	4.2
116.98642	9.0
118.01156	3.3
119.01930	52.6
120.02129	1.0
121.01690	1.4
125.29741	0.8
127.02425	2.3
130.31514	0.9
131.01926	5.9
133.02759	1.0
133.03505	10.7
134.99657	2.5
137.02953	7.6
139.02390	3.9
141.00307	2.1
141.03955	1.2
142.01067	1.5
143.01901	17.8
144.02687	1.0
145.03490	9.9
147.05009	1.6
150.09341	0.8
151.04509	2.0
156.02676	2.4
157.03481	42.2
158.03847	0.8
159.00104	1.6
159.01382	8.0
159.05061	1.7
160.02184	3.8
161.02979	36.5
163.03882	8.8
167.01952	3.6
169.03482	2.4
171.05058	3.0
173.03001	2.2
175.04530	23.2
177.01012	7.9
177.02441	1.3
181.03387	1.4
183.05055	5.3
184.02173	2.1
185.02968	19.5
187.04498	7.5
189.06146	2.2
192.94824	2.3
197.03021	0.8
199.02971	1.3
199.04504	6.7
200.02553	0.8
201.06046	4.7
203.04037	10.6
209.03047	1.2
210.95985	2.0
217.05583	6.1
219.02040	2.8
221.05038	1.3
227.04008	2.3
234.95854	2.9
235.06572	1.9
235.16940	1.3
240.98689	1.0
245.05151	6.1
249.94707	1.2
252.96985	3.1
258.99765	12.8
259.06696	6.4
263.06192	1.3
267.95834	1.4
272.37912	1.0
276.96994	9.0
277.00900	10.1
277.07733	77.3
277.18048	1.6
278.07925	1.6
294.98010	6.0
295.08780	100.0
296.09064	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0323
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99534	36.0
57.81647	39.2
65.54241	38.0
78.88605	35.9
96.93241	35.9
98.20734	78.3
101.00894	42.4
173.02916	42.0
217.02191	38.7
250.17854	39.4
277.03189	100.0
277.08759	40.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0321
Annotation	selenoneine
Peak:m/z	Relative Intensity
55.58445	15.3
61.29222	18.2
69.85564	100.0
69.85896	16.6
79.31181	15.2
98.20802	19.3
101.32871	17.6
161.77966	18.5
202.55295	19.1
257.32239	17.9
277.03195	95.0
277.08954	61.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0322
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	7.4
69.85052	26.3
70.98109	5.9
82.99849	8.3
85.94737	5.1
86.08905	4.7
89.47282	4.4
97.02847	5.9
98.97582	15.7
101.00882	58.6
113.00858	17.0
115.02451	6.1
119.01926	51.5
126.65392	4.9
128.98538	5.0
131.01881	24.2
133.03444	6.6
140.53041	5.0
143.01921	53.8
145.03462	11.2
155.01915	19.5
157.03435	18.5
161.02965	80.7
167.01920	10.2
173.02975	30.4
175.52631	4.8
185.03004	19.7
191.04044	7.8
201.89186	4.6
203.04019	8.8
217.05501	7.3
245.05132	20.4
277.03510	8.9
277.07687	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.087
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36967	0.5
53.42305	0.5
55.01855	0.6
56.05009	0.6
63.17168	0.5
68.05035	5.3
70.06596	9.8
70.71740	1.2
72.08138	1.9
73.02877	0.5
74.34408	0.5
79.05477	0.7
81.03388	0.5
83.06081	0.8
84.04495	1.2
84.08132	2.6
86.09689	1.5
89.03908	0.8
90.94820	0.6
93.18477	0.5
96.04485	0.6
103.05472	1.0
105.73107	0.5
114.05538	57.8
117.03387	1.3
118.06537	0.8
120.08089	2.1
129.10260	1.0
131.04921	1.1
135.04424	35.0
136.07573	0.7
146.05984	1.5
147.04411	1.8
148.03918	0.7
149.06015	1.2
154.93668	0.5
158.09642	1.0
159.04393	1.4
160.07541	0.8
161.05969	1.5
162.05449	0.6
163.03911	30.1
164.04289	0.5
170.05893	0.5
175.06285	2.3
176.07098	1.7
177.05434	3.0
178.04982	0.8
179.03407	1.4
184.07605	1.3
186.09119	1.1
188.07112	3.2
191.87291	0.5
194.97406	0.7
202.08656	4.4
204.06555	1.5
204.10220	4.1
205.09712	1.4
205.11848	0.7
212.07104	1.8
216.06546	0.6
220.95366	0.6
230.08151	1.6
231.08966	2.5
231.11145	0.6
232.09688	17.5
240.06499	4.1
257.14355	0.5
258.07523	1.0
258.12750	0.5
276.08679	100.0
277.08994	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2734
Annotation	Kaurane
Peak:m/z	Relative Intensity
53.03953	1.7
55.05510	12.8
57.07079	8.0
65.03938	1.1
67.05508	30.0
69.07069	27.7
69.57643	4.1
71.08627	3.5
77.03888	0.7
79.05488	12.1
81.07059	100.0
82.07397	0.7
83.08624	12.1
85.10200	1.6
86.81693	0.6
88.07645	1.2
91.05476	4.3
93.07046	15.1
95.04958	0.7
95.08609	81.2
97.10174	8.1
105.07028	3.9
106.08681	0.7
107.08599	17.3
109.10161	51.2
111.11725	7.8
119.08583	1.2
121.10152	12.2
123.11711	25.6
125.13289	1.3
135.11699	9.1
137.13255	9.2
145.10126	1.0
147.11653	0.8
149.13254	10.7
151.14830	6.0
163.14792	5.3
165.16382	2.4
173.13246	0.7
177.16382	2.2
179.17961	1.4
191.17986	1.0
205.19437	0.9
218.82887	0.6
219.21063	2.3
275.04810	0.8
275.20251	3.4
275.27429	47.3
276.27762	0.8
295.72244	0.7
298.92581	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39248	2.5
55.05515	16.4
57.07083	14.3
61.97917	2.1
67.05510	25.6
69.07070	32.6
71.08617	5.1
73.60477	2.1
79.05511	15.6
81.03427	2.7
81.07062	100.0
83.08632	12.2
85.10171	2.1
88.07613	3.0
91.05472	13.2
93.07050	26.0
95.08613	80.3
97.10172	9.4
105.07015	10.5
107.08598	20.3
109.09478	4.5
109.10165	50.2
111.11774	2.6
112.96674	2.3
119.08607	5.5
121.06494	2.8
121.10152	23.1
123.08058	9.2
123.11721	20.3
131.08655	2.8
133.10063	5.0
135.11717	10.1
137.13255	8.8
145.10199	2.7
147.11626	5.6
149.13257	18.1
163.14807	9.7
205.19516	2.8
219.21106	4.1
275.04709	5.7
275.20190	20.6
275.23093	3.3
275.24506	3.9
275.27527	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00350	0.6
55.05501	2.4
57.07080	1.7
67.05513	6.2
67.34749	0.8
69.07068	2.1
71.49076	1.2
74.22679	0.8
76.02768	0.7
79.05486	2.2
81.07063	4.7
81.92268	0.9
83.08656	0.8
91.05485	1.7
93.07037	3.1
95.08612	10.7
99.50555	0.8
105.07041	2.6
107.08564	2.1
109.06559	0.8
109.10143	3.3
111.08074	5.3
119.08581	1.6
121.10126	1.9
123.08076	100.0
123.11667	4.9
131.08598	1.2
133.10083	1.8
133.44870	1.0
137.09621	10.1
137.13254	2.3
145.10043	0.8
149.13246	1.3
151.11127	1.0
151.14781	1.7
161.13338	1.1
167.94473	0.8
173.13210	0.9
188.52747	0.9
210.21651	0.9
217.00058	0.9
229.19214	0.9
257.22626	2.3
275.04788	1.7
275.10831	1.0
275.20093	4.4
275.23685	13.0
275.27609	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	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03936	3.0
55.01869	7.7
55.05283	1.6
55.05516	22.3
57.03436	2.9
57.07052	4.2
67.05506	32.0
69.03425	1.7
69.07067	12.9
69.33052	7.9
69.33471	2.6
70.06564	2.3
71.04980	4.0
71.06918	1.2
71.08618	2.3
79.05495	38.4
81.03446	2.4
81.07056	31.8
83.04967	3.5
83.08605	4.9
85.06570	1.6
88.07614	2.7
89.99211	1.1
91.05482	47.1
93.07046	29.4
95.04942	4.2
95.08604	15.3
97.06530	7.8
97.10168	3.0
103.05502	2.0
105.07034	70.0
105.82160	1.2
106.08652	1.8
107.04959	16.8
107.08588	21.2
109.06522	2.4
109.10165	17.2
117.07031	12.6
119.08583	38.4
121.06500	2.9
121.10149	12.0
123.08047	2.0
123.11675	3.3
125.09633	4.2
129.06969	3.0
130.07726	1.6
131.08562	18.7
133.06493	1.3
133.10135	41.6
135.08047	4.2
135.11687	3.6
137.09741	1.4
141.06956	2.5
143.08582	2.8
145.10118	18.3
147.11684	23.9
149.09624	31.0
151.11157	1.4
153.09137	1.4
157.10120	3.8
159.11703	9.9
161.13243	6.9
163.11177	3.1
165.09128	2.0
169.10115	2.0
171.11598	2.3
173.11829	2.1
173.13234	5.9
175.11168	2.1
187.11127	1.3
187.14833	2.1
197.13235	1.8
201.12788	1.9
205.12163	2.3
215.18008	2.1
219.17468	3.7
229.19633	7.4
229.68683	1.4
237.03593	1.3
239.17830	3.0
239.97327	1.4
247.20529	4.1
257.19040	14.1
257.26819	2.0
275.04953	2.0
275.20074	100.0
275.27756	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	275.2008
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03931	1.1
55.01869	1.8
55.05512	13.1
55.48366	0.9
57.07066	3.1
59.04997	1.0
66.33521	0.9
67.05507	15.1
67.34589	0.8
69.03423	1.1
69.07072	9.3
70.06577	3.3
70.66080	2.0
71.04978	0.9
71.06926	1.5
77.82013	0.8
79.05494	16.4
81.07066	17.3
82.24536	0.9
83.04967	1.5
83.08630	5.1
85.06525	1.2
88.07649	4.4
89.07958	1.6
91.05486	37.7
91.54634	0.9
92.01032	0.8
93.07049	15.7
95.04984	2.0
95.08614	9.6
97.06522	1.9
97.10170	1.9
102.09131	1.3
103.05459	1.1
105.07038	61.0
106.08646	2.7
106.95727	1.0
107.04958	1.7
107.08585	12.9
109.06529	1.4
109.10168	6.6
115.05482	1.4
117.06258	1.2
117.07029	10.7
118.07834	1.2
119.08586	32.8
121.06496	2.7
121.10172	5.1
125.09631	1.0
129.06979	2.2
131.08582	12.6
132.09361	1.2
133.09119	2.0
133.10136	39.8
135.08118	1.4
135.11682	2.2
137.09648	1.7
141.06966	2.0
143.08601	1.9
145.10129	14.7
147.11696	24.5
149.09621	3.9
155.08611	1.6
157.10143	2.4
159.11700	8.0
161.09663	1.0
161.13292	4.5
163.11174	2.0
169.10107	1.9
171.11684	3.1
173.13271	3.7
175.11191	1.6
177.12685	1.3
183.11775	2.1
185.13139	1.2
187.11195	1.2
193.12206	1.1
197.13362	1.0
201.12704	1.6
215.14182	1.1
219.13811	1.0
229.19481	1.8
233.15324	1.0
239.17926	3.0
257.18997	9.6
257.26715	2.0
275.20078	100.0
275.27759	35.5
276.20474	1.7
276.28125	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2009
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
50.32747	0.8
53.03941	2.5
55.01867	1.6
55.05273	1.2
55.05518	16.7
57.07072	1.6
65.03943	1.9
67.05180	1.2
67.05515	17.0
69.07075	9.7
70.06598	2.1
70.35055	2.3
70.35403	1.4
71.04998	1.5
79.05504	15.8
81.07066	19.8
83.05004	1.5
83.08616	5.4
85.06542	1.7
88.07629	1.5
91.05493	50.0
93.07059	19.4
95.04960	1.9
95.08611	12.3
97.06512	1.6
97.10151	2.9
103.05444	1.2
105.07043	73.2
107.04951	3.2
107.08607	12.6
109.06526	1.3
109.10190	5.3
117.07034	12.3
119.08595	35.7
121.06514	2.5
121.10162	4.9
123.08085	0.9
123.11746	1.2
125.09646	1.6
128.06270	1.0
129.07018	2.8
131.08592	15.3
133.10144	48.2
135.08067	2.2
135.11700	3.0
137.09616	1.3
141.06944	0.9
143.08537	2.8
145.09059	1.4
145.10144	16.4
147.08075	2.0
147.11697	25.2
149.09619	5.7
155.08565	1.5
155.10568	1.1
157.10178	3.0
159.11716	9.0
161.09660	1.4
161.13263	5.3
163.11244	2.6
169.10091	1.7
171.11755	2.2
173.13293	6.1
175.11240	1.8
183.11737	2.3
185.13293	1.2
187.11249	1.5
196.00487	1.0
197.13298	3.0
203.28288	1.0
211.14778	1.3
219.13763	1.2
229.19556	1.3
233.15289	1.6
239.18016	4.8
257.18997	7.6
275.20096	100.0
275.27759	16.3
287.49728	0.9
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	Dicranin
Peak:m/z	Relative Intensity
53.03932	1.9
55.01865	3.9
55.05512	18.0
57.03421	1.6
65.03938	1.8
67.05505	21.0
69.03395	1.6
69.07077	9.0
69.38937	11.7
71.04981	1.8
79.05502	26.4
81.07059	28.3
83.04958	3.1
83.08611	4.7
91.05486	42.5
91.73921	1.3
93.07047	21.5
95.04964	4.6
95.08611	17.9
97.06526	5.5
103.05466	2.0
105.07034	56.7
106.52223	1.6
107.04945	5.0
107.08595	18.3
109.06496	3.2
109.10139	8.4
117.07020	12.0
119.08588	35.0
121.06528	3.6
121.10128	8.3
123.08060	3.3
123.11697	1.8
129.06979	2.2
131.08586	17.0
131.44650	1.6
133.06503	1.6
133.10136	42.5
135.08072	4.1
135.11685	4.1
137.09599	4.3
143.08571	2.5
145.10135	15.6
147.08063	1.7
147.11693	23.1
149.09610	4.7
149.13200	2.1
151.11191	4.4
157.10121	3.4
159.11682	10.8
161.09692	1.8
161.13208	6.8
163.11200	5.9
165.12787	2.3
169.10207	3.1
171.11693	2.5
173.13264	6.2
175.11165	2.0
175.14828	2.3
177.12695	3.6
183.11742	1.7
193.12337	2.3
197.13312	2.9
229.19511	5.1
239.17955	8.4
247.20592	3.8
257.18945	10.7
275.20074	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	275.1062
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00807	1.9
55.01871	4.6
55.05505	3.4
55.93526	6.3
56.05036	5.2
56.96570	26.7
57.03437	9.3
58.99582	7.5
58.99861	1.9
60.04518	4.9
60.05641	2.7
60.08148	1.5
60.32642	1.7
61.02954	1.8
65.03935	2.1
67.05507	3.3
69.03429	5.8
69.04540	2.4
69.07079	9.4
69.75796	7.9
70.06600	18.4
70.98134	2.1
71.04996	2.9
71.95245	1.8
72.08149	13.1
72.93798	3.2
73.02901	3.0
73.08479	3.8
74.00658	3.4
74.06031	1.9
76.01833	2.9
76.02238	32.2
76.04005	3.0
79.05099	2.2
79.05493	9.9
80.05000	1.9
81.03441	2.1
82.06568	3.1
83.04998	1.7
83.06098	3.1
84.04491	7.0
84.08147	28.2
84.39377	1.7
84.96058	2.1
85.02908	10.1
85.04042	2.1
86.00644	2.3
86.06067	2.6
86.09717	8.9
86.99055	1.8
89.03910	3.2
91.05487	3.4
95.06065	4.7
96.08120	6.5
97.02895	8.0
97.06538	100.0
98.09683	3.0
98.97593	23.8
100.99145	3.3
101.00874	7.7
101.95045	1.8
105.03399	1.7
107.04952	6.7
108.08115	2.3
109.02892	1.8
110.07188	2.2
110.97580	5.6
113.07144	29.8
114.05543	4.6
115.05494	1.9
116.01707	8.6
116.05313	4.3
116.07073	3.1
116.98643	6.9
117.03368	4.1
118.02174	1.8
119.01911	13.0
120.08092	4.1
121.06477	2.7
121.08868	3.8
123.04435	2.5
127.03934	2.6
128.05298	5.1
128.98611	5.4
129.03740	3.7
129.10292	10.9
130.05035	3.6
130.06563	1.9
130.08687	2.1
131.00241	1.7
131.01930	4.9
132.95866	2.9
133.01688	2.1
135.04411	8.5
137.06006	2.3
139.03934	2.4
141.07054	2.2
143.01906	2.2
144.01126	4.9
145.03482	5.4
145.06436	2.2
146.99622	4.2
147.11292	2.3
149.06013	3.9
154.06818	13.1
155.01923	2.6
158.99646	3.3
159.05058	3.0
159.09200	2.5
161.02937	5.0
162.02217	17.9
163.03934	25.3
165.00679	2.2
169.03462	4.0
169.06461	2.3
170.06111	2.5
172.07899	6.3
172.56697	2.4
172.97575	4.5
173.02954	3.1
175.11975	2.2
177.00731	6.3
177.05489	4.5
179.03397	2.7
179.04826	18.5
185.01060	1.8
185.02948	2.4
187.04411	4.1
189.02501	3.0
190.98671	5.5
191.03601	2.0
193.04446	3.1
195.02353	2.3
195.95564	2.4
201.09238	2.3
203.01965	4.3
203.03908	3.1
205.96617	5.9
208.99617	3.8
213.13861	2.3
215.03787	3.0
219.01726	2.8
221.02983	55.9
221.97176	2.0
223.01712	3.8
223.97684	3.7
229.00198	6.9
229.05121	1.8
229.08498	3.7
232.99657	4.8
237.02866	2.2
239.04024	5.0
247.01369	3.0
251.97185	4.1
257.09521	28.4
274.98529	3.1
275.04129	13.2
275.06412	3.4
275.11035	23.0
275.19083	5.2
293.05066	7.6
293.10452	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0916
Annotation	EPIAFZELECHIN (2R,3R)(-)
Peak:m/z	Relative Intensity
53.03940	0.4
53.04795	0.3
55.01863	2.1
55.05508	0.8
56.05037	0.4
57.03423	0.3
65.03959	0.8
67.05503	2.2
68.99765	1.5
69.03436	1.0
69.07058	0.4
70.06589	0.6
70.31856	0.3
71.04986	0.4
71.47227	0.4
79.05507	1.1
81.03425	0.5
81.07064	0.8
83.04995	1.5
84.04483	0.3
84.08152	0.8
84.14611	0.3
85.02924	0.3
85.06542	0.4
86.09716	0.5
91.05480	1.8
91.38516	0.3
93.03423	1.1
93.07039	1.4
95.04977	2.3
95.08616	0.5
97.02930	0.7
103.05482	4.3
105.07059	0.8
107.04961	51.1
107.08562	0.5
109.06507	0.3
109.10183	0.7
109.18317	0.3
111.04456	2.7
111.08129	0.3
115.05438	0.4
117.07025	1.2
118.06563	0.4
119.04910	0.4
119.08600	0.7
120.08102	0.7
121.02872	1.1
121.06511	5.3
121.10177	0.3
123.04454	1.0
125.05949	0.3
127.03940	0.8
131.04941	2.4
131.08551	0.5
133.06503	0.6
133.10115	0.6
135.04410	0.5
135.08073	0.6
135.11719	0.3
139.03909	100.0
140.04276	0.5
142.03291	0.4
145.06493	7.5
145.10240	0.3
147.04430	1.0
147.08037	0.4
147.11674	0.4
149.05988	25.2
151.03906	1.2
153.05489	0.5
155.04843	0.3
155.06041	0.5
159.11662	0.5
161.05992	1.7
163.03949	1.0
163.07550	1.8
163.11241	0.4
169.04944	1.8
173.05957	2.6
181.04984	1.1
182.04784	0.3
187.03828	0.3
187.07602	0.8
191.05278	0.9
191.07016	8.4
201.06618	0.4
215.07045	0.4
233.08113	1.3
237.89230	0.3
247.04024	0.4
257.08038	1.6
257.12833	0.5
265.04907	0.4
275.09140	7.1
275.13876	1.1
275.16708	0.4
275.20129	0.8
276.09454	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63393	0.5
57.07080	84.0
58.99587	1.6
69.07069	2.0
69.21153	4.5
70.06586	1.2
72.01193	0.5
72.08158	0.8
74.27026	0.5
76.02234	6.1
76.19779	0.5
77.40378	0.5
79.05480	0.5
83.04986	1.9
85.06549	100.0
86.94253	0.6
86.99051	1.9
97.06544	5.2
98.20779	0.8
103.07639	0.7
105.00098	2.4
107.08584	0.9
122.02735	29.7
128.05264	0.9
135.11749	0.5
143.34311	0.5
151.48645	0.6
153.12755	17.9
157.74866	0.5
166.14871	0.5
174.05882	1.3
190.04839	0.7
190.09032	0.7
206.08388	1.4
207.06830	0.6
210.12984	0.6
274.14789	6.8
274.18616	0.9
274.27322	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.0
55.05497	3.7
56.05042	6.8
59.97540	0.9
60.04506	2.3
60.33213	0.8
67.05502	3.9
69.03434	1.5
69.07062	3.9
70.02955	1.6
70.06598	21.7
72.08165	13.5
82.06586	9.3
84.04506	3.3
84.08149	100.0
85.02906	1.1
85.04028	3.6
85.06532	1.3
85.08463	2.1
86.09709	12.6
91.05487	13.1
93.07053	1.3
94.06561	1.1
95.01340	1.0
95.04958	2.2
96.08131	2.6
98.06059	1.7
98.64147	1.0
99.09251	4.7
100.07615	1.2
101.10790	1.7
103.05475	4.1
105.07050	1.7
106.06548	1.4
107.04965	8.4
110.06065	2.3
111.09178	2.6
112.07614	3.8
113.03429	1.1
113.08331	1.2
115.08727	1.0
116.03442	1.5
116.07087	1.8
117.07047	1.2
118.06554	26.1
119.04943	1.7
119.07368	1.1
120.05336	0.9
120.08107	20.2
123.04400	1.5
124.07606	8.2
127.08662	4.4
128.07059	1.7
129.06931	1.7
129.10251	11.5
130.06509	2.6
130.08670	1.4
131.04950	1.5
132.08060	1.0
136.07619	2.1
137.21562	0.8
138.23669	0.8
138.47137	0.7
139.07697	0.8
139.08644	4.5
141.06979	1.2
141.10167	1.0
144.08179	1.3
145.06075	2.7
145.07552	0.8
146.06010	21.4
147.04367	1.7
147.11308	2.0
148.07625	1.1
151.08656	6.3
155.08237	1.4
156.08142	1.2
157.13365	5.0
158.05981	1.1
159.09200	1.1
161.09195	1.1
164.06969	1.1
167.08571	2.0
167.28273	1.1
169.09882	2.4
170.09569	1.2
171.09158	2.7
172.99838	1.0
173.07079	3.9
175.11885	2.3
178.02171	1.4
179.08240	1.9
184.07568	3.8
184.11249	3.5
185.12839	1.0
186.12550	3.7
187.08687	1.4
190.10806	0.8
194.09604	2.2
196.11221	3.2
201.06544	2.8
211.12433	2.0
212.07104	0.8
212.10693	11.4
213.11172	0.9
213.11877	1.4
213.13890	14.0
214.05876	1.2
214.12277	2.3
219.14888	2.0
222.09111	1.0
228.10390	1.6
229.13362	9.4
230.16536	1.0
231.15085	1.5
239.11810	6.1
240.10210	12.6
243.13110	2.0
243.40021	0.8
256.14563	4.1
257.12869	43.4
265.14474	1.0
273.15521	2.2
274.07846	1.6
274.12903	1.7
274.15500	28.1
274.18695	6.8
274.27362	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	274.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91453	0.8
53.03938	1.8
55.01857	1.5
55.05516	25.2
55.61068	0.7
56.05043	8.9
57.03434	1.8
57.07059	1.5
58.65453	0.8
59.04959	0.6
60.04530	46.9
67.05513	9.0
68.05019	1.6
69.03412	2.1
69.07083	5.7
69.45135	4.6
69.45541	1.0
70.02944	1.6
70.06598	6.8
71.05003	5.9
72.04500	2.1
72.08138	2.7
73.66415	0.8
74.06083	3.9
77.23554	0.7
79.05498	8.7
80.04998	3.1
81.03407	3.2
81.07063	15.7
82.06588	7.7
83.04989	8.9
83.08157	1.1
83.08620	16.9
83.83619	0.8
84.04502	1.0
84.05332	0.9
84.08157	4.6
85.06538	4.9
86.09706	2.6
88.07646	0.8
91.05479	2.6
93.07050	5.6
93.72331	0.8
94.06570	2.8
94.49207	0.8
95.04985	2.2
95.07344	0.9
95.08609	6.4
96.08110	2.9
96.08978	0.8
97.06522	3.1
97.08904	2.9
98.06003	0.9
98.09691	6.1
99.08100	4.8
105.07027	2.5
107.08563	1.1
108.08128	1.4
109.06485	1.3
109.10142	0.8
110.07142	1.0
110.09673	2.3
111.04433	2.2
111.08105	2.5
112.11250	7.1
113.09677	0.9
119.08530	1.4
120.05311	1.5
120.08114	3.5
121.10076	0.9
122.09686	2.9
123.04399	1.0
123.08028	2.4
124.11281	4.6
125.09631	2.4
126.09954	1.5
127.61292	0.9
128.10732	1.2
129.05481	0.8
129.10266	1.1
130.04935	1.6
130.06575	1.6
138.09157	1.6
140.10735	7.6
141.09102	1.9
142.12285	100.0
151.11227	0.9
154.07457	0.8
158.11681	3.5
173.11690	1.0
175.11929	0.8
176.05420	3.3
176.12851	6.5
208.16991	1.5
214.88232	0.7
238.18063	2.3
256.19232	4.2
257.12943	0.9
274.12854	1.0
274.15366	1.2
274.20212	34.9
274.27530	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	273.2577
Annotation	Trixagoene
Peak:m/z	Relative Intensity
52.70159	2.9
55.05515	19.0
57.07060	10.3
67.05504	20.8
69.06737	3.7
69.07069	45.2
69.28916	3.0
70.06592	5.9
71.08611	4.4
79.05500	14.3
81.06670	4.1
81.07064	55.3
83.08625	22.4
91.05465	11.1
93.07051	28.2
95.08614	63.9
97.10161	8.9
98.20712	6.6
105.07039	23.3
107.08600	47.9
109.06522	3.4
109.10155	46.2
111.11752	6.5
119.08578	18.5
121.10163	40.0
123.11705	27.6
132.10185	3.5
133.10139	10.5
135.11702	33.7
137.13220	8.3
143.08569	4.1
147.11697	17.7
149.13275	33.9
161.13254	15.2
163.14822	40.2
175.14839	11.8
177.16383	23.0
189.16386	6.8
191.17911	6.7
193.07602	3.9
199.07591	3.8
200.08397	3.9
203.17937	19.2
207.09158	3.5
213.07494	3.7
214.09921	3.5
217.19461	20.3
220.10104	3.6
221.08908	4.6
228.09691	9.0
229.55814	5.8
231.21057	4.4
235.60944	10.9
236.11252	10.5
237.12074	8.9
243.12071	48.7
243.62189	5.6
252.12653	4.3
273.22931	5.2
273.25781	100.0
274.27481	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	273.2577
Annotation	Trixagoene
Peak:m/z	Relative Intensity
51.34905	1.3
52.07916	1.5
52.82901	1.4
53.03933	2.4
55.05511	14.2
57.07075	7.7
57.61656	1.3
65.03912	1.4
67.05144	1.4
67.05506	26.3
69.07076	33.0
69.16233	13.0
70.72215	1.2
71.08630	2.3
79.05499	13.9
81.07059	57.6
83.08620	13.2
89.45680	1.1
91.05504	11.5
93.06486	2.3
93.07050	37.8
95.04884	1.1
95.08615	68.3
97.10165	9.1
105.07034	25.7
107.08601	47.4
109.06454	1.4
109.10159	50.8
110.95718	1.2
111.11709	4.6
117.07027	1.3
119.08585	23.4
121.10150	39.3
123.11716	35.9
131.08594	2.6
133.09219	2.5
133.10130	17.3
135.11707	30.6
137.13251	10.6
141.55540	1.3
145.10138	3.3
147.11702	16.4
149.13261	37.1
149.14388	2.1
151.14824	7.7
161.13263	22.6
163.14844	25.4
165.16402	2.2
175.14847	13.2
177.16418	18.9
189.14824	1.6
189.16426	22.3
189.18095	1.6
191.17967	8.9
202.92854	1.5
203.17944	14.3
217.19510	23.6
231.21057	2.2
273.25784	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1848
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
51.01924	1.6
53.03956	1.4
54.01208	1.4
55.01864	2.5
55.05521	7.3
55.05727	1.3
57.07065	3.4
62.82740	1.5
65.03925	2.2
67.01865	2.3
67.05508	11.0
69.03416	4.7
69.07079	9.0
69.92830	6.6
70.06596	1.9
71.05000	3.1
71.78697	1.5
72.08150	1.6
77.03937	1.8
77.86119	1.4
79.05499	8.6
81.07060	17.8
83.04984	1.9
83.08614	2.9
85.02931	1.5
85.06543	4.0
86.09718	1.8
91.05485	21.2
93.07056	14.4
95.04964	6.3
95.08624	9.0
97.06499	2.8
99.10191	1.4
105.07037	28.8
107.04963	2.8
107.08614	21.2
109.06522	22.6
109.10136	5.0
111.04395	1.6
111.08069	3.9
112.88392	1.5
115.05417	2.8
117.07014	7.9
119.04950	12.7
119.08582	27.6
121.06481	2.6
121.10149	13.6
123.04435	4.4
123.08071	3.8
123.11755	2.6
125.09675	1.7
128.06238	4.9
129.07007	11.7
130.07820	3.7
131.08582	17.9
133.06490	9.3
133.10147	16.1
135.08070	8.1
135.11723	3.8
137.09627	3.9
141.06981	6.4
142.07759	7.5
143.08595	16.9
144.09314	4.6
145.06398	1.6
145.09087	1.7
145.10150	23.5
147.04430	25.8
147.08070	6.4
147.11700	11.5
149.06050	1.9
149.09622	6.1
149.13268	3.2
151.03912	2.0
151.07565	2.0
153.01840	61.5
153.06920	2.7
154.07825	2.5
155.08585	12.6
156.09367	16.9
157.10130	30.3
158.10927	2.5
159.08099	3.1
159.11719	11.8
160.03978	2.4
161.06078	1.9
161.09634	7.0
161.13289	2.2
163.11185	2.0
165.07008	5.0
166.07784	2.7
167.08557	5.5
168.09375	2.7
169.10132	19.7
170.10893	6.0
171.02843	1.8
171.11699	30.4
172.08742	1.6
172.12480	2.9
173.09633	19.4
173.13264	6.8
174.10388	3.2
175.11198	8.5
179.08549	2.0
180.09402	2.6
181.10187	7.8
182.10927	10.0
183.11751	11.4
185.09634	3.2
185.13229	10.8
187.11171	5.0
187.14848	4.7
189.12756	16.8
193.10147	4.8
195.11670	9.1
196.12511	5.7
197.13271	40.2
197.15065	3.0
198.13982	5.1
199.11192	16.6
199.14894	1.8
207.11668	4.1
209.13217	3.5
211.14862	14.5
212.15659	10.7
213.09186	1.8
213.12814	6.6
213.16403	27.2
214.13496	2.8
215.14264	9.0
217.12279	4.1
222.14000	4.3
222.50954	1.6
225.12752	5.1
227.14291	9.9
227.18016	2.3
229.15898	10.4
230.16647	4.1
231.17476	5.5
237.16383	9.0
239.86055	1.6
240.15137	6.9
255.17476	54.8
272.18100	1.6
273.07614	48.7
273.18521	100.0
273.21622	3.6
273.25891	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	273.076
Annotation	5,8,4'-Trihydroxyflavanone
Peak:m/z	Relative Intensity
52.29094	0.7
53.03947	2.5
53.61280	0.7
55.01864	1.6
55.05503	1.8
60.04525	1.0
65.03940	1.8
67.05507	4.7
68.99799	5.3
69.03456	1.8
69.07076	1.1
69.75921	1.7
69.76335	3.1
70.06599	4.9
71.03791	0.7
71.05009	1.8
72.08157	2.6
79.05488	2.1
81.03410	2.3
81.07083	1.6
83.04986	2.8
84.04515	1.3
84.08173	5.4
85.02905	1.3
86.09714	4.7
91.05490	11.3
93.07047	1.1
95.04982	28.4
95.08640	0.8
97.02903	1.5
99.04462	1.0
103.05476	0.9
105.03437	0.9
105.07053	2.6
107.04968	32.2
107.08623	0.9
109.02893	0.9
110.07173	1.7
111.00845	0.9
111.04446	2.1
111.08099	0.8
112.08746	0.8
115.05467	1.5
117.07043	1.4
119.04958	100.0
120.08118	1.6
121.02872	9.3
121.06536	2.0
123.04441	62.7
125.09680	2.1
127.03957	1.7
128.06273	1.1
129.10284	2.1
131.08607	1.6
133.06519	7.0
135.04431	1.2
139.03961	5.3
140.93242	0.9
141.07025	3.0
144.95938	0.7
145.02869	0.8
145.06516	2.7
146.06021	1.1
147.04427	15.6
147.08041	1.1
149.02368	26.8
149.06021	2.4
151.03926	17.8
153.01894	0.8
153.07043	3.0
155.04964	0.9
155.06082	1.2
155.08594	0.8
157.06528	2.2
159.08043	1.1
161.06012	3.4
163.03845	1.2
164.47047	0.7
167.04848	0.8
167.68248	0.7
169.06517	4.3
171.04407	3.6
173.05949	1.1
173.12944	0.8
179.03389	1.8
181.06543	2.5
185.06015	3.3
187.03925	1.3
187.07576	1.9
189.05487	2.6
197.06081	3.0
199.07620	2.4
201.05476	0.9
203.07069	1.2
213.05493	1.8
213.09209	1.4
215.07057	24.8
227.07178	2.8
231.06596	2.7
242.05887	0.8
243.06577	24.6
243.09012	1.5
243.11287	0.8
245.08084	7.5
245.12965	1.0
246.47792	0.8
255.06523	6.1
255.11440	1.2
273.04309	1.2
273.07556	14.0
273.12473	4.9
273.15454	1.3
273.18930	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0758
Annotation	Protosappanin A
Peak:m/z	Relative Intensity
50.46716	0.6
53.03942	2.6
53.10482	0.6
53.29111	0.6
55.01863	2.0
55.05508	1.9
63.81495	0.6
65.03936	1.8
67.05508	2.3
68.99796	3.1
69.03426	2.6
69.07055	2.8
70.06581	4.0
71.48170	0.7
72.08157	2.9
79.05485	1.3
81.03423	1.3
81.07058	1.6
83.04982	2.4
83.06078	0.8
84.04512	1.2
84.08157	5.1
84.42236	0.6
85.02904	0.9
85.06545	1.1
86.09711	5.8
91.05483	11.0
93.07059	0.7
95.01321	2.2
95.04977	24.4
95.08587	0.7
97.02895	1.0
97.06551	0.7
99.08128	0.7
105.04499	0.9
105.07041	2.4
107.04958	32.9
107.08590	0.7
109.02922	0.8
109.06509	0.8
110.07171	1.5
111.00771	1.1
111.04467	1.4
115.05404	1.4
117.07024	1.3
119.04948	100.0
120.08146	1.1
121.02888	5.7
121.06520	1.3
123.04434	53.2
125.09658	2.0
127.03908	1.1
128.06267	0.8
129.05473	0.6
129.06998	1.8
129.09149	0.6
129.10231	2.9
130.05029	0.7
130.08649	0.9
131.04900	1.0
133.06503	8.1
133.18555	0.6
135.04384	0.9
136.07639	0.9
139.03889	4.2
141.06998	0.8
143.05028	0.7
143.08617	0.6
144.08099	1.0
145.06461	6.7
147.04417	20.8
149.02336	11.9
149.05983	1.7
151.03909	15.2
152.07170	0.9
153.06992	3.1
155.06018	1.2
157.06503	4.1
159.08038	1.1
159.11641	0.9
160.05217	0.8
161.06021	5.7
169.06482	2.9
171.04391	5.4
171.05490	0.6
171.08034	1.3
173.13438	0.7
175.07552	2.1
177.01840	2.1
177.05479	1.2
179.03409	1.2
181.06506	3.1
185.05936	3.2
187.03961	0.8
187.07591	2.0
189.05447	5.2
197.05977	1.2
199.07518	1.8
201.05496	1.8
203.07054	1.9
209.06075	0.7
212.04753	0.9
213.05550	3.7
213.09094	1.4
215.07047	10.4
223.97324	0.6
227.06860	4.8
227.11725	0.7
231.06552	5.0
241.08569	1.0
242.05605	0.7
243.06541	9.4
245.04318	0.8
245.08041	8.1
255.06514	7.0
267.96799	0.7
273.04016	1.6
273.07556	15.3
273.12518	4.2
273.15118	1.0
273.18497	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0759
Annotation	Protosappanin A
Peak:m/z	Relative Intensity
55.05507	1.5
67.05519	1.1
68.99777	1.7
69.03423	1.4
69.07087	1.1
69.58569	0.9
69.67368	0.9
69.81136	1.9
69.81555	3.8
70.06580	5.0
72.08173	5.4
79.01847	1.3
79.79957	1.0
83.04971	0.9
84.04522	1.6
84.08118	4.2
86.09708	2.0
90.04669	1.1
91.05438	1.2
95.01306	4.4
95.04953	1.8
98.21404	2.0
99.80417	1.0
103.05470	1.0
105.07035	1.1
107.04953	2.3
113.54844	1.0
115.05437	6.1
119.04939	4.3
120.08117	2.9
123.04452	7.9
127.05408	1.8
128.06256	4.5
129.07019	9.2
129.10217	2.6
131.08452	0.9
132.05667	1.3
139.05438	39.4
140.06227	10.4
141.07021	5.6
143.04900	1.2
145.06480	2.1
147.04407	2.1
147.11287	1.5
147.39993	1.0
149.02298	2.4
149.05933	1.3
151.03886	1.4
152.06215	6.4
153.05698	0.9
153.06995	23.8
154.07774	2.9
155.06067	2.2
155.08574	14.1
157.06519	11.5
160.05212	18.1
161.05817	1.8
165.06993	4.1
167.04924	21.3
168.04384	1.2
168.05719	14.8
169.06502	4.8
170.03726	2.0
171.04442	3.7
173.05962	4.1
177.01845	6.5
181.06477	9.2
183.08089	12.2
184.05173	1.2
185.05983	16.9
186.06758	5.7
188.04698	43.5
195.04495	6.2
196.04993	1.8
197.05994	14.3
198.03154	1.1
198.06737	5.2
199.03934	10.4
199.05562	1.2
199.05905	1.0
199.07533	9.5
200.04575	1.4
200.86530	1.0
201.09158	1.2
203.07062	3.4
204.79457	1.1
211.07547	6.8
213.05475	86.3
214.06218	9.5
216.04192	33.9
216.05763	0.7
220.02034	0.9
223.03867	1.4
227.10309	1.5
231.06538	100.0
232.06714	2.0
241.04982	39.3
241.08621	1.9
268.97290	1.0
273.07581	35.9
274.07938	1.0
280.61099	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0758
Annotation	Protosappanin A
Peak:m/z	Relative Intensity
55.01875	2.3
55.05523	1.1
56.96537	1.1
64.32459	1.0
67.05496	1.3
69.03434	2.2
69.07034	1.1
69.98633	4.6
70.06578	6.0
72.08142	4.2
83.04951	1.2
84.04526	1.0
84.08153	7.7
85.02900	2.6
86.09720	4.8
91.05471	3.2
95.00784	1.1
95.01317	4.7
95.04950	3.9
98.97563	1.0
107.04955	5.0
109.02839	1.1
110.07158	1.8
111.04487	1.1
115.05450	6.2
117.06984	1.5
119.04944	12.5
120.08126	1.0
121.02837	2.3
121.06490	1.2
123.04440	13.6
128.06230	7.1
129.07004	9.5
129.10262	2.7
131.04930	1.8
133.06508	1.0
135.04411	1.6
137.05911	1.3
139.03862	1.6
139.04297	1.7
139.05438	32.8
140.06210	8.5
141.06989	6.2
145.06425	2.9
147.04407	3.9
149.02333	3.1
149.05904	1.8
151.03871	2.2
152.06204	7.6
153.06998	20.2
154.07741	1.2
155.04947	1.8
155.06082	1.8
155.08559	11.0
157.06482	10.7
160.05190	15.9
161.05983	2.5
162.05455	1.1
163.03902	1.7
165.06998	3.0
167.04955	15.6
168.05685	11.5
169.06473	4.4
170.03571	2.2
171.04434	4.9
173.05952	3.1
175.07486	1.6
177.01904	6.5
177.05472	1.1
181.06490	7.0
182.07135	1.3
183.08067	8.7
184.05241	2.3
185.05991	22.2
186.06723	4.0
188.04688	39.4
189.05431	1.8
195.04384	4.6
196.05247	1.9
197.05943	10.8
198.03043	1.3
198.06723	3.8
199.03920	9.9
199.07547	9.0
200.04730	2.6
201.05457	3.4
201.09081	1.3
203.07040	4.7
211.07625	4.6
213.05475	87.0
214.06194	6.8
215.07069	2.3
216.04182	28.1
227.07001	2.8
231.06532	100.0
232.06892	1.6
241.04962	43.6
241.08600	2.2
242.05109	1.5
243.06564	2.1
245.08104	2.7
255.06442	3.1
257.26697	1.0
273.07565	43.2
273.12222	1.7
274.07925	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	4.5
58.99579	1.1
69.42850	2.7
70.06599	12.0
72.08148	0.7
74.80943	0.4
75.57330	0.4
76.02230	0.7
79.50160	0.4
81.07042	0.7
82.06587	0.9
83.04987	37.6
84.08138	1.3
86.09707	1.2
86.99113	0.5
87.02687	1.0
88.02205	0.8
91.05518	0.5
93.06995	0.4
94.06570	1.0
95.04950	0.8
95.07330	0.4
98.21501	0.5
105.00084	0.7
107.04945	0.5
109.06527	4.8
110.07150	0.4
111.02682	2.7
120.08095	0.7
120.98232	0.4
123.11747	0.9
128.05309	25.2
129.10240	1.0
133.10069	0.4
144.07991	0.4
147.60693	0.4
151.11185	3.5
154.07387	0.6
157.03215	1.1
159.09145	0.4
166.07387	0.9
174.05856	100.0
204.06813	0.7
211.07559	0.6
212.07806	0.7
272.09976	1.7
272.13187	1.6
272.17059	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51643	1.0
53.03953	1.7
54.99144	1.0
55.05512	13.4
57.07063	2.0
59.05007	1.6
63.65065	0.9
65.03938	1.2
66.20853	0.9
67.05509	8.3
69.07069	3.0
69.31449	6.9
69.31857	1.8
70.06598	2.0
79.05496	3.6
81.07063	22.3
83.04987	97.2
84.08131	1.2
91.05496	6.3
91.58168	1.0
93.07051	2.4
94.04221	1.6
95.04972	7.1
95.08601	3.9
98.21561	2.0
105.07022	8.2
107.04974	1.9
107.08584	2.7
109.06527	100.0
109.10165	5.7
119.06110	2.5
122.02771	2.2
123.08073	3.4
123.11713	25.3
128.05319	1.6
133.10149	8.1
137.05995	1.2
145.14485	1.0
146.06004	1.4
151.11194	68.5
152.03888	1.1
153.06856	1.1
154.07364	1.1
155.05263	2.3
165.07016	1.4
166.07384	4.4
184.08475	2.1
194.87613	1.0
197.05887	1.0
204.06952	1.6
212.07878	2.9
222.06203	1.4
229.08478	1.2
232.80151	0.9
268.92935	1.1
272.06567	1.7
272.10129	8.8
272.12997	1.8
272.17117	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.6
55.05513	8.8
60.99947	0.2
67.05519	0.3
69.03431	0.6
69.07063	0.3
70.03762	0.3
70.06595	0.5
71.49421	0.3
76.02216	0.5
80.85706	0.2
81.03394	0.2
81.07054	0.2
82.03722	0.3
83.04984	100.0
84.05338	0.4
84.41213	0.2
85.02911	0.4
86.09731	0.3
91.05489	0.3
95.05010	0.3
97.59983	0.2
99.04471	0.5
100.04777	0.4
107.08598	0.4
109.02892	0.7
109.06534	0.6
109.10194	0.3
110.03204	0.5
122.02740	1.1
127.03952	0.8
128.04263	0.7
129.52977	0.2
139.29041	0.2
147.30315	0.3
151.11191	2.6
153.07027	0.3
166.07333	0.7
174.05869	1.2
174.18205	0.3
204.06963	1.1
205.84283	0.3
210.56491	0.3
224.97820	0.3
272.06363	0.6
272.10159	0.6
272.13190	1.8
272.17554	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2422
Annotation	Axerophthene
Peak:m/z	Relative Intensity
55.05499	9.5
57.07063	4.2
57.33615	1.9
58.89818	2.2
64.84597	1.7
67.05511	14.2
69.07071	26.0
71.08628	3.9
71.48566	2.0
71.48988	2.4
78.14929	1.9
79.05496	12.0
81.03385	2.7
81.07065	38.7
83.08615	7.8
85.10153	2.0
91.05479	9.2
93.07054	18.4
95.01296	3.0
95.08613	44.0
97.10165	3.9
105.07030	22.6
107.08591	27.9
109.10168	24.9
111.11726	2.3
117.07008	5.7
119.08585	29.6
121.10163	20.9
123.11704	8.3
131.08560	13.3
133.10150	14.1
135.11688	11.1
137.13278	3.8
145.10130	19.0
147.11697	23.6
149.13268	6.9
152.61850	2.0
157.10110	3.8
159.11722	18.1
160.12502	5.0
161.13266	29.4
163.14835	8.4
171.11615	2.5
173.13306	20.2
173.43565	2.0
175.14838	12.8
177.16414	6.3
187.14825	12.4
189.16399	6.7
199.11360	2.2
201.16364	12.2
215.14354	2.2
215.17960	13.0
229.19522	3.2
238.97147	2.7
271.06082	4.6
271.10086	3.0
271.13162	11.0
271.16885	2.6
271.21115	3.9
271.24225	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1442
Annotation	(+)-Quinolactacin A2
Peak:m/z	Relative Intensity
55.05510	0.8
57.07072	0.5
66.91982	0.6
67.05483	0.6
69.07059	1.0
69.72757	3.2
79.05491	1.3
79.15310	0.5
81.07051	1.3
89.95483	0.5
91.05483	1.2
93.07061	0.6
95.04890	0.5
95.08607	1.0
96.08126	1.0
100.07708	0.6
105.07059	1.0
106.06533	1.0
107.08574	1.0
108.08096	1.8
109.10169	0.6
117.07034	0.6
118.06522	1.4
119.08608	0.8
120.08081	0.8
121.10144	0.7
122.09686	0.6
124.07587	0.5
128.06219	0.5
133.09993	0.5
142.07843	0.9
144.08133	1.0
145.08810	0.7
146.06023	1.0
148.07469	0.7
154.06520	0.9
156.09239	0.7
157.10158	1.1
158.06049	1.4
158.09541	0.8
159.09163	1.6
162.09137	0.7
165.06934	0.6
166.07744	0.9
168.08089	7.3
169.08817	2.7
170.09641	0.9
172.07639	0.6
182.09686	2.9
182.46709	0.6
183.10448	9.6
185.10780	1.0
196.07631	1.2
197.08452	1.3
198.12796	7.0
199.08696	2.9
199.12364	1.2
202.12283	0.6
210.09334	0.7
210.11487	0.9
211.09949	4.0
212.09476	3.2
213.10252	6.0
214.10995	1.2
215.03427	1.1
215.15399	2.2
216.04102	0.5
226.12314	11.0
227.08179	2.4
227.11790	25.1
228.12575	20.7
240.09010	2.3
241.09721	2.6
241.13409	0.7
243.14940	14.4
253.13393	1.8
254.11794	1.0
254.24748	0.8
255.11301	54.6
256.12073	59.4
263.99332	0.6
269.12903	2.7
271.06171	2.2
271.09589	2.8
271.14423	100.0
271.24234	1.5
272.14777	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.7
54.72918	0.4
55.01864	3.1
55.05495	1.3
56.05008	0.7
57.03436	2.5
57.07048	1.1
64.95947	0.5
65.03941	2.5
67.05460	1.6
68.99786	3.5
69.03394	1.8
69.07038	1.5
70.06595	8.9
71.04980	0.5
71.48418	0.8
72.08152	8.7
73.02921	29.3
75.04484	2.7
79.05475	1.3
81.03387	0.9
81.07027	0.9
83.04958	1.0
84.04514	0.7
84.08149	3.1
85.02903	1.3
86.06042	0.5
86.09690	3.3
86.35545	0.5
86.80865	0.5
91.03922	0.8
91.05482	2.8
91.57808	0.6
93.03394	3.6
93.07027	0.7
95.04946	2.2
95.08605	0.6
97.02892	0.9
99.04475	0.6
103.05444	1.2
105.07017	1.2
107.04935	1.7
108.02088	1.0
108.81841	0.5
109.02876	1.4
109.06451	0.7
109.10152	0.7
110.03660	5.8
110.07117	1.4
111.04440	3.7
114.05517	0.6
116.07115	3.4
118.06532	1.0
119.04948	2.2
119.08585	0.7
121.06485	1.5
123.04432	1.6
125.05996	40.0
127.03976	1.3
129.06973	1.2
129.10246	1.2
131.04939	1.2
135.04417	0.5
135.08040	0.7
136.07591	0.8
137.05977	2.6
141.05458	1.3
141.06973	2.1
141.67212	0.5
143.07199	0.5
144.95818	0.7
145.06519	0.7
146.05997	0.7
147.04433	1.4
147.06520	4.1
149.05954	3.8
151.03914	100.0
151.04994	7.5
151.07458	4.3
153.06953	1.3
155.04994	1.3
157.06480	1.1
162.33141	0.6
163.03957	1.2
163.07576	2.2
165.07030	2.2
167.07014	0.8
169.06439	1.2
173.06021	2.6
179.07053	19.9
181.06618	0.9
181.08575	1.1
183.04503	0.8
183.08067	1.5
185.05959	1.0
187.03925	1.0
197.06149	2.2
197.08092	19.2
199.09758	0.7
201.05510	2.7
203.07063	1.3
208.35628	0.5
211.07664	2.1
215.07108	1.2
221.06085	0.7
225.05524	1.8
225.07677	3.6
229.05017	3.0
239.07164	0.5
243.06718	2.3
247.99429	1.1
248.99451	0.6
253.04973	0.8
253.10838	3.4
253.13304	1.0
271.06030	14.0
271.11899	19.7
271.26245	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0968
Annotation	Alloimperatorin
Peak:m/z	Relative Intensity
55.05503	0.8
67.79030	0.9
71.48892	1.3
72.52282	0.7
79.05479	0.9
81.07062	2.6
83.65247	0.7
91.05486	1.6
93.07067	0.8
95.08624	1.3
98.90467	0.9
105.07056	1.5
107.21053	0.8
113.15508	1.0
121.10180	1.2
125.11412	0.8
129.07036	1.4
129.14494	0.8
131.04939	7.4
131.08559	1.1
132.05724	1.8
133.57259	0.8
144.05669	1.0
147.04474	5.7
153.07036	2.0
155.08543	1.8
159.04416	10.3
159.07983	0.9
160.05200	6.0
161.13298	1.1
165.07016	1.2
169.06511	1.3
171.04416	2.9
172.05171	1.0
175.03891	1.3
175.52226	0.9
181.06496	1.9
182.07294	0.9
183.08073	2.9
185.05977	1.4
186.03087	2.3
187.03912	16.3
188.04723	2.7
191.03426	2.5
195.04469	2.3
197.05959	1.6
201.05429	4.9
203.03432	1.2
208.25148	0.8
209.05989	2.0
210.06773	3.1
211.07564	4.1
212.02409	2.5
213.05466	2.1
215.03401	45.9
216.04185	39.6
217.04875	1.3
227.10750	1.0
229.04993	13.2
232.91997	0.9
237.05440	1.4
240.05476	2.2
241.04932	2.0
243.06543	2.0
256.07318	21.2
268.08624	2.0
271.06512	3.5
271.09656	100.0
271.24167	2.3
272.10001	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0965
Annotation	Imperatorin
Peak:m/z	Relative Intensity
53.00293	0.2
55.05518	0.2
55.08664	0.2
67.05499	0.5
69.07069	6.9
69.83354	0.7
81.07041	0.2
91.05482	3.2
98.21433	0.2
103.05460	1.4
104.10734	0.6
119.04942	1.6
119.08554	0.2
123.06022	0.2
130.74236	0.2
131.03932	0.3
131.04932	8.7
147.04413	22.2
148.04720	0.3
149.54910	0.7
150.05035	0.2
159.04416	9.1
174.03169	0.3
175.03926	2.6
187.03946	0.3
191.03444	0.2
202.02617	1.1
203.03397	100.0
204.03685	1.4
215.03337	0.8
216.04192	0.9
225.36487	0.2
225.64771	0.2
227.51527	0.2
243.10451	0.2
271.09647	36.3
272.09982	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0968
Annotation	Alloimperatorin
Peak:m/z	Relative Intensity
50.48705	0.5
69.07069	1.5
69.18623	0.5
69.18916	5.5
75.40611	0.5
91.05475	0.6
95.75185	0.6
95.75832	0.5
95.96764	0.5
103.05483	1.6
108.08078	0.6
115.05459	3.0
117.07025	6.4
121.55452	0.5
128.06229	1.3
129.07030	1.4
131.04945	21.4
135.04434	0.5
145.06499	11.3
147.04384	0.5
155.04924	1.5
157.06442	0.6
159.04436	27.5
173.05994	15.4
177.05437	0.9
185.05963	1.1
187.03934	18.5
197.08376	1.0
201.05492	7.6
203.03398	2.9
211.09903	0.7
213.10213	1.1
214.10971	0.7
215.03410	100.0
216.03761	1.7
226.12207	3.3
227.11847	1.6
228.12512	1.5
229.04982	63.1
230.05370	1.3
243.14844	1.3
255.11343	1.1
256.11987	1.0
271.06796	0.5
271.09680	14.3
271.14319	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	271.0966
Annotation	Isoimperatorin
Peak:m/z	Relative Intensity
53.03952	0.7
55.05512	1.3
67.05517	1.9
69.03421	1.2
69.07072	7.2
69.88303	3.2
70.06598	0.8
74.52525	0.6
79.05497	5.7
81.03419	0.9
81.07081	3.2
82.26024	0.5
83.04996	1.2
89.03957	0.5
91.05485	6.2
93.07053	3.6
95.08627	3.6
103.05474	2.1
105.07047	3.1
107.04997	1.2
107.08610	3.0
109.02913	1.2
109.06475	1.2
109.10199	1.4
111.38722	0.6
115.05461	0.7
116.13368	0.6
117.07027	1.9
119.04961	2.3
119.08589	2.8
121.06507	5.6
121.10169	1.8
123.04443	1.1
123.11693	1.1
128.06258	0.9
129.07040	0.9
131.04938	11.4
131.08557	1.3
133.10170	1.4
135.04401	1.0
141.07005	1.4
143.08572	0.9
145.06516	1.8
145.10149	4.6
147.04427	20.6
147.11729	0.8
149.02336	3.0
150.03113	3.6
151.03964	0.8
153.07008	1.3
154.07849	0.7
155.08546	4.4
158.07343	0.7
159.04427	9.4
159.07996	1.5
159.11700	2.3
160.05240	0.7
161.13239	0.9
163.03888	2.8
165.07050	2.5
168.05731	0.7
169.06525	0.7
171.11707	0.7
173.06049	1.5
173.09644	3.6
173.13284	2.1
174.03044	0.8
175.03986	3.0
183.08055	4.2
187.03896	4.6
187.07603	0.7
187.14815	1.6
189.05432	0.7
201.05492	2.4
201.09082	6.0
201.16341	1.7
202.02634	1.0
203.03410	100.0
204.03714	1.4
211.07549	2.1
213.05539	0.8
215.01483	1.0
215.03403	10.9
215.18010	1.3
216.04153	2.5
225.09138	1.1
229.05226	4.6
229.08603	32.7
239.06966	0.7
243.10188	2.3
253.08643	0.8
271.06482	1.9
271.09653	50.7
271.24173	9.0
272.09933	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0966
Annotation	Alloimperatorin
Peak:m/z	Relative Intensity
50.23301	0.3
55.05510	0.4
57.20333	0.3
59.31681	0.3
69.07067	0.6
69.25204	1.2
69.25639	1.9
77.53638	0.3
81.07050	1.0
86.57751	0.3
88.56143	0.3
91.05490	1.2
93.07058	0.7
93.56290	0.4
95.08571	0.7
97.06490	0.5
98.21555	0.8
103.05472	0.9
104.06271	0.6
105.07038	0.6
115.05499	0.6
131.04935	8.4
132.05728	2.0
144.05728	0.8
145.06529	0.4
146.03639	0.4
147.04411	4.6
147.11673	0.4
155.08549	0.5
159.03098	0.6
159.04410	10.1
159.11696	0.8
160.05208	11.8
161.13260	0.4
163.03900	1.1
165.06966	0.6
171.04419	5.0
172.05208	2.2
173.02487	0.4
175.03889	1.7
183.08005	0.5
185.05969	0.5
187.03902	18.8
188.04701	5.4
191.03413	2.2
203.03400	0.7
214.99077	0.5
215.03401	54.2
216.04187	79.0
216.62930	0.4
217.04482	1.1
227.10686	1.6
271.09659	100.0
271.24142	1.7
272.09940	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02779	1.4
52.96376	1.5
53.03955	16.9
54.10900	1.4
55.01877	2.0
55.05515	4.2
55.82628	1.8
57.03436	2.6
60.46711	1.5
67.05481	1.7
69.03433	52.0
70.82248	2.3
70.82607	3.2
71.01350	1.4
71.05004	10.1
73.02554	2.7
73.02919	22.2
79.05487	2.8
81.03427	41.7
81.07050	2.5
83.04978	10.6
85.02913	29.6
85.33369	1.4
87.04469	4.9
91.05478	6.1
95.04974	3.1
95.08571	1.9
97.02905	25.9
99.04463	68.1
103.03947	6.3
105.07040	2.9
105.65867	1.4
109.02889	80.1
111.65686	1.5
114.95415	1.5
119.04913	2.0
119.08572	1.9
127.03928	100.0
141.06969	5.0
143.08571	2.1
145.04997	5.5
152.06226	1.6
153.01807	1.8
153.07019	6.9
155.08499	4.1
165.07027	16.1
168.05736	2.3
169.04942	2.0
181.06429	3.8
183.08078	5.7
193.06473	3.2
196.05263	3.0
211.07622	8.5
211.11186	2.0
212.08308	2.5
221.05962	2.5
253.07072	2.8
271.05606	9.2
271.08212	6.7
271.09833	6.2
271.14243	3.1
271.17004	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	271.0603
Annotation	Apigenin
Peak:m/z	Relative Intensity
53.03933	0.2
55.01852	0.3
55.05499	0.8
56.96542	0.2
57.07063	0.3
62.54322	0.2
65.03926	0.4
67.01868	1.1
67.05495	0.9
67.98156	0.2
68.99800	1.9
69.07076	1.0
69.50979	1.5
79.05481	0.7
81.03394	0.3
81.07058	1.9
83.08624	0.4
91.05488	4.8
93.07042	1.1
95.04964	0.3
95.08613	1.8
97.02905	0.3
98.20850	0.3
98.97568	0.2
103.05463	0.2
105.07023	1.3
107.04950	0.5
107.08584	1.1
109.10187	1.2
115.05420	0.3
117.07020	0.5
119.04946	4.4
119.08596	1.8
121.02879	1.8
121.10124	0.7
123.04502	0.2
123.11703	0.6
127.03950	0.2
128.06192	0.2
129.01814	0.2
129.07011	0.6
130.07887	0.2
131.04942	0.8
131.08542	0.8
133.06511	0.3
133.10130	1.0
135.11681	0.5
137.06064	0.2
141.06987	1.0
143.08545	0.2
144.05699	0.4
145.02847	1.8
145.06470	0.4
145.10098	0.9
147.04404	0.5
147.11682	0.9
149.02368	1.6
149.13289	0.5
152.06223	0.3
153.01839	11.9
153.07004	0.7
154.07784	0.2
155.08574	0.6
157.06429	0.3
157.10146	0.4
159.04443	0.8
159.08066	2.4
159.11708	1.2
161.09447	0.3
161.13234	0.8
163.03925	0.5
165.01825	0.5
165.07025	1.7
168.05719	0.4
169.06517	1.1
169.10130	0.4
171.02893	0.5
171.04291	0.2
173.05951	0.4
173.13298	0.6
175.14807	0.5
178.02542	0.2
181.06503	0.5
183.04369	0.3
183.08047	0.9
183.10382	0.3
185.06020	0.3
185.09595	0.5
187.03896	0.6
187.07658	0.4
187.14769	0.5
193.06454	0.3
197.05995	1.4
197.13231	0.4
200.04564	0.2
201.05379	0.3
201.16454	0.5
207.04355	0.2
210.07002	0.3
211.07489	1.5
211.14977	0.2
213.05408	0.2
215.03401	0.8
215.07063	3.8
215.17960	0.9
216.04199	0.3
221.05986	0.4
225.05443	0.7
227.06924	0.3
229.05043	0.7
229.19525	0.3
231.48724	0.2
239.07072	0.4
242.05824	0.2
243.06528	3.0
243.14977	0.4
253.05003	1.5
253.15854	0.5
271.06027	100.0
271.09335	4.0
271.24188	3.5
272.06345	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.0462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
54.20163	1.5
54.26330	1.4
55.01867	4.0
55.05513	3.3
56.96573	8.9
57.03432	3.2
58.99869	4.8
60.04510	2.2
68.98291	2.0
69.03433	7.7
70.06595	21.0
70.32593	6.8
70.98109	1.5
70.99860	8.0
72.08168	1.6
73.02924	4.3
77.00926	2.0
81.03413	3.3
82.01451	7.6
82.99842	15.1
84.08146	7.6
85.01418	3.3
85.02908	6.2
86.09706	5.9
86.99355	2.2
89.00908	2.2
94.99850	3.9
97.01403	11.0
97.02894	7.3
98.97592	16.7
100.02486	8.8
101.00888	100.0
102.01006	3.0
103.00648	1.6
103.02448	4.8
107.04977	2.1
109.02907	2.0
110.07172	12.7
110.99295	2.7
112.08739	3.9
113.00873	37.0
114.04018	3.1
115.02441	62.9
115.08695	1.9
116.98643	4.9
117.04010	4.4
119.01929	79.5
124.02503	8.6
125.00835	1.8
126.98804	3.0
127.02496	2.4
127.03922	2.9
129.00343	6.9
129.03952	14.4
131.01920	51.4
132.05089	2.0
133.03482	69.0
136.02429	9.7
137.02931	6.3
137.34738	1.7
138.04039	4.2
138.05539	19.3
141.00343	4.4
142.01050	2.2
142.03496	10.6
143.01904	28.9
144.99818	5.8
145.03484	18.0
147.01364	11.0
147.05034	10.6
149.02983	4.8
151.04520	4.8
152.01949	4.8
154.03496	50.3
155.01973	3.9
156.05083	4.1
157.03506	4.3
157.10829	2.2
159.01404	16.9
161.02975	23.8
163.03880	4.5
164.01935	4.0
166.76755	1.7
167.05553	3.6
168.01428	2.5
168.99840	38.5
170.03050	14.3
171.01414	7.6
172.04590	5.4
172.08183	2.1
173.02982	30.7
174.97621	2.6
175.00864	9.3
175.04520	5.3
177.02519	6.1
179.55324	2.4
182.02991	18.0
184.04550	2.7
187.00887	43.1
187.02608	2.1
187.04445	2.4
189.02435	8.0
191.04022	14.2
193.02025	2.1
196.04202	2.5
196.99303	7.2
198.02541	6.7
199.00916	19.9
200.04066	7.1
201.02461	19.4
203.03999	5.2
205.01958	3.0
210.02518	2.1
212.04050	5.9
215.00372	19.4
216.98782	2.4
217.01952	24.2
219.01634	2.4
219.03522	23.1
221.03096	3.1
228.01619	2.9
228.03600	6.3
229.01936	7.4
232.06667	2.3
233.01611	1.8
240.03654	5.6
242.19809	6.4
247.03055	11.8
254.17583	1.8
265.04428	10.1
270.04645	4.7
270.08340	2.2
270.14471	5.0
270.19009	2.5
288.05508	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	269.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.1
55.01848	3.1
55.05515	22.3
57.03441	29.7
57.07074	5.4
59.04995	1.2
65.03931	2.4
67.05490	72.1
69.03426	1.8
69.07073	35.5
70.06580	1.2
71.05000	6.6
71.08622	2.0
73.02882	1.0
75.03378	0.9
76.45660	1.0
77.03919	1.0
79.05499	44.3
81.03406	2.6
81.07062	100.0
83.04984	9.8
83.08154	1.3
83.08624	17.7
84.08109	1.3
85.02857	1.3
85.06552	5.2
91.05483	27.8
93.07050	68.7
95.04968	5.8
95.08610	37.6
97.06533	14.4
97.10164	3.3
98.20704	1.9
99.08071	3.1
101.53634	0.9
105.07037	23.8
107.08602	44.6
108.46422	0.8
109.06504	3.8
109.10166	15.5
109.13545	0.8
109.18542	0.9
111.08089	9.0
111.11724	2.0
113.06000	1.1
113.09631	1.9
115.05465	2.2
117.07018	9.9
119.08593	15.5
121.06493	1.3
121.10157	28.3
123.08136	1.1
123.11722	8.0
125.06007	1.1
125.09608	2.6
128.06216	2.1
129.07027	3.9
131.08582	17.4
133.09149	1.4
133.10136	18.3
135.08052	2.4
135.11700	11.8
137.05898	0.9
139.07526	1.5
139.11226	2.3
141.06999	1.2
142.07820	4.9
143.08569	11.9
144.09300	2.4
145.10139	16.6
147.11687	9.7
149.09673	1.5
149.13271	47.1
151.11079	1.2
153.07063	1.0
155.08545	1.9
156.09341	3.8
157.10141	18.0
158.10913	1.0
159.08110	1.3
159.11703	31.0
161.13283	7.5
163.03802	1.1
163.14853	1.3
167.14293	1.6
169.10153	1.4
170.10851	1.7
171.04439	2.3
171.11690	15.7
173.13266	13.1
175.14818	4.7
177.12766	7.7
181.06445	1.3
181.10133	1.4
183.11684	1.5
185.09650	1.2
185.13261	13.8
187.14816	5.7
189.16354	1.4
195.07974	1.3
195.13817	11.3
197.13287	1.5
197.82025	1.0
198.13924	1.1
199.14835	13.8
200.15614	1.5
201.16379	2.4
211.14885	1.9
213.05527	1.4
213.09096	1.9
213.16415	20.9
214.17137	1.3
223.07545	1.1
223.78592	0.7
226.06314	1.4
226.17125	1.4
227.17970	6.3
241.08534	3.1
241.19565	1.8
251.09105	1.1
263.96130	0.8
269.05075	1.8
269.08102	11.4
269.11380	1.9
269.17542	32.1
269.22638	86.1
270.22931	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03938	5.6
55.01871	3.5
55.05514	20.1
57.03440	36.6
57.07077	4.5
65.03936	2.1
67.05509	74.3
69.06734	2.7
69.07075	30.2
71.04987	6.4
71.08630	1.4
71.49046	2.5
72.08138	1.4
79.05501	42.0
81.07063	100.0
83.04987	10.2
83.08168	1.6
83.08628	18.0
83.09076	2.2
85.06546	4.6
91.05491	24.6
93.07053	68.2
95.04974	7.3
95.08610	25.2
97.06544	16.0
97.10136	2.2
99.08089	2.9
100.11284	2.4
105.07027	8.3
107.08600	38.7
109.06522	3.1
109.10140	4.5
111.08085	11.5
113.09665	2.0
117.07035	7.9
119.08592	4.3
121.06469	2.9
121.10146	24.7
121.10934	2.1
123.11726	2.2
131.08557	8.7
133.10176	6.9
135.11679	9.8
139.00237	1.5
139.11147	3.3
147.11725	1.7
149.13275	50.5
157.10039	1.8
159.11716	17.4
177.12796	10.7
195.13814	12.5
269.08218	2.8
269.14993	4.5
269.17459	37.5
269.22571	3.3
270.27911	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	269.1021
Annotation	Botryolide C
Peak:m/z	Relative Intensity
53.03939	1.8
55.01872	5.0
55.05503	2.7
56.87531	0.8
57.03448	6.4
65.03927	1.2
67.05496	6.6
68.99785	1.4
69.03437	9.5
69.07051	2.9
70.06582	3.6
70.86956	2.2
71.01358	1.3
71.04993	1.7
72.08169	1.4
73.02908	1.7
79.05496	11.9
81.03418	2.4
81.07056	8.4
83.01326	1.2
83.04967	2.8
84.04501	1.5
84.08147	3.3
84.84157	0.9
85.02889	1.8
85.06559	2.6
86.09696	3.8
91.05476	16.2
93.03395	1.7
93.07037	7.3
93.09123	0.9
95.01331	2.8
95.04950	5.3
95.08591	2.3
97.02932	1.0
97.06549	2.3
99.04460	2.0
99.08096	1.7
103.05466	3.9
105.07040	8.0
107.04972	7.5
107.08578	4.9
109.06518	9.5
109.10177	1.3
110.07159	3.7
111.08105	1.8
115.05473	6.3
117.06349	1.2
117.07036	13.3
119.04922	3.7
119.08563	3.3
120.08079	1.6
121.02890	2.3
121.06528	5.7
121.10149	1.5
123.00830	5.3
123.01575	1.2
123.04425	2.7
123.08061	1.6
125.05979	1.2
125.09641	14.9
127.07467	0.9
129.06975	1.3
129.10271	1.0
131.04959	6.2
131.08565	1.5
133.02824	1.0
133.06465	5.0
133.10164	1.1
135.04402	5.6
135.08070	5.5
136.07579	3.5
137.05956	11.5
139.07526	1.6
139.69577	0.9
141.01862	2.1
143.08571	1.3
145.06485	12.2
145.10136	1.5
147.04396	3.3
147.08083	4.3
148.05165	1.1
148.50229	0.9
149.05992	6.2
149.09573	1.4
151.07588	2.2
153.05467	2.2
155.11824	1.0
156.07657	1.6
157.06494	1.1
159.04417	2.8
161.06004	3.6
161.09604	1.1
163.03883	2.8
163.07556	28.6
165.05508	8.6
167.07047	1.2
167.08507	1.0
167.10690	1.2
173.05975	9.8
173.13263	1.4
175.07506	1.7
177.05478	15.1
179.06969	3.1
183.06531	2.6
189.05516	1.2
191.07036	64.9
193.08566	1.5
199.02377	1.1
201.05466	8.1
205.08632	1.4
209.08064	8.1
219.06537	54.1
223.07690	1.4
223.09727	2.1
227.07196	1.1
233.15309	1.5
237.07567	18.9
237.09703	1.8
241.08795	0.9
251.09157	100.0
252.09506	0.9
255.08560	1.1
269.07758	1.9
269.10452	8.5
269.15137	1.6
270.08743	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.1
55.01876	8.8
55.05510	4.6
56.05037	3.0
57.03207	1.6
57.03443	14.4
59.05008	1.9
65.03919	2.3
67.05498	8.0
68.99792	2.6
69.03433	11.2
69.07071	9.8
70.06601	16.6
71.04996	3.5
72.08150	3.3
73.02917	1.8
76.32751	2.1
76.71109	1.6
79.05501	19.9
81.03389	4.6
81.07061	14.0
83.04991	3.5
84.04530	2.8
84.08152	19.3
85.02904	3.2
86.09715	22.4
87.04497	2.2
88.03973	3.5
91.05485	30.9
92.63030	1.6
93.03385	4.0
93.07053	15.4
95.01329	3.8
95.04974	9.9
95.08607	5.1
97.06524	4.8
99.04466	5.9
103.05472	8.0
105.03397	3.6
105.07043	17.7
107.04972	21.3
107.08587	6.8
109.06512	15.3
109.10167	2.4
110.07201	12.0
111.04419	2.2
111.08138	2.0
115.03957	1.8
115.05476	12.7
117.07030	20.6
119.04947	7.6
119.08582	7.8
120.08137	9.1
121.02882	2.8
121.06517	10.0
121.08467	2.3
121.10151	3.7
122.02790	2.6
123.00788	7.2
123.04442	6.7
123.08066	5.5
125.05990	5.1
125.09646	17.6
127.07586	2.1
129.07001	3.8
129.10271	6.6
130.04933	2.0
131.04944	19.6
131.08542	2.4
133.02876	5.1
133.06490	5.0
133.10121	2.6
135.04414	16.2
135.08080	10.3
136.07608	8.9
137.05968	15.7
139.07619	2.0
145.02852	4.2
145.06503	28.8
146.07150	1.9
147.04419	6.6
147.08046	8.5
148.05165	2.2
149.05978	10.9
149.09674	3.1
151.07526	3.5
153.02391	2.8
153.05455	3.4
156.07693	4.8
159.04407	10.4
161.06003	3.3
163.03923	4.1
163.07559	39.6
165.05482	14.1
165.09135	3.1
167.08583	3.0
173.05997	24.5
174.06743	3.3
175.03903	2.8
175.07567	3.2
177.05473	22.8
177.06912	3.5
177.08905	2.0
179.07047	2.1
181.06520	2.2
183.06493	2.0
187.11404	1.6
189.05490	3.9
191.07048	79.9
195.06471	2.5
195.08101	4.8
201.05482	13.2
205.08585	7.3
209.06267	2.8
209.08109	18.5
213.05556	4.3
219.06538	57.3
223.07536	6.1
223.09634	3.9
233.08064	2.3
233.15453	3.2
237.07568	35.8
237.09930	2.0
251.07193	3.6
251.09167	100.0
255.08664	8.0
269.04703	3.8
269.08044	9.3
269.10266	13.8
269.12854	4.8
269.15338	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	268.1042
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01880	0.3
57.03424	0.5
70.47592	0.4
73.02903	0.3
94.04062	0.4
115.03952	0.2
116.37248	0.2
119.03535	0.8
120.08170	0.3
121.06518	0.5
121.08439	0.2
136.06198	100.0
137.04576	0.3
137.06561	0.2
168.03392	0.2
194.23570	0.2
268.10434	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	267.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	5.1
70.06605	0.9
70.65179	1.1
70.65540	0.9
72.08160	45.7
73.06586	0.5
80.56703	0.6
83.61681	0.6
84.04502	1.9
86.09711	100.0
95.05004	0.9
96.13625	0.6
103.12349	22.0
114.09174	2.7
123.04435	60.0
126.09151	6.5
137.05994	2.3
164.07071	1.8
165.05482	7.1
218.11761	6.3
236.12822	17.5
249.15985	8.8
267.17050	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.5
55.01864	5.9
55.05515	33.0
57.03439	3.1
57.07086	6.8
65.03918	2.1
67.05508	38.1
69.03431	10.9
69.07066	20.3
70.06581	2.3
71.04978	6.1
71.08614	2.2
71.48929	2.3
79.05070	1.6
79.05499	17.5
81.03391	3.9
81.07060	71.4
83.05016	6.9
83.08623	14.2
84.08126	3.2
85.02903	1.9
85.06549	16.5
86.09695	1.6
87.04470	3.3
91.05482	21.2
93.06489	2.3
93.07047	36.3
94.07392	1.4
95.04965	5.3
95.08612	58.4
97.06512	4.8
97.10167	7.0
98.06052	3.6
98.97540	3.2
99.04451	2.9
99.08090	8.7
100.11269	30.3
101.06001	2.9
105.07037	31.1
107.04879	2.1
107.08598	33.6
109.06519	3.9
109.10161	34.3
111.08086	10.3
111.11748	1.9
113.09644	4.5
117.07001	5.1
117.13895	4.7
119.08588	34.3
120.08114	2.6
121.10148	27.1
123.04430	1.8
123.08060	5.2
123.11722	19.3
125.05948	1.4
125.09638	12.0
126.09179	2.0
128.06255	2.7
129.07021	3.9
130.07745	2.0
131.08571	11.8
133.10132	24.4
134.98988	1.6
135.08034	3.1
135.11703	15.8
137.09584	1.9
137.13220	6.3
139.11180	5.6
141.06978	2.3
141.09041	1.6
142.07770	3.1
143.08563	11.8
144.09306	1.8
145.10146	14.6
147.08067	2.2
147.11679	24.2
149.09619	2.8
149.13277	11.1
151.11182	4.2
151.14757	1.7
153.39006	1.4
154.50609	1.5
155.08546	11.3
156.09328	3.9
157.10143	13.9
159.11700	14.2
161.09669	1.7
161.13280	11.7
163.11157	1.6
163.14819	3.0
165.12747	5.2
165.16389	2.3
167.08501	3.2
167.10767	1.5
168.09387	2.8
168.13829	5.8
169.10139	18.7
170.10870	2.0
171.11652	12.3
173.13249	8.9
175.14795	12.5
178.07738	3.0
179.08565	1.6
179.14333	2.5
181.06342	1.8
181.10091	4.5
182.10931	5.1
182.15388	4.3
183.11708	16.2
185.13353	7.7
185.15085	1.9
185.16475	14.2
187.14801	2.9
189.16399	6.9
191.17909	6.2
193.12206	1.6
195.11691	2.7
196.12410	2.2
197.13264	16.3
199.14874	2.7
199.18051	4.8
207.08130	2.4
207.10178	1.8
207.17415	4.0
209.07906	1.8
209.11694	4.6
209.13428	2.5
211.14824	24.3
212.15459	2.3
224.08397	2.1
225.16411	10.6
231.21124	18.2
236.59892	1.4
238.17319	1.7
239.18027	3.3
249.14827	1.9
249.18646	2.6
249.22102	7.2
250.14409	1.7
252.07700	2.4
252.18739	1.4
267.06433	3.5
267.10022	6.4
267.12189	5.7
267.15927	14.9
267.21008	100.0
267.23102	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	267.1591
Annotation	Rugosal A
Peak:m/z	Relative Intensity
53.03933	1.6
55.01876	4.9
55.05516	12.9
57.03437	5.8
57.07073	1.1
60.76063	0.8
61.86560	0.9
63.05620	0.9
65.03930	2.5
67.05508	40.3
69.03425	1.3
69.07071	14.8
69.28004	2.1
69.28410	6.2
71.04990	3.1
77.33299	0.9
78.24422	0.9
79.05498	21.6
81.03419	6.4
81.07063	96.7
83.04989	7.8
83.08623	8.2
85.02960	0.9
85.06541	4.6
91.05484	29.5
93.07050	14.6
95.04992	4.2
95.08614	25.7
96.87229	0.9
97.06541	6.1
97.10147	1.3
99.08081	4.5
101.06082	1.1
105.07037	34.4
105.53947	1.0
107.08604	10.8
109.06507	3.8
109.10138	2.6
111.08083	2.5
113.06028	1.2
115.46709	0.8
119.08587	28.1
121.10146	19.9
123.08105	4.8
123.11716	21.2
127.07535	2.8
129.06966	3.0
131.08600	1.1
133.10118	3.6
137.09691	1.0
137.13248	2.9
141.09120	1.2
145.10109	2.0
147.11696	52.9
157.10100	1.3
158.94820	0.8
161.13104	0.8
165.12759	22.8
173.73900	0.8
175.11211	2.1
183.13799	1.4
193.12366	2.0
203.29427	0.8
216.23840	1.0
229.14281	1.1
240.66042	0.9
267.15930	100.0
268.16251	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	266.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.4
55.05511	0.9
56.05040	0.3
57.03443	0.4
57.51135	0.3
59.05013	0.9
61.02930	1.7
67.05524	0.6
69.03439	0.9
69.07060	0.3
70.06612	1.5
71.05003	2.9
71.48423	0.4
71.86382	0.3
72.08164	0.8
79.05510	0.9
80.05043	0.3
81.03439	0.8
81.07059	3.6
83.03186	0.3
84.04506	0.5
84.08159	0.6
85.02914	0.5
85.06577	0.3
86.09693	1.3
87.04501	0.3
91.05490	0.9
92.04995	0.4
93.07041	0.9
94.04080	1.1
95.08630	0.4
97.02888	0.6
97.93622	0.3
98.06043	0.3
105.07071	0.4
106.06564	0.3
107.08609	0.5
109.02884	0.5
110.07180	0.3
119.03564	2.9
119.08589	0.3
120.08100	0.8
121.10110	0.4
125.09650	0.4
127.03934	0.3
127.71375	0.3
131.79596	0.3
136.06194	100.0
137.04593	1.1
140.07021	0.3
145.02855	0.7
148.04724	0.3
149.05890	0.4
149.09627	0.3
150.07727	0.3
152.07045	1.0
153.12608	0.3
162.05481	0.4
174.71329	0.3
176.04335	0.3
177.05476	1.6
178.04933	0.8
178.06125	0.3
204.13873	0.7
206.08014	0.3
220.09709	0.6
230.08850	0.8
234.13509	19.3
248.09178	1.1
248.12840	0.5
263.23520	0.3
266.16080	45.1
267.09967	0.3
267.16104	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1229
Annotation	Pterosin U
Peak:m/z	Relative Intensity
54.24274	2.4
55.01876	28.4
55.05508	15.1
56.05033	3.6
57.03438	6.3
57.07067	2.4
65.03949	2.7
67.05509	19.0
68.99789	3.1
69.03433	25.1
69.07072	6.1
70.06584	10.4
71.04986	7.8
72.08140	3.9
74.06094	15.6
77.10772	2.2
79.05499	15.0
81.03419	4.8
81.07058	20.3
83.04968	9.0
84.08145	5.4
85.02940	2.3
85.06534	9.1
86.09699	8.8
86.90601	2.4
91.05485	25.4
93.07063	17.7
95.04951	9.1
95.08622	17.7
97.02898	3.3
97.06519	7.8
97.10158	2.3
99.04453	11.2
101.06001	4.6
105.07030	15.8
107.04950	4.7
107.08585	13.0
109.02892	3.0
109.06549	6.3
109.10141	8.2
111.08038	6.2
115.05488	2.8
117.07011	5.0
119.04951	2.8
119.08591	13.6
119.84702	2.5
120.08130	15.7
121.06516	5.5
121.10166	9.8
123.04420	7.0
123.08064	9.3
125.05962	3.4
125.09626	34.5
126.05421	3.2
127.07514	2.9
129.07004	3.9
131.04962	4.4
131.08595	7.9
133.06509	17.5
133.10136	11.2
135.08041	3.5
135.11732	4.9
137.05966	5.4
137.09590	7.2
138.02158	2.7
139.11185	4.2
143.08572	9.4
145.10115	5.8
147.04428	32.7
147.08014	5.4
147.11671	5.6
149.06009	30.2
149.09618	5.2
151.03915	2.9
157.10152	3.9
161.05971	26.7
161.09612	12.7
161.13173	3.9
163.11069	2.7
165.05504	3.0
165.06908	2.6
165.09103	4.9
166.08638	6.8
167.07016	5.3
167.10678	6.5
171.08040	15.1
171.11653	3.0
173.09645	2.8
174.06735	4.4
175.11119	4.0
177.05486	30.5
177.09045	3.5
185.09636	3.9
185.13211	3.1
189.03755	2.7
189.05499	53.4
189.09125	100.0
193.12183	2.9
195.06555	16.2
203.10664	26.2
203.14272	3.8
207.10184	33.4
221.06073	3.4
231.10179	67.6
231.13777	7.1
239.07085	3.5
249.11208	61.7
249.14818	8.1
249.18437	5.0
267.06506	5.9
267.10709	5.6
267.13651	4.3
267.16077	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0362
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68787	0.1
56.13469	0.1
70.67807	0.3
79.50166	0.1
82.99825	1.1
95.87160	0.1
98.97819	0.2
99.39005	0.1
101.00887	6.8
116.98866	0.5
119.01924	6.5
122.97802	0.3
134.99852	0.5
137.02953	0.7
140.98819	2.3
157.61304	0.2
158.99893	6.0
165.99677	0.2
175.03102	0.2
177.00955	14.6
178.01044	0.3
182.99835	1.4
199.03069	0.6
201.00935	4.4
217.04105	2.5
219.02007	21.0
219.94530	0.3
220.02104	0.8
225.00822	2.5
225.02740	0.2
234.00748	0.4
242.96494	0.3
243.02003	15.9
244.02260	0.5
254.85559	0.2
261.03061	100.0
262.03162	2.2
263.03461	0.4
266.00467	0.2
266.03387	0.3
284.04590	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0363
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96551	1.6
57.03424	1.5
59.56641	0.5
60.04531	0.6
61.02935	0.5
69.03437	2.2
70.06598	2.7
71.47808	0.5
71.92603	0.5
72.08140	1.4
72.99645	0.6
73.02901	1.9
81.03402	1.1
81.95765	0.4
82.99862	1.4
83.06069	0.5
84.04498	0.9
84.08146	3.5
85.02910	3.8
86.09692	2.1
87.04485	0.6
95.06114	0.5
97.02911	2.9
97.69039	0.5
98.97579	2.5
99.04427	0.7
100.00072	0.6
101.00886	9.0
102.00989	0.9
103.00654	2.9
104.00961	1.0
104.10728	0.6
107.04941	0.8
109.02848	0.7
110.01330	0.5
110.07169	1.7
110.97561	0.8
111.04437	1.0
113.00864	1.0
115.02435	0.6
116.07060	0.5
116.98608	0.8
119.01926	11.9
120.02032	1.0
121.01660	1.4
121.06501	0.7
122.07144	1.5
123.07484	1.3
125.03437	0.5
127.03933	1.2
128.98566	0.5
131.01875	0.9
132.01939	0.5
133.01640	0.5
134.02078	0.6
134.99835	0.7
137.02899	0.9
140.98799	2.7
143.01932	1.3
144.02011	0.8
145.01653	2.2
145.03494	0.6
145.05055	0.7
146.02055	2.3
147.03191	0.7
150.05502	0.6
156.05026	0.5
157.03401	0.6
158.02225	0.6
158.03670	0.5
158.99893	6.0
160.03555	0.7
161.03043	0.9
161.04468	0.7
162.03062	1.0
163.02699	3.4
164.00412	1.0
164.03053	3.4
173.02994	0.7
175.02855	0.8
176.03328	1.7
177.00969	17.4
182.99850	1.4
183.04843	0.4
185.04068	0.6
189.00772	1.0
193.03784	0.5
194.04193	0.9
199.04597	0.6
201.00940	4.3
201.02464	0.7
203.04054	0.7
205.03714	0.6
206.01459	0.5
206.04240	1.7
207.01831	0.8
217.04068	3.6
219.02013	22.8
220.10779	1.1
224.02583	0.6
225.01021	2.0
242.96124	0.5
243.01958	15.3
261.03079	100.0
262.03168	2.8
266.03540	1.6
266.06375	4.6
266.16357	0.5
266.19455	1.6
284.04657	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2527
Annotation	Linolenyl alcohol
Peak:m/z	Relative Intensity
52.72983	1.6
53.03935	3.3
55.01870	2.3
55.05515	64.6
57.03435	3.6
57.07080	29.3
65.03937	2.2
67.05510	66.9
67.89584	1.3
69.07073	91.2
70.06593	1.7
70.73463	4.4
71.04980	4.6
71.08637	15.3
79.05499	40.3
81.03442	1.9
81.07062	75.4
83.04999	3.3
83.08625	67.1
85.06553	6.7
85.10168	7.3
91.05496	9.4
93.07047	47.4
95.01328	1.8
95.04964	4.4
95.08611	74.9
97.06531	23.3
97.10180	41.1
99.08080	5.5
105.07025	3.9
107.04949	5.2
107.08591	26.9
109.10162	39.3
111.08080	13.5
111.11732	13.2
114.97215	1.5
117.07002	3.1
121.10147	59.3
122.07148	3.9
123.11703	12.5
125.09636	4.8
125.13278	2.9
128.51010	1.4
131.08583	1.4
135.11697	50.0
137.13254	5.0
139.11162	4.5
145.10130	2.6
149.13261	18.6
151.14816	8.2
163.03934	3.0
163.11153	1.8
163.14832	9.1
165.16400	6.5
169.15878	1.8
173.09645	3.5
177.05501	1.9
177.12787	1.6
177.16397	3.3
179.17828	2.1
191.17903	2.3
195.11729	1.4
205.19344	1.7
247.24219	41.7
265.14230	17.9
265.25287	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	265.2165
Annotation	Farnesyl acetate
Peak:m/z	Relative Intensity
54.15406	3.9
55.01874	4.9
55.05511	16.9
57.07063	8.0
59.72546	3.7
65.03972	3.7
67.05507	90.7
69.07066	14.0
71.04968	4.4
71.48399	4.5
72.08161	5.2
79.05495	19.6
81.03398	4.6
81.07058	100.0
83.08618	5.9
83.39346	3.8
85.06568	7.2
91.05476	10.5
93.07033	19.0
95.04977	8.3
95.08612	89.3
97.06549	5.7
105.07028	7.8
107.08572	8.6
109.06519	4.6
109.10158	66.8
111.08110	4.5
119.08571	7.6
121.06521	5.0
121.10182	9.9
122.07144	15.8
123.11707	27.8
133.10152	5.6
135.11742	5.4
137.09592	11.9
137.13271	5.5
144.99451	3.8
145.10153	4.0
149.13268	4.7
159.11751	5.0
163.03894	11.4
163.11214	5.9
165.12752	3.7
173.13249	3.4
177.05403	4.7
247.17068	5.2
247.20613	5.0
265.15515	4.7
265.18073	15.3
265.21628	62.8
265.24881	3.6
265.25751	4.0
275.16476	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	265.1548
Annotation	Feruloylputrescine
Peak:m/z	Relative Intensity
55.05508	0.7
63.02359	0.4
65.33302	0.3
70.99937	0.7
72.08163	10.9
86.09713	0.4
89.03915	4.4
89.10805	5.3
91.05482	0.6
93.77454	0.3
98.06075	0.5
103.05512	0.5
109.05585	0.3
113.44907	0.4
115.08708	1.0
117.03388	19.1
120.08140	0.6
123.07841	0.3
134.03650	1.2
135.04436	0.5
145.02858	56.6
149.06000	7.4
163.03893	0.4
166.08601	0.5
177.05482	100.0
178.05882	0.6
178.95438	0.4
222.24255	0.4
235.51695	0.4
248.12856	6.7
265.15497	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	265.1913
Annotation	N-Hydroxynitraramine
Peak:m/z	Relative Intensity
52.56263	0.6
55.05502	1.1
56.96565	1.0
58.06588	2.0
59.60351	0.5
67.05495	0.6
69.03412	1.8
70.06601	3.2
71.39508	0.7
72.08160	29.7
73.14574	0.6
75.27670	0.6
75.71509	0.5
77.03909	0.5
79.05485	0.8
81.03418	0.7
81.04522	1.1
84.04485	0.7
84.08138	2.1
85.02897	0.8
86.09715	7.1
89.03922	3.9
89.10789	6.6
91.05500	0.7
93.07043	0.8
97.02898	0.8
97.06559	0.6
98.06038	1.0
98.09694	1.0
98.97551	0.7
100.11262	32.8
102.47777	0.5
103.05463	0.8
103.12325	1.8
105.07021	0.8
107.04960	49.6
109.02904	0.6
109.10067	0.8
110.07196	0.7
114.09173	1.0
115.03875	0.6
115.08660	0.8
117.03389	14.7
119.04935	1.1
120.08099	0.9
121.06503	2.0
122.07179	4.7
123.04399	0.7
129.10234	1.1
131.04909	0.7
134.03581	0.9
135.04433	3.3
136.11214	1.7
137.11992	0.7
139.03903	2.0
144.04709	1.0
145.02852	38.3
147.04405	0.8
148.11220	0.7
149.05986	12.8
150.12770	1.3
159.04439	1.3
159.81009	0.8
163.03915	13.7
165.05455	1.0
173.05984	0.9
175.07520	0.7
177.05476	64.0
177.13869	1.5
178.08670	1.5
181.04926	1.2
187.03951	1.0
191.03381	0.7
191.06912	0.6
205.05016	6.2
205.13397	4.9
206.19057	1.3
219.06499	0.6
220.13339	25.0
229.09615	1.1
234.11244	1.1
247.05501	0.6
247.18100	11.0
248.12837	3.5
248.18834	2.7
265.11676	2.0
265.15567	13.3
265.19116	100.0
266.19406	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1071
Annotation	Xestodecalactone A
Peak:m/z	Relative Intensity
55.05503	0.6
57.07083	1.8
57.74932	0.3
59.05006	6.2
59.59921	0.3
61.84384	0.3
65.03937	0.5
67.05496	0.6
68.99797	0.3
69.41467	1.5
69.41889	0.8
79.05476	0.5
81.07067	0.4
85.06530	1.0
91.04914	0.4
91.05486	7.2
93.79429	0.3
95.04953	0.3
105.07000	0.3
107.04965	12.0
119.04945	10.4
119.05798	0.7
135.04424	1.2
163.03914	100.0
163.42915	0.3
164.04254	0.5
175.03940	0.4
177.05510	0.3
229.08678	0.3
265.10733	48.9
266.11118	0.5
266.44971	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1073
Annotation	Xestodecalactone A
Peak:m/z	Relative Intensity
55.05506	0.6
57.07064	1.6
59.05006	6.5
67.05482	0.5
69.41895	2.7
70.42355	0.3
79.05478	0.5
85.06560	1.0
91.05489	7.0
93.07063	0.7
107.04959	11.2
117.82774	0.3
119.04955	11.1
122.58427	0.4
135.04446	1.2
163.03915	100.0
164.04257	0.8
167.72794	0.4
230.30537	0.4
265.10736	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	265.1549
Annotation	Feruloylputrescine
Peak:m/z	Relative Intensity
52.52107	0.3
54.96330	0.3
60.94385	0.4
62.40128	0.3
62.73670	0.4
64.00970	0.4
71.20762	0.7
72.08160	16.7
89.03912	5.4
89.10799	11.7
91.05480	0.5
96.37013	0.3
98.06069	0.8
103.05457	0.4
106.04186	0.6
115.08685	2.0
117.03387	23.7
130.07153	0.4
134.03639	1.6
135.04462	0.7
145.02853	57.7
146.03239	0.9
149.05981	8.9
177.05478	100.0
178.05925	0.7
186.05557	0.4
240.61546	0.4
248.12840	4.4
251.09622	0.4
265.15485	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	265.1071
Annotation	Peucedanol
Peak:m/z	Relative Intensity
55.01805	1.4
55.13445	0.6
61.42434	0.6
67.05437	0.8
68.99719	1.5
69.00043	0.6
69.60184	3.8
70.06526	1.2
72.08048	2.4
79.04727	0.6
79.05387	2.0
84.08078	1.3
85.06477	0.9
86.09655	1.0
89.03825	0.9
89.10661	0.7
91.05386	2.8
93.06971	0.9
94.06467	0.7
98.97497	1.0
103.05471	3.2
104.96107	0.8
105.06966	1.2
107.04887	1.5
107.08516	0.7
115.05343	0.7
117.03281	2.2
117.35696	0.6
119.04831	3.0
119.05632	1.0
119.08492	0.8
120.07971	1.9
121.06428	1.0
122.07059	2.4
131.04826	2.5
131.08481	1.2
133.06444	0.7
136.07500	0.9
140.12698	0.6
141.06908	0.6
145.02846	6.1
145.06421	1.3
145.10066	1.1
147.04419	8.1
148.05211	5.1
149.05859	2.2
153.06970	0.8
155.08476	1.9
158.07256	1.3
163.03886	1.1
163.07515	3.6
165.06902	0.8
166.36917	0.7
167.08496	0.6
169.06390	0.7
173.05969	0.8
173.09560	1.8
175.03911	42.2
176.04697	36.7
177.05484	15.3
179.05322	1.3
183.07968	1.4
185.05931	0.7
186.06622	1.1
187.03815	1.1
187.07503	1.1
189.05489	1.5
197.06091	1.1
201.09062	2.0
203.08908	1.8
205.04922	1.2
205.08614	5.3
211.07574	3.2
213.05562	4.9
214.06250	6.7
217.80412	0.6
229.06294	0.7
229.08601	25.0
247.09679	100.0
248.10077	0.9
248.12798	1.1
252.19348	0.7
259.32309	0.6
265.10764	50.6
265.15414	2.5
267.69174	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.107
Annotation	Xestodecalactone A
Peak:m/z	Relative Intensity
51.21445	0.2
55.05512	0.5
57.07084	1.8
59.05000	5.9
62.77133	0.2
65.03936	0.4
67.05505	0.4
68.99791	0.4
70.45808	0.8
79.05482	0.5
85.06511	1.1
91.05485	7.6
93.07043	0.3
95.04979	0.4
99.26496	0.2
105.06992	0.4
107.04960	10.5
107.08565	0.5
119.04946	10.1
119.08652	0.2
121.11208	0.2
122.07143	0.4
133.06451	0.2
134.53419	0.3
135.04408	0.7
163.03911	100.0
164.04247	0.8
175.03932	0.6
176.04707	0.5
177.05476	0.4
213.05266	0.3
218.23422	0.3
229.08553	0.6
247.09610	1.0
265.10730	47.4
266.11020	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.0869
Annotation	Glycocitridine
Peak:m/z	Relative Intensity
55.01886	0.8
55.05523	1.1
56.05040	0.9
60.04520	0.8
67.05524	0.8
68.05029	0.7
69.03437	9.7
69.98920	1.2
69.99332	2.0
70.06591	7.6
71.06931	2.8
71.65400	0.6
72.08148	4.2
78.42266	0.6
80.05023	2.1
84.04496	0.8
84.08156	1.9
86.09714	1.6
87.04475	26.9
90.84071	0.6
91.05510	1.1
94.06543	0.8
98.20783	0.8
98.97665	0.6
103.05505	1.3
104.04995	0.7
104.05804	0.8
110.07169	1.1
116.07100	12.9
117.03372	0.9
117.06826	0.6
117.07456	6.6
117.44022	0.6
119.04950	0.7
120.08122	12.1
121.08456	14.6
122.06017	1.5
123.04437	9.0
124.07590	1.8
128.06274	0.6
129.07025	3.5
130.06516	0.7
131.04968	0.8
132.04440	1.2
133.05313	0.7
133.75130	0.7
135.04404	1.3
145.02855	2.1
147.04434	1.4
150.05505	11.0
156.08099	10.7
157.06456	1.9
163.07605	2.8
167.04935	0.8
173.06015	0.8
175.07564	3.7
176.04405	1.5
177.05435	4.4
178.05006	92.5
179.05351	1.4
184.07570	12.4
185.05980	1.9
187.06256	1.1
200.07140	2.0
202.08641	90.3
203.07133	1.2
203.08995	1.2
204.07097	0.7
205.08589	3.7
218.08737	2.8
246.07719	19.1
264.08685	100.0
264.14343	2.4
265.09018	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2372
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03934	3.7
55.05511	15.3
56.05839	2.6
57.03426	1.8
57.07066	5.2
58.07389	1.5
60.92986	1.2
62.49352	1.1
65.03940	2.3
67.05508	88.2
68.05846	9.8
68.90918	1.2
69.07075	14.6
69.97708	2.8
69.98111	2.7
71.04981	3.4
71.08623	3.4
79.05495	35.2
80.05457	1.5
80.05833	16.3
81.06187	3.5
81.07058	100.0
82.07388	12.9
83.07726	3.0
83.08628	9.8
84.08958	2.4
85.06531	5.3
91.05480	14.6
92.05811	6.6
93.06155	2.3
93.07046	36.2
93.07639	1.8
94.07379	23.0
95.04967	2.1
95.07693	3.3
95.08609	85.2
96.08942	9.2
97.06509	4.4
97.09255	1.7
97.10181	4.3
99.08089	5.6
99.40440	1.3
105.07037	12.3
106.07362	6.3
107.07845	2.4
107.08597	21.2
108.08934	15.8
108.37465	1.5
109.09366	3.5
109.10157	50.3
110.10509	4.4
111.08083	2.7
111.10846	2.1
113.09642	1.7
117.07046	2.5
118.07306	2.0
119.08559	11.6
120.08911	3.4
121.09309	1.6
121.10134	20.5
122.10481	10.6
123.10834	5.5
123.11713	19.0
124.12025	1.7
131.08611	2.7
132.08910	4.4
133.09248	2.2
133.10129	9.8
134.10461	3.5
135.10747	2.3
135.11691	16.7
136.12050	10.4
137.12405	2.0
137.13252	7.7
143.08580	1.6
145.10127	3.8
146.10463	3.8
147.10701	2.9
147.11703	7.5
148.12050	3.0
149.12303	1.6
149.13298	12.6
150.13608	6.8
151.13948	4.5
159.11636	2.1
160.12064	2.8
161.13361	6.3
162.13591	2.3
163.14934	8.0
164.15176	4.9
165.15515	4.8
174.13615	1.8
175.14821	4.3
176.04752	1.4
188.15219	2.1
189.16418	1.6
193.10049	1.8
203.06984	1.8
203.17819	1.2
206.10909	1.5
213.21004	1.4
221.13240	2.7
222.52843	1.4
245.08046	2.3
245.21967	20.6
248.15732	1.1
263.09195	4.9
263.17984	6.6
263.23337	79.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.237
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03934	2.3
55.01853	1.0
55.05265	1.5
55.05510	15.0
55.06468	0.9
57.03437	1.6
57.07077	11.6
58.95543	0.8
61.77314	0.9
65.03928	2.8
67.05509	84.4
69.07074	16.4
69.46114	7.0
71.04980	2.0
71.08640	5.8
79.05070	1.6
79.05496	23.3
81.07062	100.0
83.04973	2.6
83.08623	14.4
85.06528	3.6
85.10173	2.2
86.25500	1.0
87.69724	0.9
91.05488	15.8
93.07051	23.7
95.04990	1.8
95.08611	84.5
97.06533	9.6
97.10175	7.2
97.67690	0.8
98.20741	1.1
99.08092	5.4
105.07042	11.0
107.08602	14.3
109.06524	1.9
109.10163	45.1
111.08087	4.3
111.11717	1.4
113.09641	2.6
117.07033	1.1
119.08580	11.9
121.10155	16.6
123.08060	3.0
123.11723	15.0
127.11211	1.8
133.10133	16.4
135.11713	9.1
137.09590	1.8
137.13232	5.0
141.12733	1.5
147.11725	9.4
149.13275	7.4
150.51852	1.0
151.11269	1.1
151.14836	7.5
161.13272	9.0
163.14806	8.2
165.16391	8.4
167.14348	1.2
175.14796	7.6
177.16400	1.7
179.17966	4.2
181.15869	1.2
189.16319	2.9
203.07011	1.1
203.18065	1.4
207.11705	1.7
217.19453	2.5
221.13370	1.0
233.13113	0.9
245.22658	31.3
263.09174	2.4
263.14096	1.1
263.18222	4.2
263.23712	63.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2371
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03936	2.4
55.01866	1.4
55.05512	16.9
55.11348	0.7
57.03425	1.9
57.07078	13.7
57.36123	0.8
65.03930	3.2
67.05507	88.7
69.03425	1.0
69.07069	16.2
70.06599	0.8
70.92823	1.1
70.93173	1.9
71.04972	1.8
71.08642	4.5
79.05493	25.6
81.07058	100.0
83.04969	3.0
83.08626	13.1
85.06538	5.6
85.10159	3.2
91.05481	19.0
93.06491	1.9
93.07047	25.2
95.01838	0.9
95.04948	2.0
95.08610	90.8
97.06542	8.4
97.10155	7.9
99.08101	6.1
105.07030	12.0
107.08600	13.6
109.06549	0.9
109.10162	45.4
111.08086	4.5
111.11732	1.2
113.09639	3.8
119.08602	11.6
121.10159	15.5
123.08078	3.8
123.11710	18.2
125.09622	1.6
127.11150	1.6
133.10133	15.0
135.11694	10.7
137.09616	3.2
137.13261	7.2
141.12738	1.2
145.10149	1.0
147.11705	10.7
149.13266	8.1
151.11214	1.3
151.14818	9.2
155.14323	1.9
161.13260	12.8
163.14838	7.7
163.25639	0.9
165.16371	10.2
167.14374	0.9
175.14842	8.9
177.16418	1.6
179.17889	3.5
181.15927	1.7
189.16394	3.7
203.07048	1.1
203.17987	1.6
217.19365	1.4
245.08099	1.1
245.22655	31.2
263.09195	3.7
263.23706	66.7
264.24008	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.8
55.01860	1.1
55.05267	1.3
55.05510	14.1
57.03439	0.9
57.06844	0.7
57.07084	10.3
65.03934	2.4
67.05508	85.9
69.03405	0.9
69.06728	1.3
69.07069	15.0
69.25116	7.4
71.04977	2.1
71.08636	6.0
79.05495	23.2
81.07059	100.0
83.04961	1.8
83.08622	13.8
85.06565	4.0
85.10169	2.6
91.05486	16.1
93.06491	1.7
93.07049	24.3
95.04964	2.7
95.08612	85.7
97.06535	6.7
97.10174	7.0
99.08102	5.1
105.07042	10.2
107.04920	0.9
107.08595	13.2
109.06528	0.9
109.10161	42.2
111.08102	4.9
111.11723	2.1
113.09647	3.0
119.08575	13.0
121.09325	1.6
121.10147	17.0
123.08077	3.3
123.11713	18.1
127.11169	2.0
131.96112	0.7
133.10150	15.2
135.11684	11.3
137.09634	2.4
137.13264	7.6
139.11093	1.1
141.12727	1.6
147.11685	10.2
149.13261	8.2
151.11136	1.2
151.14821	5.9
155.14311	1.1
161.13258	11.3
163.14864	8.5
165.12808	0.9
165.16380	9.2
167.08723	0.8
175.14838	7.4
177.16354	2.4
179.17932	3.5
181.15810	1.8
189.16486	3.7
193.70895	0.8
203.07024	1.9
203.18002	2.1
207.17419	1.1
217.08679	1.4
217.19545	1.6
245.08145	2.7
245.22668	29.0
247.11597	1.1
263.09103	5.7
263.14621	7.4
263.23706	58.5
264.24161	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2372
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03941	2.6
55.01873	1.3
55.05512	18.3
57.03442	1.7
57.07084	11.1
58.78119	0.8
59.83175	0.8
65.03934	2.8
67.05509	84.8
69.03421	1.1
69.06725	1.5
69.07068	16.8
69.79060	2.8
69.79474	1.9
71.04994	1.5
71.08636	6.0
79.05495	23.8
81.07060	100.0
83.04988	2.1
83.08625	15.0
85.06542	3.1
85.10183	2.3
91.05486	19.4
93.06493	1.6
93.07053	25.9
95.04977	2.2
95.08613	83.9
97.06558	7.1
97.10175	5.8
98.21407	1.4
99.08102	6.6
105.06396	1.4
105.07047	15.3
107.08599	14.5
108.60906	0.9
109.06570	1.3
109.10165	47.4
111.08089	4.8
113.09676	2.6
119.08588	14.8
121.09328	1.4
121.10146	15.7
123.08075	2.0
123.11719	16.6
125.09672	0.9
127.11177	2.6
128.06204	1.3
131.08589	0.9
133.10135	13.4
135.11690	10.2
137.09578	2.7
137.13237	6.8
139.11243	1.3
141.12755	1.8
141.88008	0.8
142.07788	2.6
143.08591	5.0
147.11694	8.7
149.13257	8.0
149.48311	0.9
151.11229	2.2
151.14818	9.6
154.57364	1.0
155.14365	1.5
156.09346	0.9
157.10110	3.8
161.13280	11.1
163.14845	7.3
165.16451	9.0
167.14290	1.3
175.14844	7.3
177.16377	1.7
179.17967	3.6
181.15919	1.2
189.16417	3.0
189.56270	1.0
191.08316	1.0
192.09286	1.5
193.10077	1.9
205.10109	0.9
206.11018	2.2
207.11732	3.6
217.19487	2.0
218.10985	1.2
219.11761	0.9
220.12396	1.4
221.13286	3.0
233.13274	5.3
234.14177	1.0
245.22670	31.8
248.15550	3.5
263.09058	2.4
263.17984	14.5
263.23712	67.2
264.24231	1.6
266.16263	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2007
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
53.03945	4.7
53.91921	0.9
55.01866	1.6
55.05516	21.1
56.05849	2.2
57.07083	5.1
65.03941	3.0
65.86752	1.1
67.05511	82.0
68.05841	7.4
69.03447	2.1
69.06189	1.1
69.06728	1.7
69.07072	20.2
69.92516	5.3
70.07398	2.4
71.04982	3.6
71.08622	1.0
73.06565	1.1
77.03870	1.1
79.05499	75.9
80.05833	13.1
81.07063	79.1
82.07384	8.5
83.04973	1.6
83.07726	1.5
83.08633	11.4
84.08964	1.7
85.06543	3.3
88.50134	1.1
91.05487	33.4
92.05818	6.4
93.07050	100.0
94.07385	16.2
95.04965	4.2
95.07680	3.5
95.08614	72.2
96.08950	8.4
97.06537	3.6
97.09251	1.7
97.10162	5.7
98.20737	1.3
99.08105	1.7
105.04519	2.1
105.07038	18.9
106.07371	4.3
107.08602	48.5
108.08936	10.6
109.06473	2.5
109.09364	3.1
109.10160	36.7
110.10487	2.4
111.08101	2.9
117.07006	3.0
119.05978	1.1
119.08590	19.5
120.08913	4.1
121.09356	1.9
121.10146	40.5
122.10471	8.1
123.08031	1.3
123.10835	3.8
123.11719	13.8
124.12007	1.5
125.09654	1.4
129.07019	1.5
131.08588	5.2
132.08888	3.4
133.09239	1.2
133.10135	16.4
134.10460	2.6
135.10829	1.9
135.11700	43.5
136.12025	7.2
137.09608	2.2
137.12354	3.7
137.13254	2.8
143.08586	2.3
145.10130	6.1
146.10487	3.3
147.10750	1.7
147.11720	11.2
148.12044	1.9
149.13298	20.2
150.13553	5.1
151.13918	3.3
151.14943	1.6
157.10168	2.3
159.07948	1.0
159.11745	3.5
160.12085	1.8
161.13310	6.9
162.13594	2.5
163.14961	6.2
164.15208	3.8
165.15494	4.1
171.11708	2.7
173.13344	1.5
175.11220	2.6
175.14941	1.9
181.12187	1.5
193.12318	1.8
201.16472	1.1
203.14130	1.3
207.13829	2.6
217.15906	1.6
221.15376	2.9
227.17915	3.0
245.08011	1.4
245.19148	2.0
245.22047	12.9
263.09235	4.3
263.14035	1.9
263.20065	46.6
263.23157	51.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2009
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
53.03933	6.2
54.54301	1.4
55.01860	2.2
55.05278	1.4
55.05518	23.1
60.29804	1.2
65.03964	1.4
67.05179	2.3
67.05507	30.0
68.39194	1.3
69.03445	1.6
69.07067	12.0
69.15753	14.2
71.04982	2.0
72.08157	1.5
77.03934	1.5
79.05497	71.0
81.03410	1.3
81.07063	33.3
83.04987	2.3
83.08631	13.4
85.06540	1.6
89.60953	1.2
91.05485	33.8
93.07050	100.0
95.04975	7.1
95.08614	27.3
97.06548	2.5
97.10176	3.7
97.29354	1.3
98.97607	1.6
105.07042	15.7
107.04961	3.5
107.08600	60.6
109.06526	3.7
109.10178	10.9
111.08013	1.8
116.43770	1.3
117.06998	2.4
119.08587	13.5
121.06561	1.7
121.10152	64.4
123.11730	4.1
129.07016	3.3
131.08565	5.6
133.10146	10.0
135.08044	2.1
135.11699	43.6
137.09726	1.7
143.08578	4.3
145.10138	4.0
147.08011	2.0
147.11685	9.4
149.09634	2.8
149.13255	14.3
151.11163	1.6
151.23802	1.6
157.10168	3.0
159.11714	3.4
161.09605	2.3
161.13242	3.2
163.11192	2.5
163.14813	1.8
167.10728	2.4
171.11758	2.1
175.03897	2.4
175.11302	1.8
181.12198	2.8
185.13304	3.0
191.03404	2.3
199.14903	3.2
203.07079	5.0
206.10965	1.6
207.13725	2.0
217.08658	3.0
217.15829	1.8
221.13199	3.2
221.15295	2.5
227.17896	3.0
235.11491	1.4
245.08173	6.1
245.19055	4.4
263.09171	15.6
263.16174	3.0
263.17740	2.5
263.20126	62.4
268.30090	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1279
Annotation	Picridin
Peak:m/z	Relative Intensity
54.00529	1.6
55.01867	4.0
55.05511	2.8
56.30709	1.5
65.03926	2.3
67.05503	3.8
69.03423	9.2
69.07079	2.1
69.48066	1.5
70.06593	2.8
70.52621	3.7
70.52992	3.0
79.05479	5.6
81.07043	6.9
83.04994	2.5
85.02912	2.5
87.04430	1.8
91.05484	15.9
93.07050	7.8
95.04950	4.6
95.08585	2.3
96.08244	1.9
97.02897	2.1
97.06522	12.0
103.05445	5.0
105.07027	13.6
107.04935	2.6
107.08594	10.0
109.02855	3.6
109.06508	4.3
111.04444	7.7
113.02375	4.2
115.05436	3.6
117.06999	6.3
119.04922	3.5
119.08586	9.6
120.08039	1.9
121.06481	5.1
121.10113	2.5
123.04395	6.3
123.08057	4.8
125.09604	2.1
128.06206	4.4
129.06975	5.1
131.04935	2.6
131.08554	6.5
133.06506	7.4
133.10132	6.1
135.04475	2.0
135.08061	80.9
137.05984	4.4
140.96779	1.6
141.06990	3.5
142.07799	4.2
143.08563	9.5
144.09351	2.7
145.06404	4.1
145.10104	1.9
147.04388	5.1
147.08026	8.8
147.11647	1.5
149.06009	3.3
149.09682	2.2
151.07552	2.4
153.06982	2.5
156.09343	7.4
157.06523	1.8
157.10115	4.4
158.07196	2.6
159.08066	9.3
159.11697	8.0
161.06000	3.9
161.09583	5.4
163.03830	2.3
163.07553	2.8
166.07779	3.5
169.06390	1.8
169.10080	2.6
171.08086	7.8
171.11685	5.0
172.08820	4.5
173.05922	1.7
173.09612	7.3
173.13379	1.9
174.06798	2.0
175.03923	22.4
175.07523	5.9
175.11182	4.4
176.04666	3.1
177.43700	1.7
178.87720	1.6
181.10098	3.9
183.07976	2.0
184.08846	3.4
185.09618	4.9
187.03893	5.6
187.07584	3.1
187.11171	27.8
188.08347	3.5
189.05464	4.7
189.09116	2.9
189.12613	3.1
199.07468	4.8
199.11180	16.6
203.05307	2.8
203.07033	31.8
203.10666	37.9
205.04868	2.9
212.08240	3.3
215.10704	14.4
217.08577	11.0
217.12222	19.8
227.07103	3.3
227.10660	17.0
233.08075	8.5
233.11694	11.7
245.05814	3.0
245.08081	32.3
245.11729	38.3
263.09134	100.0
263.12741	12.8
263.16479	3.0
264.09213	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0915
Annotation	Hibiscanal
Peak:m/z	Relative Intensity
50.10480	0.4
55.01867	0.5
55.05498	0.5
68.99784	0.7
69.91862	2.2
91.05490	2.5
97.53700	0.4
98.20794	0.4
103.05457	2.0
104.64122	0.4
105.07023	0.5
107.04976	0.9
117.07021	0.5
117.38982	0.4
119.04939	1.7
119.08576	1.2
128.06262	0.9
128.26720	0.4
129.07014	0.8
131.04918	1.2
132.05699	0.4
133.06516	1.0
134.03638	0.9
141.06941	0.4
143.08556	0.8
144.05629	0.6
145.06555	0.4
147.04404	4.0
147.08083	4.4
148.05081	0.5
157.06497	0.9
159.08087	1.9
160.05312	0.5
161.05998	0.6
163.03871	0.5
171.08035	1.1
175.03922	20.9
175.07541	0.7
176.04701	3.5
177.05484	0.9
185.05991	1.0
187.03900	4.3
189.05478	4.2
190.31854	0.5
199.07623	0.8
203.07042	32.6
205.04991	2.5
215.06985	0.6
217.08591	6.2
227.06999	2.1
233.08115	11.8
245.08107	26.3
246.08366	0.5
263.09158	100.0
264.09552	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0916
Annotation	3,4-Dihydro-1,2-secomicrominutinin
Peak:m/z	Relative Intensity
55.05517	0.6
56.44353	0.4
66.33800	0.4
68.11959	0.3
68.99782	1.3
70.93784	0.7
74.06277	0.4
75.36051	0.4
76.24586	0.4
91.05494	2.8
103.05456	1.9
105.07024	0.9
107.04963	1.2
115.05450	0.7
116.06249	0.5
117.07045	0.5
119.04933	1.3
119.08582	1.6
128.06212	1.4
129.07005	1.1
131.04916	1.5
131.08611	0.6
133.06482	1.8
134.03636	1.3
143.08577	1.4
145.06505	1.1
147.04425	4.4
147.08057	5.5
148.05154	1.2
157.06514	0.9
159.08081	2.2
160.05203	0.7
161.06001	0.7
161.46935	0.4
163.03889	0.9
171.08087	1.6
175.03926	20.4
175.07518	0.6
176.04698	6.8
183.08078	0.5
185.06000	1.0
187.03926	6.9
189.05487	4.4
199.07607	1.5
201.05391	0.6
203.07053	31.3
204.07408	0.7
205.05011	3.0
214.06194	1.3
217.08626	15.9
217.10699	0.8
227.07077	2.6
233.08099	7.2
245.08113	47.3
246.08429	0.7
263.09164	100.0
264.09491	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0916
Annotation	3,4-Dihydro-1,2-secomicrominutinin
Peak:m/z	Relative Intensity
55.01890	1.1
55.05550	1.8
57.03450	0.5
62.17060	0.4
65.03980	0.8
67.05527	1.4
68.99816	0.7
69.03461	2.0
69.07105	0.7
69.48312	3.7
70.06623	2.3
72.08221	0.6
79.05483	2.3
81.07095	2.1
83.04986	1.2
86.09715	0.5
91.05488	5.3
92.50959	0.6
93.07043	2.6
95.04356	0.5
95.04987	1.2
95.08647	1.1
97.06583	0.8
101.06033	0.5
103.05505	0.9
105.07018	3.6
107.04964	4.2
107.08639	1.9
109.06548	0.8
109.10224	0.7
111.08094	0.9
115.05521	0.7
117.07065	0.9
119.04955	3.1
119.08595	2.4
120.05768	0.7
120.08176	0.6
121.06562	0.9
121.10163	1.2
125.09659	1.1
128.06262	1.7
129.07054	1.8
131.04988	1.8
131.08621	1.3
133.06534	1.3
133.10208	1.7
135.04347	0.6
135.08072	0.6
135.11720	0.7
137.09694	0.5
143.08578	3.5
145.06535	0.8
145.10190	1.5
147.04434	6.5
147.08084	1.7
147.11755	0.9
148.05232	4.1
149.09694	1.1
153.06963	0.9
155.06006	0.8
158.07280	0.6
159.08130	1.2
159.11685	0.8
161.06075	0.7
161.09659	2.5
163.03925	10.3
171.08054	2.9
173.09708	1.1
174.03717	0.5
174.06725	0.6
175.03938	13.0
175.07581	1.7
175.11349	0.6
175.14929	0.8
176.04697	23.8
177.05432	0.5
185.06004	1.0
185.13226	0.8
187.04004	1.3
187.07544	0.5
189.01961	0.7
189.05551	1.5
189.09189	1.3
191.03397	14.0
199.07500	2.4
201.05513	1.3
201.09099	0.5
203.03479	2.5
203.07016	8.6
203.08746	0.6
207.02974	0.6
217.08604	48.5
225.87692	0.5
227.06992	3.1
229.05031	2.4
230.05786	1.1
233.08084	1.0
237.03014	0.6
245.08116	100.0
246.08470	1.9
256.52167	0.5
263.09155	61.4
263.16275	2.5
263.20294	0.9
264.09290	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0916
Annotation	3,4-Dihydro-1,2-secomicrominutinin
Peak:m/z	Relative Intensity
55.01872	0.7
55.05511	0.9
64.74943	0.4
68.99780	0.5
69.03433	1.0
69.82323	2.1
79.05451	0.4
91.05499	1.8
98.81865	0.4
103.05446	1.8
105.07051	1.0
107.05003	0.5
115.05495	0.5
117.07057	0.5
119.04950	1.4
119.08640	0.5
121.06482	0.5
128.06247	1.0
129.06970	0.6
131.04907	1.3
131.08568	0.5
133.02878	0.5
133.06502	0.7
133.10124	0.5
134.03653	0.7
135.08047	1.4
143.08554	1.8
145.06479	0.7
147.04425	6.5
147.08070	0.9
148.05199	5.3
149.84056	0.5
159.08115	0.5
161.05995	1.1
161.09579	2.1
171.08055	1.7
173.09627	1.2
174.06792	0.8
175.03920	14.6
175.07541	1.2
176.04697	25.0
184.05327	0.6
187.03908	1.1
189.05487	1.6
189.09120	1.3
199.07512	1.2
201.05476	0.9
203.03329	2.4
203.07053	8.3
204.07552	0.5
217.08611	53.1
218.08937	0.8
227.07050	1.9
229.04971	0.7
230.05872	0.6
231.30252	0.4
237.71452	0.5
245.08109	100.0
246.08504	1.8
259.56818	0.4
260.59406	0.5
263.09161	46.8
264.08975	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
69.39398	4.9
70.80417	1.1
70.99835	2.2
77.00901	1.9
78.70712	0.8
82.99854	3.5
89.00888	3.9
97.01391	1.3
101.00885	25.1
107.89446	0.9
113.00813	1.4
119.01152	1.7
119.01929	17.7
120.92291	1.0
127.02425	4.5
131.01924	2.1
135.01364	1.4
137.02931	1.3
139.02417	7.5
143.01912	24.6
145.03491	5.2
154.57889	0.9
157.03482	14.1
159.01425	2.7
161.02977	29.3
167.01927	2.1
173.02950	1.6
175.04546	2.1
185.02933	7.2
203.04044	15.6
221.05118	13.1
239.06198	7.3
245.04976	1.1
256.71619	1.0
263.06134	100.0
264.06247	2.1
281.06992	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0916
Annotation	(+)-cis-Khellactone
Peak:m/z	Relative Intensity
53.03940	0.5
53.49292	0.5
56.85833	0.4
59.04985	0.5
65.86309	0.4
68.99796	0.6
70.38402	1.0
70.38753	0.9
79.05495	2.2
79.90597	0.4
89.03925	0.9
91.05479	2.6
93.07069	0.5
97.41096	0.5
105.07062	0.5
107.04970	1.2
117.07078	0.7
119.04924	0.5
128.06233	2.8
129.07002	0.8
131.04935	0.9
131.08565	0.6
133.10162	0.5
135.04430	3.9
135.08090	0.5
143.08554	3.0
145.02863	5.9
147.04428	2.2
147.08054	0.5
153.06999	1.0
157.06537	0.7
161.09514	0.5
163.03925	12.7
164.04745	0.9
171.08041	3.2
175.03940	2.7
175.07449	0.6
176.04700	1.9
181.06505	1.6
184.05185	1.2
185.05991	1.0
187.03938	1.2
191.03415	55.9
192.04175	5.0
193.05081	0.4
199.07550	3.2
203.03276	0.8
203.07024	1.4
205.05000	1.7
209.06068	0.7
213.05518	0.6
215.03481	1.2
217.08620	4.0
227.07063	3.1
229.04985	4.0
230.05727	3.1
245.08125	41.5
246.08421	0.8
263.09177	100.0
264.09473	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57028	4.2
61.34743	4.6
67.46442	4.4
70.74443	11.5
70.74761	4.5
74.64890	5.3
82.99850	12.2
101.00885	46.9
113.00892	11.8
115.54736	4.5
119.01947	28.0
127.02422	4.9
130.94957	5.0
131.01903	11.3
143.01901	100.0
147.32681	6.2
155.01901	20.0
157.03520	7.2
161.02972	97.1
169.10156	5.0
173.03011	39.3
185.02983	12.0
191.04028	16.7
199.60512	5.0
203.04045	26.8
221.05035	13.1
223.36671	4.9
239.06033	9.6
263.01685	44.1
263.06000	53.6
263.08514	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	263.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	4.9
69.03429	1.0
70.07168	2.2
70.46417	0.7
70.98112	1.9
70.99857	2.8
74.74117	0.6
77.00899	0.9
81.03413	0.9
82.99828	7.7
85.02934	1.8
86.99335	1.1
89.00923	1.8
94.10773	0.8
94.99830	1.0
97.02885	2.2
98.97594	6.5
101.00883	52.3
102.96864	0.9
108.33334	0.7
109.02894	0.9
110.97558	1.4
113.00873	9.6
115.02429	2.5
116.98611	1.1
119.01926	32.8
124.95472	0.9
127.02415	2.2
131.01915	14.4
133.03479	2.7
135.01399	1.0
137.02994	1.8
139.02429	3.7
141.00432	1.2
143.01903	81.0
144.02113	0.8
145.03493	4.2
149.02893	0.9
154.96605	1.2
155.01910	11.9
157.03471	8.0
159.01405	1.8
161.02965	100.0
162.03333	1.0
167.01868	4.3
170.96001	1.0
172.97673	1.4
173.02975	26.2
175.04518	2.1
179.03938	0.9
184.04602	1.6
185.02960	11.7
190.98590	1.2
191.02397	1.4
191.04036	14.2
191.05580	0.7
197.03000	4.5
203.04030	30.8
214.98766	1.8
215.03984	3.2
221.03156	1.8
221.05063	8.8
233.05070	1.5
239.06178	3.4
245.05115	2.8
263.03137	3.3
263.06143	72.2
264.06250	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02377	0.7
53.03946	3.6
55.05513	13.2
57.03424	1.6
57.07088	4.0
59.04991	0.6
65.03932	2.3
66.78467	0.6
67.05511	41.6
68.95838	0.6
69.07071	13.3
71.04993	1.9
71.08620	2.1
71.22167	1.0
77.03909	1.7
79.05497	62.1
81.03419	0.7
81.07059	49.5
83.04997	1.0
83.08625	9.8
85.06550	4.2
85.10147	0.7
91.05490	28.9
93.07048	75.3
95.04964	3.7
95.08611	36.5
97.06521	4.2
97.10165	2.2
99.08099	3.8
105.04523	2.4
105.07040	19.3
107.08598	48.3
109.05798	0.5
109.06525	2.3
109.10161	15.9
110.08650	0.6
111.08109	3.7
113.09612	1.2
115.05453	0.9
117.07010	6.9
119.06169	0.8
119.08579	15.0
121.10149	40.1
123.08083	1.4
123.11699	4.3
125.09605	1.1
129.06915	0.7
131.08569	16.0
133.10144	13.6
135.08173	0.6
135.11699	34.4
137.09633	1.0
137.13255	1.7
139.11206	1.6
145.09062	1.1
145.10135	15.7
147.11684	11.0
149.09639	1.1
149.13268	25.1
151.11215	1.1
151.14801	0.9
153.12639	0.7
159.11700	11.2
161.13269	11.5
163.11230	0.6
163.14828	19.4
165.12746	1.0
166.79430	0.6
169.38763	0.5
173.13283	10.3
175.14827	4.7
177.16432	5.1
179.14284	1.8
187.14839	7.1
189.16374	0.9
201.16412	3.3
203.17879	0.8
205.15878	1.0
215.17979	4.6
219.17374	0.7
233.22758	1.6
239.93030	0.7
243.21097	32.8
254.85220	0.6
261.22156	100.0
262.22635	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.4
55.01848	1.4
55.05510	16.2
57.03436	1.7
57.07060	4.5
65.03947	1.4
67.05505	48.6
69.03406	1.1
69.07071	12.0
71.04976	2.8
77.03919	0.9
79.05495	64.2
81.07057	54.1
81.45757	1.0
81.46276	1.1
83.08626	8.4
85.06527	3.8
87.44189	0.9
87.55814	0.9
91.05476	33.7
93.07046	83.2
95.04936	3.5
95.08610	37.4
97.06522	3.4
97.10163	3.2
99.08098	4.8
105.04524	1.9
105.07033	20.7
107.08597	47.2
109.06506	2.0
109.10166	15.5
111.08062	4.4
113.09666	1.3
117.07031	5.1
117.63686	1.0
119.08582	14.1
121.10144	47.6
123.08114	1.9
123.11684	4.6
125.09641	1.1
131.08566	13.9
133.10139	12.5
135.10703	2.0
135.11693	34.0
135.12726	1.7
136.93260	1.1
137.09573	2.5
137.13254	1.5
145.10138	14.0
147.11685	13.6
149.09669	1.4
149.13263	27.4
151.11165	1.5
159.11694	12.0
161.13258	14.1
163.14810	22.4
165.12727	2.0
171.05786	0.9
173.13260	10.2
174.12793	1.0
175.14821	5.8
177.12794	1.5
177.16374	4.0
187.14824	8.4
189.16336	1.5
201.16360	2.9
215.17932	2.8
233.22653	1.1
243.21089	33.0
261.22131	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02369	1.7
51.15826	1.2
53.03934	4.5
55.05515	17.0
57.03446	2.4
57.07073	5.6
58.20127	1.2
58.66468	1.4
65.03935	2.3
67.05511	48.4
69.07076	13.7
69.24696	1.4
69.24834	1.5
69.25271	9.6
69.25585	1.9
71.05013	1.5
71.08617	2.1
79.05501	62.0
81.06597	3.0
81.07064	55.5
83.08621	7.5
85.06541	3.8
91.05489	33.0
93.07050	77.7
95.04955	4.0
95.08615	38.8
97.06525	4.4
97.10152	3.7
99.08089	4.6
105.04520	2.1
105.07040	21.6
107.07881	2.7
107.08604	49.1
109.06548	2.1
109.10163	16.3
111.08076	4.1
113.09632	1.5
117.07018	8.3
119.08575	15.7
121.10154	47.9
123.08090	1.8
123.11739	7.3
131.08577	17.5
133.10133	13.2
135.07985	1.3
135.11710	39.8
137.09621	2.8
137.13235	2.4
145.10124	15.3
147.11726	11.9
149.13266	27.9
159.11716	10.7
161.13269	10.0
163.14830	25.7
165.12784	1.5
173.13287	10.1
175.14847	2.6
177.16379	3.8
179.14294	1.6
187.14818	8.4
195.83472	1.4
201.16412	4.1
215.18053	1.7
219.17580	1.7
240.79695	1.4
243.21118	35.3
261.22159	100.0
262.22781	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.9
55.05512	12.5
57.03455	1.7
57.07063	4.3
61.21997	1.0
65.03910	1.1
67.05512	42.2
67.79353	1.1
69.07076	13.1
70.54527	2.6
70.54901	2.4
71.04997	2.7
74.47113	1.0
77.03905	1.8
79.05502	52.2
81.07065	46.5
83.04971	1.3
83.08639	7.9
85.06577	2.6
91.05487	24.9
93.07053	72.0
95.04997	2.3
95.08617	34.5
96.55260	1.2
97.06504	2.0
97.10149	2.4
99.08088	4.1
105.07040	18.3
107.08612	49.1
107.88494	1.1
109.06509	1.5
109.10165	17.1
111.08089	2.1
113.09647	1.3
117.06318	1.3
117.07029	6.8
119.08591	17.6
121.10155	44.6
123.11716	4.6
131.08562	15.4
133.10144	12.9
135.11710	31.5
137.09596	1.3
137.13264	1.5
145.10130	15.0
147.11720	10.7
149.13278	27.1
159.11690	10.2
161.13278	12.4
163.14850	19.5
173.13295	9.4
175.14748	5.9
177.16383	4.8
179.14304	2.6
187.14827	7.4
201.16429	3.8
215.17914	1.8
233.22649	1.3
243.21126	36.4
244.03786	1.2
261.22159	100.0
262.22342	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03944	4.7
53.20683	1.3
53.63170	1.1
55.05517	14.8
57.07071	3.6
61.35504	1.1
65.11365	1.3
67.05509	46.4
69.07071	13.0
69.80159	6.4
69.80536	2.6
71.04993	3.9
77.03939	1.5
79.05499	63.7
81.07065	50.5
83.08635	8.0
85.06543	3.6
91.04916	1.4
91.05490	33.1
93.07054	80.8
95.04958	4.1
95.08616	37.0
97.06525	3.6
97.10162	3.1
98.20625	1.3
99.08112	2.3
105.07040	19.5
107.08603	49.1
109.06501	2.6
109.10169	15.9
111.08078	4.2
117.07019	8.3
119.08603	17.3
121.10157	43.8
123.08092	1.2
123.11727	3.4
123.29469	1.4
125.09673	1.3
131.08591	15.2
133.10127	14.1
135.11705	40.2
137.09583	2.0
145.09200	1.7
145.10150	15.5
147.11707	12.0
149.09642	1.5
149.13277	24.6
151.11270	1.4
159.11729	10.7
161.13290	11.3
163.14827	19.5
173.13281	11.1
175.14839	4.9
177.16414	6.3
179.14223	1.9
187.14799	6.7
201.16359	3.9
215.17966	1.7
225.04665	1.6
227.29166	1.4
243.21123	31.2
261.22162	100.0
262.22430	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.6
51.02820	0.3
51.85737	0.3
53.03942	1.9
55.01871	0.7
55.05513	14.2
57.03446	1.9
57.07081	3.8
59.04999	0.6
65.03936	1.8
67.05506	42.8
67.63182	0.3
69.03421	0.4
69.07069	12.0
71.04993	1.9
71.08623	1.8
77.03938	1.1
79.05496	58.0
80.05801	0.3
81.03448	0.6
81.07059	50.2
82.07426	0.4
83.04967	1.4
83.08624	6.9
85.06544	3.4
91.05484	30.4
93.07047	80.8
94.07358	0.4
95.04979	3.6
95.08610	36.3
97.06531	3.1
97.10168	2.9
97.32702	0.3
99.08102	4.2
100.26191	0.3
103.05474	0.6
105.04527	1.9
105.07035	20.9
107.04955	0.5
107.08598	51.2
108.08922	0.4
109.06522	2.1
109.10159	16.4
110.75270	0.3
111.08091	3.4
111.11723	0.5
113.09662	1.2
115.05543	0.4
117.07020	7.0
119.06087	1.1
119.08582	15.4
121.10148	43.9
123.08089	1.3
123.11710	5.1
124.74649	0.3
125.09657	0.9
125.86969	0.3
129.07021	0.7
130.07803	0.5
131.08572	15.5
133.10138	13.5
133.10938	0.3
135.11697	36.0
137.09595	1.8
137.13260	1.1
139.11214	0.5
143.08609	0.3
144.09367	0.4
145.10129	14.3
147.07957	0.3
147.11697	11.1
149.09627	0.8
149.13263	27.5
151.11200	1.2
151.14815	1.1
153.12767	0.9
159.11699	9.6
161.13258	12.3
163.11182	0.7
163.14827	19.5
165.12759	1.6
165.16391	0.3
171.11722	0.6
173.13269	10.5
175.14845	4.8
177.05469	0.5
177.12836	0.5
177.16396	4.6
179.14308	1.9
185.13284	0.5
187.14818	7.6
189.16360	1.0
191.14343	0.8
197.66985	0.3
201.16399	3.6
203.17976	0.5
205.15897	0.9
213.05556	0.4
215.17932	1.6
217.19473	0.7
219.17456	0.8
233.19005	0.4
233.22655	0.9
243.10208	1.8
243.21089	30.6
244.21390	0.4
254.02663	0.3
261.22141	100.0
262.22400	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1123
Annotation	(Z)-Suberenol
Peak:m/z	Relative Intensity
53.03955	0.5
53.05535	0.5
55.01878	2.3
55.05542	0.8
56.86344	0.4
67.05528	0.8
68.99802	0.4
72.08171	0.6
75.75613	0.4
79.04995	0.4
79.05515	1.0
79.21149	0.4
80.71004	0.5
81.07104	0.5
85.02924	0.7
91.05524	1.6
93.07079	1.0
98.10010	0.4
105.07082	0.6
107.04993	0.5
109.10180	0.5
115.05488	0.9
115.93922	0.4
117.07030	0.8
119.04990	0.7
119.08552	0.5
121.06535	1.1
121.10181	0.6
128.06242	0.5
129.07066	1.5
130.07791	0.5
131.04945	0.8
131.08554	1.0
133.06522	0.8
133.10165	0.5
134.03687	1.0
135.04431	1.0
137.06015	0.5
141.07037	1.4
142.07858	0.7
145.06564	1.4
145.10115	0.7
147.99866	0.4
149.06018	0.8
152.06247	0.6
153.07045	1.2
154.07816	1.8
155.08569	4.2
157.06532	1.3
157.10158	0.7
158.07309	0.9
159.08145	1.7
161.06076	1.0
162.03125	4.1
163.03958	2.1
165.07047	1.7
168.05605	1.0
169.06543	2.3
170.07346	0.4
171.04475	0.8
171.08072	1.7
172.08908	1.4
173.06009	1.3
173.09705	0.8
174.06812	1.2
175.03896	0.6
175.07639	1.2
176.08279	0.6
177.05612	0.8
178.02573	0.5
181.06558	0.7
182.07274	2.3
183.08069	5.5
184.08861	1.5
185.05988	8.7
185.09534	0.8
187.07565	3.5
187.11160	1.0
188.08380	0.7
189.05518	1.6
189.09166	1.3
190.02609	5.9
191.03413	17.9
191.10744	1.0
193.04965	0.8
194.07269	0.5
197.05998	2.0
197.09637	0.8
198.06851	0.5
199.03918	0.6
199.07495	2.6
199.11264	1.0
200.08321	3.8
201.05367	0.7
201.09103	4.9
205.04976	13.9
206.05736	1.1
208.03719	0.5
210.06793	6.4
211.07547	6.5
212.08347	1.3
213.05478	34.1
214.06146	1.3
215.10683	5.1
217.12225	3.7
219.10147	6.2
225.09123	16.1
226.09676	0.6
227.07069	4.1
228.07841	6.9
231.06546	1.0
231.10309	0.5
243.10184	100.0
244.10497	1.4
246.08873	4.7
261.11224	35.2
261.22177	1.6
261.28809	0.7
262.11603	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1124
Annotation	[3aS-(3aalpha,9aalpha,9bbeta)]-3,3a,4,5,9a,9b-Hexahydro-9a-hydroxy-6,9-dimethyl-3-methylene-azuleno[4,5-b]furan-2,7-dione
Peak:m/z	Relative Intensity
53.03946	3.1
53.68496	0.7
53.76693	0.8
55.01865	1.1
55.05273	1.0
55.05515	13.9
57.03432	1.5
57.07080	3.8
61.31800	0.8
62.45341	0.7
67.05510	38.9
69.07079	11.6
69.11532	0.7
71.04987	2.5
71.08617	1.0
71.48752	1.1
77.03938	1.3
79.05500	52.5
81.07063	45.5
83.04976	1.5
83.08627	7.4
85.06538	3.8
91.05491	28.3
93.07053	70.0
95.04982	3.6
95.08617	36.5
97.06548	3.7
97.10174	2.7
99.08115	3.9
105.04485	1.6
105.07045	20.3
107.08601	44.8
109.06534	1.7
109.10165	13.2
111.08086	2.3
113.09600	1.7
114.94656	0.9
117.07017	7.2
119.08588	16.2
121.10152	41.1
123.08069	1.2
123.11704	4.9
125.09640	1.6
131.08586	15.4
133.10149	14.5
134.03609	0.8
135.11703	34.1
137.09619	1.1
137.13249	1.5
145.10130	14.3
147.11681	12.1
149.09584	0.8
149.13277	28.1
151.11240	1.4
151.14868	0.9
159.11725	9.6
161.13268	12.5
162.03159	1.7
163.14827	18.6
163.81981	1.0
165.12801	1.4
173.13281	9.9
175.14848	4.6
177.05458	5.1
177.16409	4.4
179.14313	1.8
186.06555	0.8
187.14839	7.0
191.14302	1.2
201.16383	3.2
215.17914	1.4
217.19586	1.2
219.17461	1.4
233.22661	1.0
243.10083	4.3
243.21115	30.9
261.22168	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1124
Annotation	(Z)-Suberenol
Peak:m/z	Relative Intensity
52.64365	0.3
55.01866	1.6
56.02957	0.3
67.05497	0.5
68.99780	0.7
69.03432	0.5
70.73212	0.5
73.95331	0.3
74.70988	0.3
79.05499	0.5
85.02870	0.7
85.67940	0.3
91.05463	1.0
105.07002	1.1
115.05477	0.9
117.07018	1.2
119.04952	0.7
121.06518	0.9
128.06210	0.9
129.07027	1.9
130.07668	0.3
131.04901	0.3
131.08543	0.9
133.06546	0.4
141.06947	1.7
142.07777	0.8
143.08554	0.8
144.05751	0.4
145.05284	0.3
145.06482	1.2
145.10152	0.4
147.04375	0.7
147.08060	0.4
149.05971	0.4
152.06276	0.5
153.06993	1.7
154.07780	1.8
155.08542	4.1
157.06488	1.2
157.10104	0.6
158.07278	1.4
159.04437	0.4
159.08061	1.5
160.05217	0.7
160.08839	0.3
161.06001	0.8
163.04042	0.5
165.07030	1.7
167.08598	0.4
168.05750	1.2
169.06520	2.5
169.10175	0.9
170.07303	0.8
171.04469	0.5
171.08044	1.8
172.08835	1.4
173.05968	0.9
173.09633	0.7
174.06784	1.6
175.03920	1.3
175.07588	0.9
176.08359	0.4
177.05476	0.8
179.08527	0.6
181.06462	0.8
182.07277	2.3
183.08067	6.5
184.08810	1.2
185.05992	9.9
185.09575	0.6
186.06750	1.1
187.07532	3.7
187.11211	0.9
188.08231	0.6
189.05429	1.5
189.09138	1.5
191.03467	0.4
191.10732	1.0
195.08044	0.6
197.06000	2.1
197.09549	0.9
199.03944	0.7
199.07513	2.6
199.11220	0.6
200.08298	3.9
201.05455	1.0
201.09108	4.6
202.09859	0.5
203.03429	4.0
205.04965	2.2
210.06773	6.3
211.07570	7.1
212.08318	1.1
213.05478	37.2
214.06107	0.9
215.07153	0.5
215.10713	4.5
215.17960	0.4
217.04887	0.5
217.12231	3.5
219.10199	5.2
225.09123	17.2
226.09828	0.8
227.07043	4.2
228.07826	7.1
229.08601	1.0
241.08664	0.5
243.10184	100.0
244.10507	1.6
246.08733	0.4
261.11234	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	261.1122
Annotation	(Z)-Suberenol
Peak:m/z	Relative Intensity
55.01865	1.5
55.05500	1.9
57.07056	0.9
67.05495	3.5
68.99845	0.9
69.07052	2.0
70.60909	1.7
72.08157	0.9
79.05480	2.4
81.07057	4.3
83.08598	1.0
84.08118	1.0
85.02858	0.8
88.07635	0.8
89.07174	0.9
91.05460	2.7
93.07030	4.0
94.06572	1.2
95.04939	1.7
95.08599	5.0
97.06521	0.8
98.97604	1.9
105.07026	5.1
107.08575	3.9
109.06487	0.9
109.08871	1.1
109.10140	3.1
117.07019	1.5
119.08577	3.2
120.08139	1.3
121.06483	1.9
121.09607	1.5
121.09776	1.8
123.08083	0.9
123.11700	1.3
128.06181	0.9
129.06982	2.1
131.08536	2.2
133.10141	2.6
135.08075	1.2
135.11697	2.2
141.06990	1.2
142.07797	1.6
143.08572	1.8
144.05692	1.1
145.06451	1.7
145.10089	2.3
147.11647	2.3
153.06978	2.0
154.07777	1.7
155.08536	3.1
159.08040	1.7
159.11667	2.5
161.05954	1.5
161.09589	1.0
163.14772	0.9
165.07013	1.6
168.05702	1.4
169.06477	2.1
171.08055	2.3
171.11678	1.1
173.06023	1.6
173.09657	1.8
173.13239	1.4
174.06776	1.8
182.07260	2.6
183.08061	6.2
184.08804	1.2
185.05995	8.9
187.07565	3.4
187.11156	2.0
189.05432	2.4
189.09137	1.7
191.10715	1.6
197.06030	1.9
199.07529	2.4
199.11160	1.3
200.08369	3.8
201.09119	5.7
201.16373	0.9
210.06764	6.6
211.07513	7.5
212.08383	1.2
213.05493	34.6
215.10690	4.9
217.12244	4.4
218.10466	1.1
219.10161	4.8
225.09122	15.6
227.06906	4.2
228.07805	7.3
233.12883	1.6
234.00526	0.9
243.10182	100.0
243.21007	1.6
244.10429	1.4
261.08444	1.2
261.11081	11.6
261.15125	1.1
261.18533	2.8
261.22101	4.3
261.25491	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	261.1122
Annotation	(Z)-Suberenol
Peak:m/z	Relative Intensity
55.05493	2.2
56.96555	1.5
57.07085	1.5
67.05499	3.4
69.07063	2.9
70.06573	0.9
71.48064	1.6
72.08149	1.2
73.79799	0.9
79.05486	3.3
81.07087	5.9
84.96030	0.8
86.09721	1.8
89.07179	1.4
91.05488	4.4
93.07054	4.3
94.06592	1.3
95.08618	5.1
98.97598	1.5
105.07050	5.1
107.04946	0.9
107.08581	2.8
109.06514	1.0
109.10149	2.2
115.05426	1.0
117.06999	2.2
119.08575	2.4
120.08084	1.4
121.06503	1.4
121.10115	1.8
123.11674	1.4
129.06981	2.1
131.08546	2.5
132.95819	1.2
133.10152	2.8
135.11664	1.6
137.05989	1.1
141.07018	1.6
143.08533	1.3
145.06482	1.3
145.10103	2.8
147.11720	2.1
149.02374	1.2
149.13246	1.5
153.07047	1.7
154.07794	1.4
155.08580	3.6
157.06496	1.9
157.10107	1.1
158.07272	1.3
159.08084	2.4
159.11691	2.2
161.05995	0.9
163.03941	1.2
163.14832	2.2
165.06989	1.6
169.06485	2.3
171.08133	1.5
172.08852	1.6
173.05948	1.8
173.09604	1.2
173.13239	1.0
174.06735	1.2
182.07292	2.2
183.08067	6.2
184.08884	1.7
185.05994	8.7
187.07549	2.5
187.09528	1.0
187.11160	1.7
187.14763	1.0
189.05479	1.0
189.09160	1.5
197.05945	1.3
199.07533	3.1
199.11159	1.2
200.08348	3.4
201.05528	1.2
201.09106	4.3
210.06726	6.1
211.07552	8.0
213.05475	36.6
214.06070	1.1
215.10655	5.1
217.12254	3.7
219.10162	6.0
225.09128	19.0
227.07011	3.6
228.07814	6.1
233.12801	1.4
243.10190	100.0
243.21101	2.4
244.10458	1.2
255.78279	0.9
261.07556	1.0
261.08392	1.3
261.11090	11.6
261.15125	0.8
261.18448	4.4
261.22122	3.6
261.25497	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	261.1122
Annotation	(Z)-Suberenol
Peak:m/z	Relative Intensity
51.56700	0.7
55.01852	1.4
55.05512	0.9
57.07053	1.2
67.05489	1.4
70.93231	1.7
70.93585	1.0
79.05482	0.9
81.07047	1.8
88.48129	0.7
95.08602	1.2
100.11214	1.2
105.07051	1.1
109.10146	1.0
119.08568	0.9
123.04359	1.1
128.06239	1.0
129.06978	2.2
130.54239	0.7
131.08545	1.5
141.06987	1.1
142.07741	1.1
143.08556	1.2
145.06470	1.1
154.07738	1.2
155.08528	3.8
157.06453	1.2
158.07281	1.1
159.07944	1.5
161.05927	0.8
165.07022	1.2
169.06505	2.2
171.08049	2.0
172.08835	1.0
173.05988	1.0
173.09593	1.0
174.06798	2.0
175.07590	0.9
182.07275	1.6
183.08043	5.9
184.08865	1.6
185.05966	8.4
186.06815	0.9
187.07524	1.5
187.11163	1.1
188.08414	0.8
189.05450	1.4
194.07339	0.9
197.05925	1.4
199.07552	2.3
199.11273	1.3
200.08339	3.9
201.09120	4.0
210.06772	6.7
211.07556	5.6
213.05481	33.0
214.09956	0.8
214.21651	1.3
215.07248	1.0
215.10681	5.8
217.12289	2.7
219.10124	5.4
225.09116	18.2
227.07054	3.5
228.07809	6.1
229.08670	0.9
243.10181	100.0
244.10582	1.6
254.77357	0.7
259.71533	0.7
261.11206	8.6
261.18515	2.0
261.21927	0.9
262.23822	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1123
Annotation	(Z)-Suberenol
Peak:m/z	Relative Intensity
50.62096	0.3
54.95524	0.3
55.01875	1.8
55.05506	0.5
56.96566	0.5
57.07065	0.5
61.40568	0.3
63.94943	0.4
67.05495	1.1
69.03423	0.4
69.07053	0.7
70.06588	0.6
70.32156	0.9
70.32536	0.6
71.04929	0.3
74.84791	0.3
79.05495	0.8
81.07040	1.0
85.02905	1.0
88.07664	0.5
91.05462	1.3
93.07040	1.0
95.08598	1.1
98.21382	0.3
103.05470	0.6
105.07007	1.3
106.08656	0.4
107.04932	0.5
107.08623	0.8
109.10219	0.3
115.05453	1.3
117.06998	0.9
119.08604	0.8
121.06523	0.9
121.10145	0.7
128.06236	1.1
129.07025	1.6
131.04909	0.8
131.08568	1.3
133.06424	0.4
133.10138	0.7
135.08011	0.4
137.06027	0.5
141.06993	1.8
142.07738	1.0
143.08568	0.8
145.06514	1.7
145.07513	0.3
145.10149	0.6
147.04410	0.4
147.08058	0.5
152.06169	0.4
153.07031	1.4
154.07793	1.7
155.08563	4.8
156.09377	0.4
157.06499	1.1
157.10066	0.5
158.03621	0.4
158.06084	0.4
158.07307	1.4
159.04410	0.4
159.08047	2.4
159.11670	0.5
160.05244	0.3
161.06001	0.8
161.09659	0.5
161.13229	0.5
165.06975	1.8
166.07793	0.6
167.08517	0.5
168.05710	1.4
169.06450	2.7
169.10159	0.9
170.07239	1.0
171.08044	2.4
172.08844	1.7
173.06003	1.6
173.09613	1.5
174.06784	2.4
175.07523	0.8
176.08405	0.5
177.05455	0.5
181.06479	0.4
182.07265	2.2
183.08078	5.5
184.08797	2.0
185.05989	9.4
185.09554	0.5
186.03201	0.9
186.06656	0.8
187.07553	2.9
187.11140	0.7
188.08324	0.7
189.05432	1.7
189.09166	1.9
191.10718	1.3
193.06453	0.5
194.07269	0.5
195.08061	0.9
197.05959	2.3
197.09608	0.7
199.04002	0.5
199.07529	2.8
199.11212	0.9
200.08347	4.1
201.05437	1.0
201.09093	4.6
210.04776	0.4
210.06734	6.8
211.07544	9.1
212.08315	1.3
213.05478	38.0
214.06192	1.5
215.07077	0.6
215.10672	5.5
217.12244	2.9
219.10155	7.2
225.09120	17.0
226.09789	0.5
227.07030	3.5
228.07846	7.2
239.02943	0.6
241.08768	0.4
243.10182	100.0
244.10518	1.4
261.11096	9.1
261.18518	1.0
261.22104	0.7
261.26199	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	261.1124
Annotation	(Z)-Suberenol
Peak:m/z	Relative Intensity
50.31512	0.5
55.01860	1.4
55.05511	0.8
57.05057	0.5
57.07056	0.9
61.22366	0.5
67.05476	0.8
68.99737	0.6
70.06587	1.2
70.31804	1.4
70.32159	0.7
71.81257	0.5
76.77293	0.5
79.05486	0.7
81.07030	1.2
85.02900	0.9
88.07626	1.9
91.05475	1.5
93.07064	1.0
95.08598	1.4
98.97604	0.6
102.09171	0.9
103.09443	0.6
105.07024	1.6
106.08665	0.7
107.08591	0.8
114.47405	0.5
115.05458	0.9
117.07001	1.2
119.04928	0.8
119.08575	0.9
121.06539	0.5
121.10173	0.7
128.06175	0.7
129.07011	1.9
131.04939	0.6
131.08574	0.8
133.06635	0.6
133.10167	0.8
135.08014	0.7
141.07016	1.5
142.07735	0.8
143.08554	1.1
145.06471	1.7
146.07191	0.6
152.06195	0.8
153.07007	1.8
154.07718	1.3
155.08585	3.2
156.98712	0.5
157.06491	1.0
158.07292	1.3
159.04489	0.6
159.08066	1.9
161.05946	1.1
165.06996	2.3
168.05730	1.0
169.06490	2.6
169.10115	1.1
170.07291	0.8
171.08084	1.8
172.08824	1.1
173.05997	1.8
173.09711	1.4
174.06770	1.2
175.03885	0.6
175.07524	0.9
181.06496	1.0
182.07288	2.4
183.08073	6.5
184.08878	1.2
185.05972	8.5
186.03120	0.7
186.06784	0.9
187.07550	3.7
187.11246	0.8
188.08319	0.8
189.05460	1.7
189.09091	1.6
191.10669	1.4
197.05991	1.6
197.09680	0.6
199.03851	0.9
199.07585	2.6
199.11212	1.3
200.08350	3.6
201.05444	0.8
201.09129	4.1
210.06760	6.0
211.07550	7.9
212.08284	1.4
213.05475	32.7
214.06096	1.0
215.07117	0.6
215.10661	4.6
217.12288	3.3
219.10184	6.8
225.09126	17.3
227.07051	3.8
228.07817	6.4
239.02914	1.0
243.10184	100.0
244.10533	1.5
261.07520	0.7
261.07962	0.7
261.11191	10.5
261.18622	1.1
261.26199	13.0
276.17776	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1123
Annotation	(Z)-Suberenol
Peak:m/z	Relative Intensity
52.25397	0.2
53.09851	0.2
55.01872	1.9
65.03933	0.3
67.05511	0.5
68.99817	0.3
69.03432	0.3
69.07066	0.3
70.32491	0.7
71.80119	0.3
72.08149	0.2
79.05511	0.3
81.07046	0.5
85.02905	0.9
91.05472	0.8
93.07036	0.4
95.08591	0.3
105.07011	0.3
107.09657	0.3
115.05452	0.9
116.06230	0.3
117.07008	0.7
119.04940	0.5
119.08614	0.4
121.06467	0.7
123.04348	0.3
123.11782	0.3
128.06229	0.5
129.06996	1.5
131.05008	0.3
131.08598	0.6
133.06566	0.4
133.10089	0.4
135.08000	0.3
137.06010	0.4
141.06995	1.8
142.07755	0.9
143.08589	0.8
144.05721	0.3
145.06479	1.4
145.10143	0.3
147.04428	0.4
147.11702	0.3
152.06221	0.6
153.06984	1.2
154.07779	1.6
155.08563	4.5
157.06462	1.3
157.10211	0.7
158.07254	1.2
159.04466	0.5
159.08034	1.9
160.05312	0.4
161.05995	0.8
165.07036	1.8
166.07849	0.4
167.08600	0.7
168.05733	0.8
169.06503	2.2
169.10103	0.9
170.07254	0.5
171.04379	0.4
171.08054	1.8
172.08833	1.2
173.05974	0.9
173.09592	1.3
174.06778	0.7
175.03931	0.5
175.07547	0.9
176.08243	0.4
177.05498	0.4
181.06532	0.8
182.07289	2.4
183.08054	6.1
184.05241	0.3
184.08891	1.6
185.05984	10.1
185.09610	0.6
186.03123	0.9
186.06721	1.0
187.07553	3.2
187.11217	1.0
188.08305	0.7
189.05469	2.0
189.09071	1.4
189.12773	0.4
191.10701	1.2
194.07248	0.3
195.08025	0.5
197.06021	1.8
197.09682	0.7
198.06805	0.4
199.03836	0.6
199.07513	2.8
199.11180	0.8
200.08340	4.1
201.05484	1.2
201.09128	4.6
201.80215	0.3
202.09955	0.5
210.06758	6.2
211.07535	7.7
212.08340	1.3
213.05475	35.1
214.06099	1.3
215.07167	0.6
215.10707	5.0
217.12271	4.0
219.08107	0.4
219.10167	6.1
225.09113	17.8
226.09749	0.9
227.07065	3.5
228.07843	7.6
229.08646	0.3
231.51707	0.3
239.02766	0.6
243.10178	100.0
244.10504	1.9
248.03320	0.3
261.11230	7.4
261.22211	0.3
262.23831	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2057
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.03930	1.9
55.05514	8.4
57.07065	2.4
66.16981	1.4
67.05496	9.8
68.23651	1.3
69.03419	2.0
69.07071	31.0
71.04992	19.3
71.21883	2.4
79.05475	5.8
81.07063	18.4
83.04962	4.6
83.08630	7.0
85.06540	20.2
91.05495	11.7
93.07034	14.1
95.04954	3.7
95.08607	17.4
97.06509	4.8
97.10122	1.8
99.08094	1.8
101.06020	1.6
105.03394	8.3
105.07034	24.9
107.08586	17.4
109.06534	7.6
109.10162	14.7
109.61517	1.4
111.08061	8.5
117.07010	9.6
119.08588	46.5
121.10149	11.8
123.08040	3.2
123.11715	21.1
129.01825	4.3
129.06999	3.0
130.07782	2.8
131.08571	13.3
132.09265	1.7
133.10127	31.4
135.08051	11.9
135.11696	4.9
137.09581	4.1
137.13232	1.6
142.07747	2.6
143.08562	7.3
144.09367	2.1
145.08942	1.7
145.10115	34.7
146.07005	1.5
147.08026	1.7
147.11685	21.0
149.09610	2.9
149.13269	2.3
156.09325	3.5
157.10138	11.2
159.11693	29.7
160.12503	2.0
161.09636	2.6
161.13254	34.6
163.09818	1.6
163.11156	2.6
165.12830	1.9
170.10902	4.1
171.11674	15.5
173.13278	10.0
175.11180	5.3
175.14832	85.5
176.15617	4.4
177.12706	3.5
177.16344	4.4
185.13269	17.8
187.14775	2.1
188.83743	1.4
189.12733	4.2
189.16434	7.8
190.13553	2.4
199.14838	3.4
201.16379	23.2
203.14290	10.7
215.17903	6.5
215.19810	1.5
217.19464	4.0
229.10162	1.7
241.19513	16.4
244.12396	3.1
259.11237	3.1
259.14709	3.3
259.20572	100.0
260.20929	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.5
55.01870	10.0
55.05509	11.0
56.05033	12.3
57.76926	1.5
58.99591	14.6
61.01147	3.8
67.04229	1.7
67.05496	7.1
68.05023	4.3
69.03449	2.9
69.07059	3.9
70.63939	3.9
73.01134	2.0
74.00677	2.5
74.24008	1.6
76.02218	3.5
76.04002	4.2
76.87750	1.8
78.83157	1.7
79.05498	55.8
80.05003	6.1
81.06589	2.9
81.07053	39.9
82.06181	1.7
82.06589	16.0
82.29865	1.5
83.08598	2.0
84.04508	10.3
84.08156	2.1
85.01132	100.0
85.04031	7.6
86.00158	1.6
86.00655	30.9
86.99051	5.9
88.02204	5.1
91.05487	2.8
92.01675	3.1
93.05797	1.8
93.07044	5.1
94.06557	10.9
95.04945	2.8
95.07320	1.7
95.08615	7.8
96.08129	15.0
97.01110	5.0
97.06551	14.5
97.08929	10.8
98.09108	2.9
98.09698	37.3
100.02193	2.9
105.07042	8.7
107.07327	2.7
107.08580	3.3
108.08121	4.5
109.08893	5.7
109.10119	2.2
110.09673	18.0
111.02634	2.1
112.03983	13.3
113.04234	97.7
114.03744	1.6
114.05549	2.2
115.05847	1.6
116.01696	23.1
117.01269	1.7
119.08556	2.0
122.09676	15.5
123.10419	2.3
127.96991	1.8
130.04050	2.8
130.05008	43.7
130.08557	1.6
131.04549	2.8
133.10117	2.4
139.05762	8.5
143.02748	2.9
144.01146	4.3
145.02794	2.0
147.04373	1.8
156.08414	84.1
156.10191	37.2
157.10222	1.7
161.02330	3.0
162.02222	4.4
163.03914	6.3
167.08392	1.8
173.02371	5.8
177.03229	9.0
189.03250	8.3
189.05275	1.8
200.03955	2.4
215.03345	2.2
215.06993	6.8
242.08495	16.2
259.06177	3.5
259.11307	53.5
259.17044	2.1
259.20520	3.2
259.24146	2.0
270.41611	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0603
Annotation	Isogentisin
Peak:m/z	Relative Intensity
55.01862	0.4
55.05505	0.4
55.97452	0.4
58.87695	0.4
67.05501	0.5
69.03432	0.4
70.84007	0.8
72.08187	0.4
79.05527	0.3
81.07088	0.5
84.08131	0.7
86.09710	0.4
91.05478	1.0
97.06534	0.3
98.09704	0.5
103.05470	0.5
105.06993	0.7
110.09663	0.4
111.08102	0.4
115.05464	2.0
117.06981	0.5
124.07571	0.6
128.06209	1.7
129.07027	2.0
131.04926	4.9
131.08563	0.8
143.04950	0.5
144.05661	0.7
145.06490	2.6
155.06013	0.5
156.10281	0.4
157.06519	1.3
159.04422	12.3
159.07985	0.9
160.05153	0.6
170.03587	0.6
171.04414	6.1
172.05103	0.4
173.02342	1.6
173.05963	1.4
175.07529	0.7
185.06032	1.7
187.03902	13.9
187.07463	0.6
188.04750	2.9
198.03119	15.7
199.03900	5.5
200.04704	1.5
201.01813	0.5
201.05515	0.5
202.02571	1.3
203.06985	1.3
213.05461	4.3
215.03392	100.0
216.04115	4.6
217.04982	0.9
226.02612	17.0
227.03339	3.0
229.04858	0.6
231.06621	0.9
241.04955	11.6
243.99947	0.4
244.03683	16.1
259.06024	100.0
260.06378	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1902
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
54.69657	1.6
55.05515	8.7
55.05724	1.5
56.21584	1.5
57.03437	2.2
57.07108	1.9
64.23969	1.5
67.05508	36.3
69.07063	6.4
69.13623	18.1
71.04982	5.8
76.25302	1.6
79.05485	8.9
81.07059	23.1
83.04974	1.6
83.08614	3.0
85.06535	1.8
91.05488	27.4
93.07042	4.2
95.08593	9.1
97.10168	2.2
105.07037	16.9
107.08550	2.9
109.10163	5.6
115.05474	6.2
116.06239	2.3
117.07020	53.2
119.08570	6.5
121.10104	2.9
128.06216	11.4
129.07013	54.8
130.07742	5.8
131.08572	96.9
133.06490	3.2
133.10120	11.9
141.06992	23.7
142.07765	7.3
143.08580	37.8
145.10133	100.0
147.11673	4.2
154.07796	6.3
155.08569	20.9
156.09418	2.1
157.10143	30.6
159.08054	7.1
159.11699	53.6
167.08574	2.6
168.09334	3.7
169.10164	22.8
171.11696	53.5
173.09651	3.8
173.13272	21.8
175.11206	4.7
182.10841	1.7
183.11707	45.6
185.13275	7.2
187.11264	2.4
189.12839	1.7
197.13254	33.7
201.12634	2.0
201.16432	2.8
211.14833	7.6
213.16472	2.3
215.14345	3.8
222.20190	1.8
224.15366	1.6
229.19577	3.1
239.17960	57.6
240.18294	2.2
257.19012	68.8
257.26596	6.6
258.27924	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	257.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.7
55.05515	12.7
57.03442	2.9
57.07079	3.1
65.03944	1.5
65.76857	1.6
65.97478	1.4
67.05509	39.3
69.07059	4.5
70.06593	2.1
71.05003	2.6
71.28310	3.2
71.40398	1.4
72.08161	2.7
79.05493	9.6
81.07059	18.5
83.08609	4.4
88.56733	1.4
91.05485	22.7
93.07049	9.0
95.08614	11.8
97.06557	2.3
105.07027	20.0
107.08587	5.7
109.10152	6.7
115.05445	7.0
116.06240	3.4
117.07028	44.6
119.08592	8.2
121.10159	12.8
128.06235	9.5
129.06059	2.0
129.07014	35.6
130.07800	6.1
131.08578	80.4
133.06470	2.7
133.10124	8.4
135.08038	1.8
141.06998	16.4
142.07788	6.1
143.08568	33.1
145.10138	100.0
147.11714	4.8
148.83032	1.7
153.06931	2.1
154.07785	2.8
155.08580	19.0
157.10150	29.1
159.11703	47.7
161.09555	2.6
163.11264	1.6
168.09409	2.9
169.10132	20.0
171.11702	44.8
173.13266	18.9
175.11195	4.5
183.11702	36.6
185.13271	6.8
187.11136	3.6
187.14899	2.9
197.13280	23.3
199.14841	6.9
201.12675	2.9
211.14766	5.1
213.16469	3.5
215.18040	2.2
229.19531	5.6
239.17966	42.6
257.19031	88.5
257.26666	9.3
258.27869	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	257.19
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
50.06150	1.8
53.03940	2.7
53.92906	1.7
55.01859	3.1
55.05507	13.9
57.03410	1.8
67.05243	1.7
67.05510	17.8
69.07068	8.5
69.12491	17.7
79.05485	13.1
81.07054	16.3
83.04973	3.8
83.08611	4.0
91.05484	22.2
93.07051	15.6
95.04967	3.1
95.08611	16.2
97.06596	2.0
97.10152	2.5
103.05477	2.0
105.07028	21.2
107.04950	4.9
107.08591	11.5
109.06531	3.6
109.10150	4.7
115.05451	3.8
117.07021	13.4
119.08584	11.2
121.06501	4.3
121.10163	6.1
124.03333	1.7
128.06183	2.8
129.01598	1.6
129.06969	11.0
130.07767	3.3
131.08569	40.8
133.06516	10.7
133.10133	12.0
141.06999	5.8
142.07745	3.9
143.08522	11.3
144.05740	4.2
145.06499	13.1
145.10124	28.0
146.07275	2.0
147.08055	13.0
147.11714	6.3
148.32915	1.9
149.09607	2.8
155.08559	5.9
157.10091	12.5
158.07234	3.6
159.08029	12.0
159.11681	16.2
161.09648	14.7
161.13313	1.8
163.11192	3.5
169.10086	6.2
171.11685	7.2
173.09631	20.1
173.13309	5.7
175.11211	7.4
183.11705	10.2
187.11221	10.4
189.12769	4.1
197.13281	7.0
199.14861	3.7
201.12744	9.9
213.16353	1.8
215.14313	4.1
215.17911	2.6
229.15842	2.2
229.19490	4.6
239.17944	12.5
257.19019	100.0
257.26627	5.5
257.29758	2.4
258.19345	2.7
258.27887	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	257.1903
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
55.01878	2.0
55.05500	4.5
57.07069	6.2
67.05494	6.0
69.07060	5.9
69.39294	9.4
70.06588	3.5
71.04994	5.2
72.08141	5.1
77.03979	1.6
79.05488	6.2
81.07082	7.8
83.08633	2.4
85.06542	4.6
88.07624	5.6
88.64352	1.4
89.07947	2.6
90.09190	3.2
91.05489	8.6
93.07058	14.2
95.04952	4.7
95.08604	10.9
97.06532	1.9
100.14886	1.4
102.09192	2.0
105.07039	25.8
107.08601	13.4
108.84402	1.5
109.06519	4.2
109.10163	9.4
111.08046	1.7
115.05434	2.0
117.07037	5.5
119.08591	16.5
121.10155	67.6
122.10518	1.7
123.08057	3.1
123.11706	2.4
128.06218	3.5
129.07001	5.3
131.08589	12.2
133.07552	2.2
133.10126	8.7
135.08044	11.6
135.11708	3.1
137.09601	4.2
141.06995	2.1
142.07814	5.6
143.08574	19.4
144.09358	3.1
145.10130	24.7
147.08051	1.9
147.11734	3.5
149.09647	4.8
154.07896	1.7
155.08607	3.3
156.09352	4.5
157.10144	25.1
158.10884	2.9
159.08066	1.9
159.11693	21.5
161.09654	3.2
161.13283	3.9
163.11227	2.9
168.09380	4.1
169.10088	10.4
170.10957	1.6
171.11682	11.7
173.09669	3.1
173.13261	23.7
174.14085	3.5
175.11118	2.8
175.14809	1.8
182.10986	2.2
183.11717	11.0
184.12494	2.7
185.13310	3.7
187.11192	5.4
187.14847	5.0
189.12866	2.4
195.11700	2.3
197.13292	8.8
199.14862	38.3
201.12737	9.4
209.13274	3.7
211.07590	1.5
211.14885	2.4
213.16405	10.1
214.17200	3.2
215.14389	2.7
215.17969	8.7
229.05006	4.1
239.18005	16.7
255.80617	1.5
257.08136	5.0
257.19034	100.0
257.26700	46.5
258.19315	2.3
258.27951	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	257.19
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
50.12861	0.5
50.73782	0.5
53.03936	1.6
55.01875	0.8
55.05515	8.9
57.03436	1.4
57.07078	1.1
60.08153	0.9
63.33476	0.6
65.03933	0.9
67.05508	19.6
69.07070	5.4
69.75777	3.2
71.04996	0.6
77.03922	0.6
79.05497	11.6
81.07061	14.2
83.08620	3.1
85.06541	0.8
91.05488	17.9
93.07050	8.4
95.08614	13.3
95.29890	0.5
105.07040	21.1
107.08608	5.5
109.06522	0.7
109.10158	5.9
113.09689	0.7
115.05428	2.9
116.06230	1.6
117.07025	22.3
119.08591	15.1
121.06513	1.6
121.10167	4.2
124.54403	0.6
128.06224	3.3
129.06061	0.6
129.07010	10.7
130.07796	4.3
131.08571	31.2
132.09006	0.6
133.06490	1.9
133.10135	13.3
135.08051	1.8
135.11705	2.6
137.09618	1.1
141.07040	4.1
142.07788	2.2
143.08566	12.8
144.05656	0.6
144.09340	1.1
145.06479	6.0
145.10130	69.7
146.10464	1.2
147.08058	2.8
147.11703	11.0
149.09628	1.3
149.13255	0.7
153.06909	0.8
154.07806	1.8
155.08588	4.3
157.10132	11.3
158.07277	1.0
159.08041	2.4
159.11697	20.3
161.09599	2.6
161.13252	3.0
163.11194	1.5
167.08626	0.8
168.09259	0.8
169.10143	9.6
171.10268	1.2
171.11702	14.8
173.09636	2.1
173.13290	8.4
175.11200	2.6
181.10181	1.1
182.10956	1.3
183.11708	8.2
185.13289	3.4
187.11200	13.3
187.14775	4.6
189.12788	0.9
197.13266	9.3
199.14751	1.5
201.12793	1.2
201.16498	0.9
211.14853	2.8
213.16431	2.0
215.14333	2.9
215.17839	1.1
229.19527	42.8
239.17957	14.3
257.19019	100.0
257.30356	6.9
258.19330	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.4
55.05505	3.7
56.05023	1.7
57.03441	6.4
58.99602	1.0
65.03943	0.9
67.05499	2.9
69.03439	4.9
69.07064	2.3
70.06603	4.0
71.04984	1.7
71.47456	0.8
72.08147	3.7
75.04469	2.1
79.05493	4.7
81.03428	1.4
81.07060	2.2
83.04984	11.6
84.04528	1.4
84.08151	3.0
85.02922	4.0
86.09715	7.7
86.45759	0.8
91.05489	3.4
93.07038	2.1
94.04217	1.9
95.04984	3.6
95.08595	1.6
96.08166	1.3
97.06527	1.0
99.04462	1.8
101.06021	1.8
103.05464	3.9
105.07037	31.4
106.06572	0.8
106.07397	0.8
107.04948	4.7
107.08575	1.1
109.06499	2.5
110.07185	2.7
111.04476	7.9
113.06007	1.2
115.05485	1.3
116.01649	1.1
117.07001	1.2
119.08594	1.0
121.06504	2.4
121.08881	1.1
122.03658	3.3
123.04454	1.5
127.03883	1.5
128.06273	1.0
129.05479	1.2
129.07027	1.6
129.10266	1.1
131.04936	1.3
133.06503	50.1
134.05980	1.1
134.06908	0.9
135.04396	1.1
135.08087	1.1
136.07593	0.9
137.05991	100.0
141.06905	0.9
145.06470	1.7
145.07547	0.9
149.27716	0.8
151.07542	1.7
152.07069	2.2
153.05496	6.6
154.06836	3.4
155.04912	1.8
161.05980	0.8
162.06810	0.9
163.03859	2.0
163.07556	3.7
165.06961	1.6
165.09125	25.3
175.07578	3.2
177.09174	1.5
181.08601	1.4
183.04344	1.3
183.10201	3.7
187.03877	1.1
197.06044	1.5
201.05409	2.0
203.03435	2.0
203.10745	2.1
209.11711	1.1
213.05412	0.8
215.03511	1.7
215.07166	0.8
220.79988	0.9
221.11697	3.4
221.15407	0.9
221.47887	0.9
225.09062	1.2
229.04900	3.2
239.03465	1.2
239.07050	1.2
239.12704	1.1
257.04416	7.4
257.07703	1.4
257.09518	5.5
257.12891	2.7
257.26703	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.9
55.01865	4.3
55.05517	11.6
56.05034	1.5
56.96571	22.6
57.03431	6.7
58.99851	2.2
60.08156	4.0
61.02930	35.8
67.05501	1.6
68.31213	1.5
68.98299	1.9
69.03433	18.4
69.07062	2.3
69.93290	6.5
70.06599	10.9
70.98122	2.5
71.01360	2.4
71.95256	3.3
72.08160	7.8
73.02920	13.7
73.06559	13.3
75.01916	1.8
77.03923	1.6
81.03428	8.0
81.04582	1.5
82.06546	1.4
82.99844	2.8
83.00833	1.4
84.04496	5.5
84.08149	17.0
85.02908	31.9
86.09702	5.6
87.04478	3.9
91.03940	7.7
94.99863	1.8
97.02892	18.9
98.97593	100.0
99.04476	5.6
101.00891	23.2
102.02414	2.3
103.02439	2.0
105.03410	2.7
108.04469	5.5
109.01399	2.4
109.02203	1.7
109.02895	4.1
110.07164	7.4
110.97558	6.4
112.99174	2.2
113.00870	14.6
115.01418	2.4
115.02433	6.5
116.98627	38.2
117.01873	9.2
119.01918	21.0
120.02030	2.2
123.04459	2.2
124.01888	2.8
124.03709	2.8
125.02637	2.3
125.07144	4.9
127.02438	3.4
127.03904	7.8
128.98621	5.9
129.03949	5.0
129.10231	8.7
130.01869	2.3
130.05051	1.7
130.08598	2.0
131.01871	22.1
131.02690	3.1
131.04565	2.6
131.05553	11.9
132.00748	2.3
133.01518	1.5
133.03482	4.7
134.99652	6.6
137.02754	2.0
137.06027	1.9
138.05264	3.3
139.02402	3.9
140.03114	4.3
140.05002	2.8
143.00169	1.6
143.01910	17.1
143.05571	2.0
144.02025	1.8
145.03456	9.6
145.05000	1.6
145.07129	3.1
146.03209	2.3
146.99661	3.7
147.01410	1.9
147.05873	13.2
147.55873	4.3
148.05699	2.4
149.03093	2.3
149.04446	7.0
149.06573	5.0
151.02411	4.2
151.04332	1.6
152.02242	1.7
152.05028	2.7
152.07062	3.7
152.79585	1.6
155.01935	16.6
155.03064	1.9
155.04652	6.1
156.07629	2.1
157.03479	5.7
158.99675	5.5
159.05028	2.0
160.02866	2.8
161.02913	12.2
161.06633	3.9
163.03998	2.1
163.08093	3.5
167.02014	2.7
167.03743	9.3
167.05740	2.6
169.03477	3.0
170.03523	1.6
170.99797	2.7
171.01395	13.0
171.04997	3.0
172.94362	3.4
172.97606	3.2
173.01372	2.3
173.02943	18.2
173.06595	11.4
175.00999	1.9
176.04193	3.5
176.06143	3.6
177.00774	3.2
177.04091	2.0
179.03444	1.7
181.03459	4.3
183.05072	2.5
184.55928	1.7
185.01260	1.9
185.02969	9.4
185.06628	4.0
187.04543	2.8
188.04747	1.9
189.02440	10.4
190.98666	2.3
191.04863	3.4
191.07671	2.2
193.03517	2.0
195.05153	2.4
196.05859	9.0
196.55931	4.3
197.02957	6.0
197.06534	4.6
199.04533	2.5
201.02507	2.7
203.01967	11.9
203.04036	9.4
203.07661	10.0
207.03481	1.9
209.03047	2.1
211.06268	2.2
212.05284	3.8
212.07115	3.4
213.06111	4.1
214.95532	1.8
215.04079	5.1
215.07663	3.5
217.01929	3.0
219.01753	3.0
221.02991	96.0
221.05043	8.7
221.08717	3.7
222.03160	4.3
224.12715	2.4
227.03926	1.7
229.01706	1.8
231.03508	10.0
231.07198	3.1
232.96382	5.4
232.99774	1.7
239.03970	12.9
240.08647	3.7
244.04485	1.8
245.05116	2.4
249.04488	3.5
251.98114	1.7
256.96463	8.0
257.03241	2.8
257.05334	13.8
257.08649	5.6
257.11481	9.9
257.14807	2.4
261.08328	8.0
264.10690	1.7
274.97540	36.3
275.03986	14.9
275.09814	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	254.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04877	0.7
60.08168	84.0
65.03946	5.9
70.94356	1.7
70.94733	1.3
72.08157	1.2
80.36151	0.8
91.05498	8.1
93.02822	1.6
93.03411	27.3
98.98457	2.0
103.05451	0.9
107.04980	1.0
110.03664	2.6
110.07180	1.6
111.04453	11.0
117.03359	1.6
119.04955	5.5
121.06510	2.8
125.06007	39.0
129.59010	0.8
134.03658	1.0
149.05992	81.2
151.07584	1.7
153.05476	100.0
163.04001	1.6
177.05473	7.0
195.06552	66.9
254.13901	38.1
254.16003	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	9.9
56.96561	9.8
57.03438	26.4
60.98935	7.5
61.02931	12.8
69.03429	21.7
69.60326	44.1
72.08165	8.3
73.02903	25.0
85.02903	33.4
95.89259	7.9
97.02892	21.7
98.98457	41.4
101.00898	18.4
107.97887	9.0
110.07186	47.3
113.00940	9.1
119.01940	19.0
123.05578	100.0
124.03947	14.9
127.03905	12.0
143.01868	19.4
144.99823	24.3
145.03493	16.1
155.01938	21.0
156.07661	30.0
161.02979	10.5
163.03938	12.3
171.94791	7.3
173.03006	24.1
185.03036	22.6
189.02507	8.4
195.01614	9.0
197.03044	9.0
197.24893	8.5
203.03987	8.7
215.04112	9.1
221.05038	9.0
233.01329	8.2
241.73030	8.4
245.05052	25.0
251.02531	10.1
255.06224	16.1
255.14417	8.7
256.03107	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	7.2
55.05517	11.6
56.05034	0.5
59.95014	0.5
67.05500	1.5
69.03439	0.5
69.07045	0.4
70.06602	2.4
71.36947	0.8
72.08163	27.4
73.06560	26.1
75.00815	0.6
80.65435	0.4
81.03417	0.7
84.04506	0.6
84.08157	2.1
86.05999	0.5
86.09708	1.0
90.09200	81.8
91.05482	0.8
95.04966	2.0
96.26773	0.5
98.98477	8.1
110.07162	0.8
114.09143	0.6
115.02808	0.4
120.08104	1.2
121.06546	0.8
123.04436	100.0
124.04790	0.7
126.09122	1.1
129.10274	1.0
134.05968	0.4
136.07570	0.8
137.05989	2.1
144.10223	0.5
148.13271	0.4
151.03874	0.5
165.05470	4.8
167.11856	0.5
179.43835	0.4
195.11342	1.3
206.08202	0.5
208.09651	0.8
216.30911	0.4
236.12749	4.1
254.13895	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	253.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	4.6
55.05509	0.5
58.44892	0.4
60.04519	0.3
67.05511	0.5
69.74906	2.0
72.04517	0.7
72.08160	100.0
75.13414	0.4
84.04507	1.3
84.08130	0.4
89.10799	27.6
92.59143	0.4
95.04957	1.2
98.20896	0.6
98.98475	7.4
112.07591	0.5
114.09185	2.1
120.08118	0.5
123.04436	54.3
126.09171	6.9
130.09740	0.4
131.32317	0.4
131.73433	0.4
136.07584	0.7
137.06010	1.1
164.07048	2.5
165.05489	6.3
185.42218	0.4
185.70967	0.5
218.11783	3.5
235.14447	4.6
236.12822	18.8
253.15500	9.7
273.41571	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.5
53.06181	0.3
53.78216	0.3
55.01875	2.4
55.05511	4.8
55.73214	0.3
56.67342	0.3
57.03446	1.0
57.07077	0.8
61.28304	0.3
65.03918	0.4
67.05503	2.4
69.03432	1.6
69.07066	1.6
70.06593	0.4
70.09624	0.3
70.50372	0.6
70.50707	0.5
71.04987	0.5
72.04530	0.7
79.05498	4.3
81.03419	0.5
81.07052	3.0
83.05003	0.9
83.08631	1.2
84.04504	1.8
85.06525	0.8
89.16410	0.3
89.93708	0.4
91.05486	15.6
93.07049	5.9
95.04964	1.9
95.08613	2.9
97.06537	0.9
98.98471	36.6
99.04456	0.4
99.08103	0.5
100.11252	4.3
100.98904	0.6
101.06044	0.4
103.05464	0.8
105.07036	60.9
106.07373	0.7
107.08606	5.3
109.02913	0.7
109.06509	0.8
109.10174	1.4
111.08082	1.1
115.05470	1.6
116.99521	0.6
117.07040	1.7
118.07817	1.4
119.05003	0.5
119.08591	6.7
121.06526	0.9
121.10165	1.2
123.04454	0.3
123.08076	2.1
123.11713	0.5
125.09644	2.3
127.03902	0.3
127.31203	0.3
129.07021	0.7
131.08571	5.4
133.10135	100.0
134.10437	0.8
135.08058	0.5
135.11682	4.4
137.09634	0.8
143.08553	0.6
145.10149	0.7
146.07248	0.4
147.11714	0.4
151.11209	1.1
154.12286	2.1
157.10115	0.6
159.11732	0.6
161.09625	22.6
161.13252	0.7
163.11230	1.1
165.07042	0.8
169.10187	0.5
171.14934	4.5
174.99289	0.7
175.11229	0.6
175.14842	0.4
176.99011	0.6
179.10672	4.6
181.06512	0.7
182.15427	0.5
183.11668	0.5
189.12613	0.5
189.16470	0.6
193.06493	0.5
193.10323	0.4
195.08037	0.3
199.14792	0.5
207.08176	0.4
207.10133	0.6
210.06793	0.9
217.16010	0.5
221.06001	0.6
223.45937	0.3
225.09140	0.6
235.13315	1.5
235.17009	1.1
238.06194	0.4
253.04816	0.4
253.08531	3.2
253.12181	0.9
253.14337	4.0
253.19455	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	253.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.6
55.01873	3.2
55.05507	4.9
56.36679	1.3
56.96575	10.1
57.03434	3.4
58.62601	1.3
60.04520	6.0
61.02920	3.0
67.05521	1.5
69.03423	9.0
69.07059	2.0
69.93436	6.2
70.06609	12.0
70.98116	1.4
71.05005	1.9
72.08163	64.1
73.02921	3.3
73.06564	14.5
81.03421	5.1
81.07064	1.7
84.04504	5.6
84.08150	9.1
85.02912	38.2
85.29619	1.2
86.09711	5.2
89.10804	15.4
91.03963	2.0
91.05511	3.2
95.05011	2.0
97.02917	11.8
98.21527	1.7
98.97604	6.6
98.98476	100.0
101.00874	2.3
102.96913	2.2
103.05473	4.6
109.02884	4.4
110.07171	18.0
110.43128	1.3
110.97566	2.1
112.07631	1.8
116.07092	2.1
116.98639	1.7
116.99469	1.6
119.01875	2.6
120.08118	81.9
123.04438	33.3
126.09167	3.6
127.03960	8.9
129.10246	3.5
136.06224	1.8
136.07588	7.4
143.01935	2.2
145.03548	1.3
145.04993	7.7
147.11316	1.5
150.05502	5.8
155.01839	2.0
156.07635	3.2
158.99797	1.3
161.02969	2.1
163.03973	2.0
164.07126	2.6
165.05484	5.3
166.08618	1.8
172.61067	1.4
174.99174	2.0
175.11943	1.5
176.98924	1.4
212.07671	1.7
235.12164	2.6
235.14545	3.4
235.80408	1.5
236.12839	11.9
253.08946	2.4
253.11885	4.4
253.15552	5.7
257.01501	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0708
Annotation	Desmethyldiaportinol
Peak:m/z	Relative Intensity
52.61197	0.7
53.03942	1.9
55.01875	20.4
55.05492	1.5
56.65477	0.7
57.07073	0.7
63.83007	0.6
67.05499	1.7
68.99781	1.7
69.03413	1.9
69.07056	1.4
69.13903	7.0
77.03918	0.8
78.17876	0.6
79.05501	6.3
81.07065	5.6
83.01341	2.1
83.04980	0.7
83.08611	1.2
85.06525	1.0
91.05494	5.5
93.07063	6.8
95.04963	2.9
95.08634	3.5
97.06519	1.4
98.98473	83.4
100.98858	1.3
103.05473	3.8
105.03413	1.2
105.07017	3.8
107.04942	3.1
107.08585	2.2
109.06537	5.4
109.10142	1.3
111.08129	1.7
115.05433	0.9
116.99487	1.0
119.04951	2.5
119.08595	2.1
121.02883	1.1
121.06519	8.7
123.04440	3.4
123.08067	1.6
125.09624	2.0
131.04935	3.5
133.02861	2.7
133.06491	1.6
133.10103	2.5
135.04430	15.1
135.11671	0.8
136.05234	0.9
137.05986	10.4
145.02841	2.7
145.10170	0.7
147.04373	3.3
147.11618	1.0
149.05992	67.6
151.07567	5.2
155.08443	0.9
157.10075	0.7
161.02371	2.0
161.05965	2.3
161.13231	1.2
163.03909	7.5
163.07573	1.0
164.04686	1.6
165.05493	15.5
165.12794	0.9
167.07007	1.4
174.99242	1.5
175.03929	4.7
176.98972	1.1
177.05482	34.9
178.02620	2.1
179.03418	1.9
179.07045	25.5
181.05023	0.8
187.03839	0.8
192.04199	0.9
193.04980	83.6
197.11734	0.8
205.04977	13.6
207.06528	39.9
210.06828	1.0
215.51221	0.7
217.15883	0.8
221.06091	0.9
235.06021	100.0
235.16885	2.0
236.06430	1.6
253.06978	20.6
253.15933	1.3
253.19673	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.4
58.72260	0.2
67.05487	0.2
68.05514	0.2
69.03419	0.6
70.06577	0.9
70.62434	0.6
72.08154	0.3
73.01116	0.4
74.66397	0.2
75.24786	0.2
76.43600	0.2
79.05481	0.9
81.07045	0.6
84.04509	0.4
84.08124	0.7
85.02865	0.2
86.06046	0.9
86.09698	0.6
86.65566	0.2
87.00862	0.3
87.04448	0.6
91.05478	0.7
93.07038	0.9
95.08636	0.2
96.04456	0.3
98.98471	4.9
102.84011	0.2
103.05474	0.7
104.03451	0.8
105.07035	0.5
106.06544	1.1
107.04976	1.5
107.07367	0.3
108.08109	0.4
108.31633	0.2
114.39883	0.2
118.06548	0.9
120.08112	9.4
121.06467	1.1
122.09685	0.2
122.20885	0.2
124.03970	0.3
124.04856	0.2
128.43105	0.2
129.10201	0.4
131.04933	0.7
132.08084	0.3
133.08879	0.4
136.06187	6.0
139.04510	0.7
146.05997	1.5
146.09540	0.3
148.11180	0.5
149.05997	2.1
152.07098	0.2
163.04524	3.0
163.78346	0.2
164.05304	9.4
164.07028	1.3
165.06094	4.8
166.08801	0.2
178.12244	0.5
180.06580	0.7
181.09125	0.2
188.07109	1.3
192.04755	0.2
192.06500	0.8
192.08490	0.4
194.02693	0.7
206.08110	4.4
206.09998	2.6
206.11784	1.2
208.04271	21.0
208.11598	0.9
209.05055	7.8
209.07047	0.5
210.05803	2.8
224.11023	0.8
224.12897	0.4
234.11253	0.7
234.13544	0.9
235.05986	0.3
252.10532	100.0
252.14719	2.9
253.10825	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	252.087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84173	0.6
51.08004	0.5
55.05510	1.4
57.07104	0.6
57.69276	0.5
67.05505	0.9
68.99796	0.8
69.03426	1.3
69.07075	0.9
69.48949	0.5
70.02952	0.8
70.06604	1.5
70.11014	2.1
72.08148	0.5
79.05502	1.0
81.07047	1.4
81.94226	0.6
83.82869	0.6
84.08150	1.2
85.08466	0.5
86.06087	1.2
86.09711	2.0
87.00829	2.5
87.04478	1.7
91.05004	0.6
91.05480	3.4
92.59474	0.5
93.07059	4.3
95.04963	1.2
95.08640	0.9
98.06062	0.6
98.98476	21.0
103.05472	8.3
105.07033	1.9
106.07393	0.9
107.04979	0.9
107.08611	1.0
109.02834	0.6
116.05769	0.6
117.07085	0.7
118.06557	10.3
118.07355	1.1
120.08114	100.0
121.06525	2.2
121.08436	0.8
121.10181	0.6
123.08133	0.6
124.03926	0.7
125.09647	0.9
128.04947	1.4
128.20412	0.6
131.04990	0.7
136.06200	13.5
136.07442	0.7
138.05408	0.6
146.06017	17.8
148.07607	0.6
149.06004	4.4
150.09218	0.6
160.07628	0.9
160.12056	1.1
164.06941	3.2
166.08658	2.1
178.08731	0.6
178.12231	0.7
180.06592	1.0
188.07077	18.3
192.07455	1.3
206.08141	52.9
206.11864	2.1
207.08472	0.7
220.06949	1.9
224.12857	1.9
234.07716	1.0
234.11296	2.4
234.13503	1.5
252.09496	2.8
252.12315	1.2
252.14453	4.3
252.16739	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2372
Annotation	(+)-12-(2-Cyclopenten-1-yl)-2-dodecanone
Peak:m/z	Relative Intensity
53.03950	0.7
55.05272	0.6
55.05514	8.0
56.93679	0.3
57.03441	8.5
57.07080	9.9
59.05013	0.7
62.13865	0.3
65.03934	0.8
67.05510	19.8
69.07071	9.1
71.04985	1.3
71.08633	6.8
73.06567	0.7
73.95399	0.3
75.26141	0.4
77.01586	0.6
78.69295	0.5
79.05495	4.4
81.07063	20.3
83.04967	0.4
83.08634	3.8
85.06553	2.6
91.05489	1.1
93.07040	4.5
95.04937	0.5
95.08612	27.5
97.06541	0.7
97.10182	3.0
98.98473	100.0
99.08121	0.8
107.08607	1.8
109.10161	10.8
111.11680	0.7
116.99489	2.0
121.10143	4.6
123.11729	1.8
135.11671	2.4
137.13321	0.5
140.01125	0.9
141.12759	4.1
151.14844	1.6
169.15886	26.0
174.99242	2.5
183.17409	1.0
195.11662	0.4
205.05081	0.4
205.98750	0.8
209.13254	0.4
211.24756	0.4
225.59955	0.4
233.22598	1.1
251.04875	0.5
251.14325	0.8
251.18173	0.6
251.23738	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2007
Annotation	roughanic acid
Peak:m/z	Relative Intensity
50.19476	0.4
50.42245	0.4
51.37962	0.4
51.63691	0.4
53.03937	0.9
53.67836	0.4
55.01877	15.6
55.05515	11.3
57.03433	0.8
57.07082	4.0
59.05016	0.4
65.03937	0.6
67.05508	17.9
69.03437	0.9
69.07070	5.0
69.57618	0.4
70.88176	0.6
70.88507	0.7
71.04994	1.2
71.08636	0.4
73.69231	0.4
77.01622	0.5
79.05498	10.2
81.07063	16.8
83.04981	2.9
83.08624	2.9
85.06552	2.2
91.05486	4.0
93.07050	14.5
93.37473	0.4
95.04994	0.9
95.08619	11.8
97.06535	1.4
97.10176	5.6
98.98474	100.0
105.07030	2.2
107.08604	8.7
109.06503	1.0
109.10166	8.3
111.08092	2.0
116.99518	1.3
117.07024	1.2
118.54005	0.4
119.08609	1.7
121.06541	0.7
121.10146	7.5
123.08102	0.7
123.11724	3.5
125.09635	17.2
131.08557	2.1
133.10156	2.3
135.08069	1.8
135.11702	5.7
137.09660	1.3
137.13225	0.9
140.01126	0.7
145.10143	1.6
147.11722	0.7
149.09604	2.2
149.13289	1.8
151.11211	0.6
152.04655	0.4
153.09137	0.9
153.12769	1.6
159.11745	1.5
161.13263	0.6
163.11188	1.1
167.10742	0.9
173.13312	0.5
174.99205	2.9
175.14862	0.6
177.12726	0.4
181.32390	0.5
189.86545	0.4
191.17966	2.3
195.13924	0.6
198.71475	0.5
201.43250	0.4
203.18065	0.5
205.19550	2.1
215.17940	2.5
223.20581	0.8
233.19000	3.6
251.04906	0.8
251.14296	0.8
251.16281	0.9
251.17728	0.9
251.20097	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	251.0552
Annotation	2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-2,4-dienoate
Peak:m/z	Relative Intensity
53.03943	0.6
55.01868	1.2
55.05511	1.8
56.15784	0.4
57.03440	0.6
65.03946	1.2
67.05513	1.7
68.99794	1.8
69.03429	1.6
69.07078	1.3
69.34756	3.6
70.06628	1.1
71.04974	0.6
72.08165	1.8
77.01606	0.6
77.03938	0.7
78.04699	0.5
79.05497	3.5
80.05826	0.5
81.03418	0.6
81.07057	2.2
83.04997	1.8
84.08169	0.8
85.06541	0.8
86.09707	1.1
89.03920	1.0
91.04901	0.8
91.05484	17.0
92.05788	0.5
93.07031	2.7
95.04974	1.7
95.08614	2.1
97.06544	3.2
98.06889	0.5
98.20788	1.1
98.98471	85.2
99.04466	0.7
103.05432	2.5
105.03396	1.0
105.07021	2.5
106.04149	0.6
107.04978	1.2
107.08611	2.8
109.06521	1.8
109.10177	0.7
111.04423	0.7
111.08076	0.6
113.06001	0.8
115.05468	1.7
115.44693	0.4
117.03367	0.9
117.07032	1.6
118.04164	1.1
119.01352	0.5
119.04951	9.7
119.08607	1.0
120.08113	2.0
121.02907	0.5
121.06517	3.9
121.10124	1.1
123.08081	1.4
125.06034	0.8
125.09665	0.7
131.04922	1.9
131.08568	1.6
131.82475	0.4
133.02873	0.9
133.06491	2.1
133.10138	1.7
134.03618	1.3
135.04430	1.5
135.08026	1.3
135.11671	0.6
137.06003	2.4
137.09634	1.0
137.13338	0.6
138.06311	0.8
145.02850	1.3
145.06482	1.4
145.10065	0.7
146.05975	0.5
147.04416	15.6
147.08038	1.1
147.11871	0.5
149.05952	2.2
149.09616	2.0
153.09052	0.7
159.04480	0.5
159.11720	0.7
161.02383	0.8
161.05957	0.9
162.03120	4.5
163.03926	2.9
163.07568	2.7
165.05499	0.6
168.64053	0.5
169.10159	0.5
173.00883	0.4
173.02351	1.6
173.06015	0.9
173.09691	0.7
173.13300	1.3
174.99255	2.4
175.03915	95.3
176.04272	1.2
177.01913	0.7
177.05484	5.2
177.12715	0.5
179.03453	0.5
179.07062	0.5
180.10196	1.0
184.15681	0.6
187.14796	1.0
189.01913	0.9
189.05418	0.8
190.02617	12.6
191.03424	1.4
191.07019	6.7
191.08615	0.9
191.10638	1.0
191.14378	0.7
193.04996	2.1
201.01869	0.6
201.05499	0.6
203.03444	0.6
205.04971	77.7
205.15831	0.7
206.05304	0.9
207.02919	0.7
215.14246	1.4
218.02124	7.2
219.02704	0.6
219.06477	3.5
233.04454	54.0
233.15390	2.1
234.04785	0.9
234.11993	1.8
251.05507	100.0
251.09058	5.1
251.16167	3.3
251.18404	1.0
252.05882	1.5
260.51663	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.0713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.8
55.05520	0.6
63.01786	0.4
64.32375	0.5
67.05518	0.6
69.03466	0.5
69.22083	3.9
70.06593	4.5
72.08150	2.4
73.08524	0.7
75.87194	0.5
79.05515	0.9
81.03419	0.8
82.01408	0.5
82.06615	0.5
84.04517	0.7
84.08172	2.2
85.02928	1.2
86.03281	0.5
86.09711	2.5
88.04001	1.3
91.05504	1.2
92.05856	0.6
95.02144	0.7
97.02926	1.2
98.98472	34.5
103.05474	7.3
110.07117	0.6
115.05476	0.9
116.99529	0.6
117.03390	0.8
118.04943	0.5
119.04990	1.2
120.05284	0.8
120.08129	1.1
121.06528	0.5
130.06563	1.3
131.04938	14.0
135.04439	3.7
136.06206	4.3
136.07545	0.7
143.04900	0.7
144.05292	1.0
146.05989	1.5
147.03229	1.0
147.04399	9.4
148.03827	1.0
148.04791	2.2
149.04805	1.3
149.05974	14.7
149.07129	1.1
150.05487	1.3
158.06052	2.2
159.04430	13.0
161.05988	4.6
162.06470	0.9
163.03891	3.3
174.99283	1.0
175.03926	3.2
176.07089	10.4
177.05482	34.4
178.04997	2.0
179.03423	1.1
179.05380	0.8
186.05498	2.0
189.09099	0.7
190.05852	1.3
204.06569	100.0
205.06895	1.7
206.08112	1.7
206.11760	3.9
207.02998	0.7
222.09285	1.1
232.07689	0.6
233.09981	1.4
250.07095	71.8
250.19963	7.6
251.05267	1.1
251.07588	1.1
267.96939	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.9
55.01858	0.6
55.05509	1.5
57.07085	0.4
59.46054	0.3
60.89027	0.3
64.56465	0.3
65.03938	1.0
67.05511	2.7
68.99796	0.6
69.03424	0.9
69.07070	1.4
70.06593	0.5
71.04987	0.9
71.48551	0.5
72.08128	0.5
79.05508	1.9
81.03432	0.5
81.07059	3.5
83.05019	0.5
83.08612	0.8
85.06560	0.7
85.29604	0.4
89.03916	0.7
91.05485	13.7
92.05809	0.4
93.07057	3.5
95.04966	1.4
95.08602	3.7
97.06528	1.0
98.98473	100.0
99.04459	0.5
99.15797	0.4
103.05476	6.8
103.33017	0.3
105.07026	2.6
107.04949	0.9
107.08605	3.0
109.06525	1.5
109.10149	1.4
111.08109	0.4
115.05450	0.7
116.99503	1.4
117.07017	0.6
119.04953	9.1
119.08575	1.7
121.06532	1.7
121.10157	2.3
123.04458	0.5
123.08060	0.9
123.11706	1.1
125.06023	0.7
125.09597	0.6
131.04947	0.7
131.08578	1.8
133.06490	0.9
133.10153	1.7
134.03661	0.4
134.65257	0.4
135.04442	0.9
135.08069	0.5
135.11708	0.8
137.05984	0.6
137.09650	0.6
137.13258	0.4
145.02873	1.5
145.03967	0.6
145.06522	0.9
145.10158	1.5
147.04419	22.2
147.11713	0.6
148.04755	0.4
149.05992	1.2
149.09624	1.0
149.13280	0.7
151.07687	0.5
155.08673	0.4
159.04482	0.4
159.11720	1.0
161.06018	1.2
161.13264	0.4
162.03162	1.4
163.03813	0.6
163.11250	0.8
167.10721	0.8
173.02370	2.8
173.13298	0.9
174.99249	3.0
175.03918	38.5
175.11107	0.5
176.04266	0.7
177.05530	1.1
177.09102	0.4
177.12715	0.4
177.16402	0.4
181.04950	0.5
187.14847	0.7
190.02592	2.5
191.07106	0.7
191.10703	0.7
193.08643	0.4
193.12106	0.4
194.02078	0.6
201.01845	2.0
202.02708	0.8
203.03409	10.5
205.04985	6.2
205.08559	0.6
205.15909	0.7
207.06609	1.6
209.04523	0.8
215.14374	1.0
215.18005	0.5
218.02077	2.3
219.08156	0.4
233.04471	22.4
233.11778	0.6
233.15381	1.5
233.19072	0.6
234.04689	0.5
251.05299	3.7
251.11024	0.6
251.12482	0.4
251.16245	3.0
251.20178	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1964
Annotation	Matrine
Peak:m/z	Relative Intensity
50.29593	0.1
55.01863	0.4
55.05505	0.8
56.05016	0.6
56.96551	0.7
57.03427	0.2
67.05505	0.3
67.38175	0.2
69.03418	0.7
70.06592	1.0
70.70744	0.4
70.98112	0.5
72.08158	6.0
74.06086	0.2
79.05434	0.2
81.03443	0.3
84.08140	1.2
85.02917	0.8
86.09689	0.5
87.00824	0.4
88.99141	0.3
91.05487	0.5
96.08132	0.4
97.02874	0.4
98.06052	0.7
98.09715	0.2
98.97559	1.0
99.04426	0.5
101.00850	0.2
104.05305	0.3
107.04929	0.2
108.08171	0.3
109.02815	0.2
110.07143	0.6
110.09657	0.9
112.07620	1.1
115.05466	0.7
116.98621	0.2
117.07008	0.3
119.01807	0.2
119.08629	0.2
120.08131	0.3
122.09672	0.2
124.11214	0.2
125.88988	0.2
127.03915	0.4
128.98634	0.4
133.03223	0.2
133.06474	0.3
134.09653	0.2
135.04419	0.4
136.11209	0.3
136.91011	0.1
138.12798	0.3
143.04915	0.6
146.99657	0.8
147.04407	0.7
148.07619	0.3
148.11215	5.3
150.05768	0.7
150.12790	2.2
152.14322	0.6
161.05943	1.5
161.09598	0.3
165.00685	0.2
166.12343	0.2
175.07585	0.3
176.10760	0.9
178.05019	0.6
187.03951	0.2
189.02425	0.3
189.05444	1.0
190.12233	0.6
190.15761	0.2
201.20282	0.2
204.06578	0.2
204.13799	0.3
205.00159	0.3
218.15369	0.3
231.03018	0.4
231.18446	0.2
232.09682	0.3
247.18066	3.9
249.19624	100.0
250.19963	2.1
257.31876	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1852
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03926	8.5
53.34828	2.0
55.01866	4.4
55.05515	17.0
56.96552	2.6
57.07052	6.1
57.23354	2.5
65.03944	2.9
67.05193	2.5
67.05509	34.8
69.03400	2.4
69.07079	16.6
69.82430	6.1
69.82838	5.2
70.06554	3.4
71.04977	6.3
72.08121	8.4
73.02898	2.1
79.05502	98.7
81.07071	44.7
83.08604	8.2
85.06530	4.5
91.05484	42.0
93.07053	100.0
95.04942	6.6
95.08620	32.1
97.06533	2.2
97.10150	3.0
98.21467	3.1
99.04418	3.6
105.07037	30.9
107.08602	53.2
109.06504	4.4
109.10142	17.1
113.06036	2.6
117.06985	5.9
119.08590	26.6
121.10146	46.8
123.08056	6.7
128.06206	2.1
129.06970	7.1
131.08528	9.9
133.10152	30.1
135.08049	3.6
135.10730	3.3
135.11703	43.9
135.12711	4.4
137.09613	2.2
143.08582	4.3
145.10114	8.4
147.11691	28.7
149.09561	3.5
149.13303	10.3
157.10083	5.9
157.88904	2.2
159.11708	3.4
161.09598	6.6
161.13217	3.3
165.36052	2.6
169.29056	2.4
171.11627	9.8
175.11128	4.1
178.05016	5.4
179.10651	3.4
185.13237	2.3
187.14801	4.8
189.12717	5.9
189.16374	12.1
193.12239	6.0
203.14230	3.1
203.17937	4.6
207.13788	5.9
213.16409	12.3
220.14154	2.5
231.17366	10.3
232.09674	4.6
249.07553	2.5
249.14513	4.5
249.18481	74.2
249.21501	3.4
256.01971	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.01863	1.6
55.05506	0.7
56.96580	0.4
57.03426	0.7
69.03130	0.5
69.03438	4.3
69.07068	0.5
70.06593	2.5
70.81833	1.0
72.04524	5.0
72.08160	19.2
73.02892	0.5
73.57058	0.4
74.06093	0.4
79.05499	0.8
81.03424	2.6
82.91329	0.4
84.08128	1.6
85.02915	5.4
86.09709	27.7
87.00848	2.1
91.05486	10.7
91.88427	0.4
93.07087	0.7
95.05003	0.6
97.02886	2.3
98.06037	0.8
98.97598	0.7
99.04449	1.3
103.05474	0.7
103.12350	21.8
105.01881	1.0
105.07028	1.7
107.04980	0.5
109.02876	1.2
110.07147	0.8
111.04414	0.5
115.05462	8.4
117.05748	0.5
117.07026	0.9
118.05063	5.3
118.06550	9.7
119.04945	25.1
119.08575	0.5
119.17557	0.4
120.08118	1.2
123.04489	0.4
127.03922	2.1
129.07056	0.7
129.10237	2.8
130.06520	0.5
132.08101	21.7
133.06505	1.3
135.04401	1.1
136.07611	0.7
136.11168	0.4
142.06525	0.6
143.04935	17.2
143.07281	1.1
144.08093	4.5
145.06429	0.7
146.04836	0.7
146.06024	20.1
147.04416	100.0
148.04767	1.0
148.11206	0.6
155.06078	0.5
157.06442	0.7
160.05229	0.9
160.07626	0.7
161.05994	19.3
161.09598	0.8
163.03986	0.7
170.06035	1.7
171.04424	6.9
173.05978	0.8
175.03957	2.6
175.07588	1.3
177.05466	0.8
180.97360	0.5
187.03845	0.6
188.07072	23.8
189.05481	37.0
190.05666	0.4
199.03928	0.6
203.07030	2.0
203.11778	1.2
204.10182	0.5
206.11800	0.5
217.05000	0.7
218.11789	6.6
231.02933	0.4
231.06592	1.7
232.09764	1.7
232.13254	0.9
243.96689	0.7
247.18056	0.9
249.07533	5.1
249.12766	3.8
249.16011	26.5
249.19666	39.2
250.16536	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09441	0.5
52.90651	0.5
53.03928	0.5
55.01871	3.0
55.05508	0.6
56.05025	0.9
56.96539	0.7
57.03423	1.1
57.48428	0.5
59.04990	0.6
61.02907	1.0
65.03934	0.7
66.61803	0.5
67.05479	0.7
69.03430	9.4
69.07064	0.6
69.82964	1.4
69.83373	1.6
70.06590	3.7
71.04984	1.8
72.04113	0.6
72.04517	14.7
72.08157	20.3
73.02927	1.2
74.06091	0.9
77.03929	0.6
79.05484	1.4
81.03423	4.8
81.07053	1.0
84.04497	1.4
84.08139	2.8
85.02908	10.6
85.08514	0.6
85.66333	0.5
86.09705	25.5
87.00814	3.9
88.99264	0.5
91.05476	10.8
93.07014	0.9
95.08600	1.1
97.02892	4.7
97.12184	0.5
98.06046	1.7
98.97591	1.0
99.04443	2.3
100.03967	0.8
103.05502	0.6
103.12341	17.4
105.01860	2.4
105.07040	3.4
107.08607	0.6
109.02896	3.1
109.10173	0.6
110.07156	1.3
111.08107	0.6
112.07622	1.3
115.05454	16.2
117.05749	2.3
117.07021	2.6
118.05039	15.6
118.06539	27.2
119.04941	25.0
119.05798	1.3
119.08617	1.1
120.08110	2.2
121.06513	0.7
123.04439	0.6
123.08036	0.9
125.49593	0.5
127.03936	4.8
129.07013	1.5
129.10263	2.1
130.06572	1.0
131.04930	1.1
131.08636	0.9
132.08090	59.5
133.02853	0.7
133.06459	2.6
134.21625	0.6
135.04434	1.5
136.07535	1.0
137.02385	0.8
139.03876	1.3
142.06563	2.7
143.04927	34.0
143.07300	2.4
144.05322	0.8
144.08092	12.7
144.09232	0.7
145.04962	0.8
146.06010	58.0
147.04411	100.0
147.11720	0.7
148.04712	0.7
148.11160	1.3
151.99988	0.6
152.14354	0.8
157.06500	1.0
158.08351	0.6
158.99754	0.6
159.04411	0.7
160.05185	2.3
160.07584	1.1
161.05983	33.5
161.09579	1.3
163.03894	0.7
170.06006	4.5
171.04425	10.9
173.06052	0.7
175.03912	4.9
175.07523	2.2
177.05417	0.7
178.04991	1.7
188.07068	65.4
189.05473	67.5
190.05893	0.8
199.03864	0.8
203.07024	2.9
203.11856	3.5
204.06657	0.6
204.10207	1.2
206.11794	1.6
217.04936	1.5
218.11775	5.7
231.02979	0.8
231.06529	3.4
231.10571	0.7
232.09648	2.6
247.18152	1.7
249.03688	0.8
249.07526	9.1
249.12387	10.8
249.15985	22.3
249.19652	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	249.1123
Annotation	3,4-dihydroxy-5-prenylcinnamic acid
Peak:m/z	Relative Intensity
53.03940	1.0
55.01878	27.0
55.05503	2.5
57.03426	0.8
67.05493	1.5
68.99787	2.7
69.03445	5.9
69.68176	3.0
69.68591	1.7
70.06561	0.8
71.04987	1.0
72.08138	2.0
73.02889	1.0
79.05478	1.4
81.03407	3.2
81.07057	0.8
83.04972	0.9
85.02911	7.9
87.00820	2.4
91.05453	3.4
93.07030	1.8
95.04994	0.9
95.08572	1.0
97.02896	3.3
97.06519	0.8
99.04453	2.2
103.05453	1.3
105.01836	0.9
105.07049	4.0
107.04972	1.1
107.08604	1.2
109.02867	1.8
109.10184	1.0
115.05431	1.0
119.04939	2.3
119.08573	2.5
120.08122	1.1
121.06490	0.9
121.10138	1.6
123.04392	1.2
127.03958	4.0
128.06241	2.1
129.07019	1.2
131.08588	1.2
133.06497	23.6
133.10104	2.3
137.09636	0.9
143.08574	4.8
146.07292	1.0
147.04422	39.6
147.08022	2.8
149.05954	1.5
159.08022	1.3
160.05243	0.9
161.05992	25.9
161.09633	9.6
171.08057	13.7
174.06763	8.4
175.03922	10.6
175.07590	3.6
175.11183	2.7
176.04686	2.4
177.05495	1.6
177.09097	2.0
178.04935	0.8
179.05415	0.8
188.17363	0.9
189.03725	1.8
189.05495	56.1
189.09116	100.0
189.25404	0.8
203.10683	26.2
207.10243	0.9
214.15636	0.8
231.10185	69.8
231.13878	2.0
232.10042	0.8
249.11256	45.7
249.15285	1.7
249.19484	1.1
250.11528	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.076
Annotation	Tournefolin B
Peak:m/z	Relative Intensity
54.07924	0.4
55.01873	0.9
68.40187	0.4
69.03432	1.8
70.06577	0.5
70.62915	1.3
72.08155	2.5
79.05499	0.5
81.03409	0.6
81.07115	0.4
84.08149	0.6
85.02915	2.6
86.00681	0.5
86.09716	1.9
87.00848	1.0
90.32578	0.4
90.54269	0.4
91.05488	1.7
91.76810	0.4
91.78424	0.4
97.02905	0.7
99.04478	0.5
103.05467	0.6
103.12363	0.6
105.01899	0.5
105.07024	1.9
109.02928	0.6
115.05453	24.5
116.05842	0.4
119.04979	0.9
120.08099	0.4
127.03941	1.1
133.06490	1.9
134.06027	0.6
136.07509	0.5
143.04927	54.0
144.05409	0.6
147.04416	15.2
159.09239	0.7
160.05182	0.9
161.05981	48.2
162.06415	0.4
171.04416	18.5
175.03902	8.1
177.05545	1.0
178.05025	1.3
188.07184	0.4
189.05472	100.0
190.05803	1.3
199.03874	1.0
204.06609	0.9
217.04950	1.9
231.06529	0.9
232.09550	1.1
249.07576	11.2
249.12788	0.4
249.15851	0.8
249.19620	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	249.1123
Annotation	Isoevodionol
Peak:m/z	Relative Intensity
57.44282	0.4
58.84261	0.4
68.95573	0.3
68.99806	2.0
69.03428	0.9
69.07065	1.4
69.20546	4.0
79.05495	1.4
81.07038	0.6
85.02910	0.8
87.00837	0.4
91.05478	4.4
93.07067	0.5
95.05027	0.5
98.20724	0.8
103.05468	4.7
105.07027	1.2
107.04955	2.0
115.05466	1.1
117.07045	0.9
119.04959	4.5
119.08571	0.5
120.05746	0.5
121.10067	0.4
128.06271	0.9
129.07014	1.6
131.04941	0.8
131.08551	1.0
133.02884	0.8
133.06491	1.6
141.07030	0.7
142.07808	0.4
144.05693	0.5
145.06490	1.1
147.04425	8.5
148.05193	3.2
148.57045	0.4
151.03975	0.4
157.06438	0.6
157.10101	0.5
159.08060	1.0
161.06030	0.7
161.09608	0.7
163.03891	0.9
171.08214	0.6
174.06880	0.4
175.03923	63.7
176.04704	17.2
176.06320	0.6
177.05313	0.4
187.03970	2.7
187.07584	1.1
189.05496	2.3
189.09145	1.6
201.05489	0.5
203.10631	0.5
204.07852	0.9
231.10204	28.5
249.11243	100.0
250.11566	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0286
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	28.2
57.03434	2.1
58.85920	1.4
61.02936	2.3
67.99018	1.2
69.03429	2.1
70.17446	3.8
70.98124	73.5
73.02920	2.9
74.97604	2.3
77.27886	1.3
84.04475	1.4
85.02902	5.0
86.09711	6.4
86.97599	2.6
88.98642	2.4
88.99168	40.5
97.02893	4.4
98.18850	1.4
98.20718	1.2
98.97589	100.0
100.99201	2.4
101.00904	5.8
103.00625	1.3
107.00216	3.5
116.98627	23.2
127.04006	1.4
128.98615	61.5
131.00174	4.2
132.10176	2.7
134.99644	5.3
143.01866	3.0
145.08481	1.4
146.05020	6.2
146.99654	75.8
147.05046	8.4
149.01230	3.0
155.05527	5.3
158.99648	3.8
161.02960	2.0
165.00720	23.1
174.99149	1.5
177.00780	3.5
189.00714	66.2
202.70421	1.3
205.63654	1.5
207.01776	40.1
225.02882	3.7
230.87483	1.4
245.05136	2.0
249.02771	6.1
249.08507	1.8
249.10834	1.3
254.61870	1.3
267.03717	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0371
Annotation	Unknow
Peak:m/z	Relative Intensity
71.26649	27.9
81.20280	13.9
81.41431	12.0
94.93010	33.7
104.02908	13.7
138.48096	13.7
180.91333	12.4
195.21738	12.6
249.03778	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	248.1759
Annotation	y-27632
Peak:m/z	Relative Intensity
52.54450	0.2
53.03944	0.6
55.01861	0.3
55.05507	0.6
56.05040	3.4
64.44005	0.2
65.03959	0.4
67.05174	0.4
67.05508	4.2
67.33261	0.2
68.48785	0.2
69.03425	0.7
69.07068	0.6
69.41695	1.4
70.06593	2.9
71.01360	0.2
71.05001	2.2
72.08154	1.5
73.69345	0.2
74.06083	0.3
79.05496	0.5
81.03419	2.2
81.07055	0.7
82.06578	1.0
83.01382	0.2
84.04495	0.4
84.08146	100.0
85.02901	0.5
85.06536	1.0
85.08474	1.2
86.09702	4.0
91.05487	1.6
92.05801	0.5
94.06599	0.2
95.04976	1.8
96.08118	0.7
97.02882	0.3
98.06026	0.4
101.10773	1.2
102.09194	0.6
103.05481	0.8
105.07035	5.0
107.04980	0.7
107.08598	0.4
109.02889	4.3
110.07170	0.6
111.08047	0.2
111.09201	0.5
112.07617	1.5
115.05495	0.2
117.03402	0.6
117.07010	0.3
118.06544	0.7
119.04916	0.3
119.07327	0.5
120.08112	4.9
121.06478	0.3
124.07626	1.1
126.05537	0.4
127.03904	0.3
127.07752	0.2
127.08678	1.1
129.07030	0.4
129.10246	12.0
130.06485	0.5
130.08618	0.6
130.10606	0.8
131.04924	0.3
132.01132	0.3
132.08089	0.6
134.09628	1.5
136.07585	1.2
140.07077	0.9
141.77884	0.2
143.04947	0.4
144.08139	0.3
145.02861	1.7
147.04393	1.3
148.11226	0.7
149.05983	0.3
150.05498	0.8
150.07761	2.7
152.07040	0.6
158.09686	0.3
160.07535	0.5
160.11179	1.3
161.05972	0.4
164.07115	0.4
167.08514	0.3
170.08174	0.2
174.03957	0.5
175.07542	0.3
176.07071	0.4
177.05426	2.4
178.04980	4.1
184.07558	0.4
184.09711	0.3
184.11203	0.3
186.12798	7.6
189.05389	0.4
202.08775	0.4
203.15456	0.6
204.10266	0.2
213.13837	0.4
214.12262	1.0
220.09740	0.6
230.08624	0.4
231.10109	0.8
231.14928	18.8
232.09773	0.3
248.06546	0.5
248.09203	9.0
248.12807	2.3
248.15111	1.3
248.17557	11.2
249.15816	0.3
249.19615	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.092
Annotation	N-(4-Coumaroyl)-L-homoserine lactone
Peak:m/z	Relative Intensity
51.02373	0.6
53.03951	16.7
55.01877	6.1
55.05519	0.5
56.05032	1.2
59.88580	0.4
65.03946	2.2
67.05508	19.6
68.05032	0.7
68.06287	0.6
69.03426	1.4
69.07066	1.0
70.06603	1.0
71.04996	2.9
71.09365	0.7
71.09689	0.6
77.03922	0.5
79.05497	2.8
80.05011	1.0
81.03422	60.3
81.05820	0.5
81.07066	1.7
82.06580	0.5
84.08150	1.6
85.02917	0.6
86.06066	0.5
86.09719	0.8
89.89205	0.4
91.05500	1.4
93.05795	1.1
93.07037	0.5
94.06575	3.9
95.04967	10.6
95.08599	0.6
96.04498	1.6
96.08133	1.0
97.02900	0.6
97.06505	0.5
98.06073	1.7
101.66081	0.5
105.04503	0.9
105.07060	0.8
106.02917	1.1
107.07322	0.4
108.04475	0.9
108.08114	2.4
109.02148	0.6
109.02885	11.4
110.06062	2.3
112.07623	2.2
113.05986	0.5
117.05785	1.0
118.06463	0.5
119.08577	0.9
120.08154	0.8
121.06527	0.5
121.08911	0.7
122.06031	13.7
122.09686	3.1
123.04420	0.5
124.03951	3.9
124.04795	0.4
124.05228	0.8
124.07581	2.7
126.05519	1.3
130.06534	0.8
131.07329	3.0
131.08208	0.4
131.08539	0.4
132.08104	0.5
133.06497	1.0
134.06006	0.6
136.07588	0.7
136.11192	0.7
139.07530	1.2
140.07072	22.6
146.09656	3.3
147.04408	1.0
148.07593	0.6
150.05525	0.6
150.09174	3.3
151.23683	0.5
152.07076	51.5
159.06836	1.2
161.05995	0.8
164.07021	2.1
164.09442	0.8
164.10728	6.8
172.07227	0.5
174.09113	3.3
175.07460	0.7
176.07060	2.4
178.04991	4.0
178.08630	9.0
189.05540	1.5
189.09099	3.0
192.10196	24.9
201.25690	0.5
202.08600	5.1
203.10713	0.7
205.07315	1.0
206.08104	2.3
220.09695	37.1
221.31891	0.5
230.08891	2.6
231.10114	1.5
248.09193	100.0
249.09451	1.3
249.11388	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74288	0.9
55.05520	1.6
56.05033	2.4
56.96569	37.2
57.03428	3.8
60.04512	1.7
61.02922	3.9
66.74921	0.9
67.05492	2.0
67.65458	1.0
69.03420	4.3
69.07076	1.5
70.06590	6.9
70.42161	3.5
70.98117	8.8
71.01316	1.4
71.95265	3.0
72.08154	3.5
72.96042	1.3
73.02914	6.1
73.08495	1.8
74.06074	4.4
74.97618	1.6
81.03425	2.6
82.99854	1.5
83.97633	1.4
84.04517	2.3
84.08149	19.9
84.96027	1.3
85.02912	8.1
86.06080	1.1
86.09713	12.7
87.04459	1.2
87.10060	1.5
88.99160	4.6
91.05466	1.5
94.06605	1.8
97.02875	5.4
98.06037	1.2
98.97588	100.0
99.04412	1.1
99.97253	1.5
99.97916	1.9
101.00883	11.0
102.00955	4.3
103.00661	2.8
107.05011	1.5
110.07194	3.7
110.97621	1.9
113.00877	2.7
115.00661	1.3
115.02447	2.5
116.00240	1.2
116.02521	1.9
116.98624	39.4
117.01858	1.5
119.01927	14.5
120.02016	6.3
120.08073	1.9
121.01686	3.6
122.05994	1.3
125.02702	1.8
126.02310	1.2
127.02342	1.2
128.98611	6.7
129.00446	1.0
129.10249	3.9
130.04193	1.3
130.05029	5.8
130.08684	6.4
131.01909	2.6
131.96114	1.9
132.10245	1.6
133.01624	1.2
133.03506	2.6
133.97659	1.6
134.03589	2.6
134.99660	8.7
139.02475	2.0
140.03835	1.3
142.05409	2.9
143.01898	5.5
144.03363	1.2
144.05057	1.2
145.01675	1.9
145.03461	3.1
145.04955	1.2
146.99663	9.9
147.11288	2.4
147.99245	1.7
150.05569	6.3
151.02542	1.0
153.00874	1.1
153.02203	1.6
154.03870	3.4
155.01881	2.2
157.03496	3.1
158.04919	2.5
158.99663	3.7
159.02216	1.3
160.06538	3.8
161.02992	4.8
162.03108	2.6
163.02670	1.5
163.03964	1.3
164.03107	1.8
165.00751	5.0
167.01953	1.2
167.55515	2.0
170.03023	4.1
170.04922	1.2
171.01448	1.4
171.03270	3.6
173.02933	1.5
174.02840	1.2
174.46225	1.1
177.00764	2.0
181.03523	2.3
185.02950	3.3
186.03201	1.4
188.00975	2.1
188.02487	2.0
188.04086	3.8
188.05911	2.6
189.00830	6.0
189.02367	1.7
189.04437	8.4
197.02837	2.3
198.02475	2.1
199.04553	2.3
202.02635	1.6
203.03993	2.0
204.02936	1.5
206.00259	1.3
206.05318	1.7
206.06956	7.2
207.01746	5.3
207.05324	2.6
209.03102	1.1
212.04173	4.3
212.07654	2.6
216.00481	1.6
216.03723	2.4
218.02036	1.1
222.03180	2.1
224.08063	5.0
225.02512	1.8
225.04518	1.2
230.05093	12.0
230.07083	28.0
232.10539	1.1
245.05190	3.9
248.05954	7.9
248.08156	38.4
248.16103	3.6
266.09058	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2057
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
51.88983	1.0
53.03936	1.8
55.01867	2.6
55.05513	24.8
57.03447	1.1
57.07067	2.3
59.05000	1.5
67.05503	17.7
69.03390	1.0
69.07063	5.5
69.27621	1.6
69.28016	7.2
71.04974	2.1
72.08135	3.2
77.03950	1.0
79.05494	43.1
79.31899	0.9
81.03427	1.2
81.07053	16.4
83.04967	1.6
83.08625	6.5
87.58541	0.9
88.53798	0.9
91.05483	15.3
93.07050	31.2
95.04947	3.5
95.08603	9.6
97.10167	6.1
98.21537	1.6
98.98450	3.2
103.05480	1.0
105.07025	11.7
107.04955	41.4
107.08598	16.4
108.70013	0.9
109.06510	1.8
109.10159	8.9
111.08063	1.0
116.06226	1.0
117.07024	3.9
119.04947	1.4
119.08565	7.4
121.06514	3.4
121.10154	16.3
123.11659	2.3
125.09611	2.2
125.21352	1.0
129.07001	1.5
131.08565	8.8
133.10135	8.6
135.08060	1.6
135.11687	10.1
145.10153	4.9
147.04379	2.0
147.11670	5.2
149.09622	100.0
149.13274	3.5
159.11707	6.2
161.13255	3.2
163.03882	1.7
163.11169	4.1
163.14819	1.5
173.13274	3.9
175.03906	13.0
175.14874	1.3
176.04700	3.7
177.12790	2.3
177.16341	1.3
186.06830	1.4
187.14790	1.9
189.16299	1.3
201.16397	3.6
213.05461	1.6
214.06293	2.8
229.08540	11.8
229.19490	5.7
232.12213	1.0
246.35115	1.0
247.07187	1.5
247.09662	36.4
247.14905	2.7
247.16789	2.8
247.20578	88.9
247.24658	3.3
248.20955	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.5
55.01855	3.2
55.05514	25.0
57.03428	1.5
57.07059	2.3
65.03938	0.8
65.55942	0.7
67.05506	16.0
69.03405	0.9
69.07070	5.2
69.12996	1.6
69.13411	7.2
71.04986	1.7
72.08150	1.1
72.59205	0.7
73.33968	0.6
79.05495	47.0
79.34357	0.9
81.03407	0.8
81.06598	1.0
81.07061	14.7
83.04984	2.9
83.08627	5.1
85.06544	1.0
88.08474	0.8
91.05488	13.7
93.07048	28.2
93.07645	1.6
95.04971	3.6
95.08609	9.4
97.06527	1.0
97.10181	7.2
98.43368	0.7
98.98464	2.9
103.05450	2.0
105.07040	11.9
107.04958	42.0
107.08592	19.4
109.06493	1.4
109.10159	9.9
117.07001	4.3
119.04913	1.5
119.08578	7.9
121.06509	3.0
121.10149	15.5
123.08058	1.9
123.11699	2.0
125.09623	3.3
129.06966	1.7
131.04941	1.3
131.08577	7.9
133.10143	6.1
135.08054	1.5
135.11691	8.7
137.09634	1.7
145.10110	5.2
147.04407	1.9
147.11720	3.6
149.09625	100.0
149.13202	4.0
150.09888	1.1
151.11130	1.4
155.08588	1.1
159.11688	3.0
161.13264	3.6
163.03880	0.8
163.11232	3.7
163.14795	1.8
173.13231	2.0
175.03918	12.4
175.14867	1.4
176.04662	3.2
177.12730	2.8
178.05002	0.9
183.08084	1.1
185.05876	0.7
185.13336	0.8
187.14754	2.1
189.16391	1.0
191.14232	1.0
201.16443	2.1
205.15817	1.0
211.07495	0.9
213.05470	2.0
214.06215	1.5
219.21010	0.9
229.08531	10.5
229.10310	0.9
229.15869	1.5
229.19504	5.1
234.80397	0.9
247.09647	31.0
247.16788	3.0
247.20584	84.2
247.24712	2.8
248.09813	1.0
248.20860	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1291
Annotation	H-Glu(Val-OH)-OH
Peak:m/z	Relative Intensity
50.28477	0.5
53.03949	0.6
55.05519	8.0
56.05034	3.9
56.96570	6.3
57.05820	0.7
67.81049	0.5
68.05024	0.6
69.03445	0.6
69.07078	1.0
69.80491	2.4
70.06594	2.6
70.98150	0.7
72.08160	100.0
73.08476	0.9
84.04511	58.7
84.08147	2.3
84.96056	0.6
85.02916	1.7
85.08497	0.8
85.31554	0.5
86.09715	9.6
88.58095	0.5
91.05502	0.8
93.10635	0.5
97.02902	0.6
98.97596	7.9
102.05547	4.9
102.32909	0.6
103.00612	0.7
107.05001	0.7
110.97601	2.5
112.07615	0.6
114.05553	0.7
116.07125	1.0
116.98642	2.2
118.08663	47.9
119.01910	0.8
120.08102	0.9
128.98634	2.5
129.06982	0.6
130.05025	11.6
130.06534	1.3
131.00211	0.8
132.08109	0.6
138.09181	0.8
142.10585	0.6
146.06023	3.5
146.99672	1.7
147.11284	0.9
148.06093	1.3
149.01265	1.0
150.05525	0.7
156.10217	5.4
156.98087	1.3
158.06065	2.0
158.99739	2.3
161.01277	0.8
161.04799	0.7
172.07578	0.9
174.09256	0.8
174.99173	1.3
177.00795	1.0
184.09706	16.8
200.07173	1.2
201.00874	0.7
201.10336	1.5
201.12486	1.7
202.91934	0.6
205.00204	1.3
212.09195	0.7
218.08186	1.1
220.67433	0.6
221.02982	2.9
223.01216	1.2
229.08598	1.2
229.11882	1.2
230.08067	0.5
230.10233	10.9
230.12280	1.1
247.04625	1.9
247.10339	2.6
247.13005	11.8
247.18375	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0967
Annotation	7-Hydroxy-6-(2-(R)-hydroxy-3-methylbut-3-enyl)coumarin
Peak:m/z	Relative Intensity
55.05501	4.0
65.03945	21.7
67.05510	100.0
68.79012	1.4
68.99790	3.0
69.03397	1.2
70.06592	1.3
70.78835	2.9
72.08162	10.2
79.05466	2.9
81.07056	3.3
83.04999	2.1
91.05490	17.1
91.69498	1.4
93.03418	1.6
93.07033	2.0
95.08573	1.7
103.05453	2.9
105.07026	2.3
107.04967	25.4
107.08643	1.8
111.04435	9.4
115.05460	2.2
117.07021	1.5
118.04175	11.5
119.04951	29.8
119.08586	1.7
120.05845	1.5
120.08096	1.5
128.06218	1.3
129.06955	1.7
131.04926	4.9
133.02837	2.6
135.04413	4.5
137.05974	12.3
139.03912	56.2
140.01244	1.9
140.04153	1.6
142.07808	1.9
145.10114	2.8
146.03673	2.7
147.04416	6.1
148.05174	2.3
149.01746	2.4
155.08565	2.0
158.07289	1.9
159.04416	3.7
163.03922	94.1
173.06052	1.8
173.09572	1.9
175.03926	28.2
176.04710	9.0
176.14326	3.7
179.03352	2.4
183.08008	1.6
185.06029	2.8
185.09630	2.2
186.06760	2.2
187.03912	5.3
187.07538	2.4
191.03416	3.8
201.09084	1.8
203.10677	2.5
205.04796	1.8
205.08617	51.2
211.07558	1.7
213.05447	5.3
214.06215	8.5
217.10114	4.1
224.02271	5.0
229.08620	98.6
230.08766	1.5
232.12457	2.8
233.02840	2.3
247.09683	86.4
247.14755	5.9
247.16905	2.2
247.20642	3.1
247.24669	5.4
248.09851	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0967
Annotation	(R)-(+)-7-Hydroxy-8-(2-hydroxy-3-methyl-3-butenyl)-2H-1-benzopyran-2-one
Peak:m/z	Relative Intensity
55.05511	0.7
58.56839	0.3
66.78094	0.3
67.05508	1.0
68.99809	0.8
69.07065	0.3
70.06585	0.4
70.83348	0.3
71.48619	0.3
72.08163	2.8
79.05515	1.6
81.07061	1.7
81.76846	0.3
91.05486	1.0
93.07043	1.7
95.08595	0.9
97.93901	0.3
103.05467	0.5
105.07032	1.3
107.04953	1.0
107.08577	0.8
109.10198	0.3
114.79555	0.3
117.07014	0.5
119.04955	0.6
119.08591	1.0
120.08159	0.4
121.06489	0.4
121.10124	1.0
122.31538	0.3
125.09649	0.3
131.08572	1.2
133.10139	0.6
135.04454	0.5
135.08089	0.6
135.11697	0.9
137.02377	0.4
137.09627	0.4
145.10110	2.3
147.04393	0.5
147.11749	0.4
149.09543	0.5
149.13321	0.5
155.08522	0.6
159.11713	1.0
163.03935	2.5
173.09584	0.4
175.03912	7.0
175.15015	0.3
176.04767	1.8
176.14397	1.5
187.07492	0.5
187.14728	0.4
189.05449	0.4
191.03406	100.0
192.03723	1.3
201.16339	0.6
211.07553	0.8
213.05530	0.9
214.06287	0.9
224.02303	0.8
229.08594	5.5
229.19539	0.7
233.02837	0.3
247.09682	34.7
247.16765	2.3
247.20609	2.9
247.24641	1.4
248.09840	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0968
Annotation	(R)-(+)-7-Hydroxy-8-(2-hydroxy-3-methyl-3-butenyl)-2H-1-benzopyran-2-one
Peak:m/z	Relative Intensity
53.03951	1.1
55.05489	1.1
58.98983	0.4
59.79586	0.5
65.03947	0.7
67.05512	1.2
68.99772	0.9
69.03444	0.7
70.06599	0.8
70.10436	1.3
70.10841	1.1
71.04997	0.7
72.08160	2.6
73.06568	0.5
79.05489	4.2
81.03416	0.7
81.07069	1.1
84.08144	1.3
89.03905	2.1
91.05492	4.1
93.07052	1.2
95.04996	1.0
95.08595	1.0
103.05470	1.1
105.07010	1.6
107.04970	3.1
107.08590	1.0
117.01006	1.5
117.03385	1.8
117.07054	0.6
119.04939	2.5
119.08556	1.2
120.08105	0.7
126.01547	2.3
129.10248	0.6
130.07776	0.9
131.04941	1.0
131.08598	1.4
135.04416	7.0
140.01242	2.1
142.39761	0.5
145.02855	7.5
145.10130	1.1
147.04411	1.8
148.05154	0.8
149.01788	0.9
159.04337	0.7
159.08136	0.6
163.03918	22.4
164.04652	0.7
173.09596	1.1
175.03923	15.3
176.04686	4.9
187.03862	0.6
187.11148	0.9
189.05446	0.7
191.03409	91.7
192.03964	1.0
201.09158	1.2
201.16408	0.8
205.04974	1.0
211.07495	1.5
211.14789	0.6
213.05569	2.9
214.06250	2.5
215.01779	0.9
224.02290	6.1
224.52371	0.7
229.08583	13.8
229.12143	0.7
229.15790	0.7
233.03006	3.1
235.53108	1.2
247.09679	100.0
247.16861	2.1
247.24658	5.3
248.09944	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	247.0966
Annotation	Torachrysone
Peak:m/z	Relative Intensity
53.03939	0.4
55.05499	0.8
58.56180	0.3
59.04980	0.5
65.03906	0.4
67.05500	0.8
68.99780	1.8
69.03410	0.7
69.07068	0.5
69.62956	0.6
69.63374	1.1
72.08138	1.4
79.05490	2.1
81.03412	0.4
81.07027	0.7
88.07614	0.4
91.05492	2.0
93.03378	0.8
93.07024	1.0
95.01263	0.3
95.04955	0.9
95.08570	0.4
103.05447	0.9
105.07038	1.6
107.04941	2.6
107.08583	0.6
109.06545	0.4
117.07027	0.6
119.04913	1.0
119.08589	0.5
120.08080	0.5
121.02834	0.6
121.06493	1.0
121.10181	0.3
123.04414	0.5
126.01517	0.7
131.04883	0.6
131.08627	0.4
133.06474	0.6
135.04419	3.9
137.02348	2.5
140.01225	1.1
143.08598	0.4
145.02853	0.6
145.10104	0.8
147.04410	1.4
148.05157	0.6
149.06018	2.6
155.08595	0.5
159.04419	0.7
159.08051	0.5
161.05975	1.3
163.03902	5.9
173.09720	0.4
175.03911	8.1
176.04692	2.9
177.05467	0.5
179.03432	0.8
180.53395	0.3
189.05441	0.5
191.03395	39.7
192.03940	0.6
203.03389	1.5
203.06985	0.4
205.04968	14.8
207.12219	0.4
211.07570	0.9
213.05457	1.3
214.06206	1.8
217.04942	3.4
224.02330	2.9
229.08592	8.1
230.67784	0.4
233.02795	0.8
235.53114	0.7
247.09657	100.0
247.16881	1.4
247.24628	1.9
248.09949	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0966
Annotation	7-Hydroxy-6-(2-(R)-hydroxy-3-methylbut-3-enyl)coumarin
Peak:m/z	Relative Intensity
55.05501	1.8
57.03427	2.0
57.07077	9.1
63.73403	0.8
65.03934	3.4
67.05509	21.5
68.99793	4.8
69.32609	6.6
73.81174	0.8
79.05477	2.6
85.06548	70.5
91.05489	16.8
93.07043	1.2
95.04980	1.1
98.21589	1.6
102.55956	0.8
103.05467	2.0
105.07034	3.3
107.04962	23.0
112.98380	0.9
117.06951	2.1
119.04950	18.5
119.08581	1.0
128.06195	2.8
129.07021	1.4
131.04944	10.0
131.08565	2.9
133.02873	2.3
133.06471	1.3
133.10147	1.1
135.04413	2.9
135.08054	1.4
142.07774	2.0
143.08528	1.3
144.05711	1.0
145.06477	2.3
145.10101	2.5
146.03636	1.1
147.04424	6.4
148.05188	0.9
149.09555	0.9
150.43910	1.0
155.08560	7.9
158.07249	2.2
159.04431	23.3
159.08064	2.5
161.09627	2.9
163.03909	100.0
165.07014	1.5
167.08604	1.8
172.05273	1.2
173.02347	3.6
173.05959	3.4
173.09612	2.8
173.13153	1.1
175.03911	27.4
176.04648	3.3
178.02615	2.8
183.08083	3.3
185.05988	1.5
185.09529	1.7
186.06770	2.8
187.03946	8.6
187.05455	1.0
187.06012	1.3
187.07526	11.0
187.11154	2.1
189.05498	2.1
199.03926	0.9
201.05476	3.6
201.09096	5.4
205.08623	6.2
211.07573	7.2
212.32800	1.0
213.05412	2.2
214.06235	4.8
215.15715	1.1
229.08611	39.6
229.12105	1.6
247.09671	91.5
248.09889	1.0
264.38104	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0965
Annotation	7-Hydroxy-6-(2-(R)-hydroxy-3-methylbut-3-enyl)coumarin
Peak:m/z	Relative Intensity
59.22699	0.5
68.99785	1.7
69.64175	0.4
69.93472	2.5
79.05477	0.6
81.17265	0.5
91.05484	1.7
103.05447	2.6
105.07024	0.8
107.04922	1.0
113.04002	0.5
115.05491	0.7
119.04950	3.7
129.05264	0.5
129.73004	0.5
130.65224	0.5
131.04927	1.6
131.08643	0.7
132.98796	0.5
133.06522	0.6
141.07007	0.6
142.07802	0.9
145.06554	1.2
145.10089	1.4
147.04430	4.9
148.05188	2.2
155.08563	2.9
158.07260	1.3
165.07072	0.6
170.07280	0.6
173.06058	0.6
173.09601	1.4
175.03917	43.4
176.04691	10.0
183.08070	1.5
185.05940	1.8
185.09708	0.8
186.06738	1.8
189.05534	1.3
197.05931	0.8
200.04807	0.6
201.05476	1.1
201.09151	1.5
211.07524	3.0
213.05472	7.3
214.06265	8.4
227.07095	0.7
229.08615	36.3
234.93523	0.5
247.09673	100.0
248.10039	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0966
Annotation	Torachrysone
Peak:m/z	Relative Intensity
53.09743	0.4
54.34452	0.3
68.99783	1.6
69.35503	0.7
69.35912	2.2
79.05480	0.9
91.05469	1.6
103.05466	3.1
105.06973	0.6
107.04967	0.7
117.07017	0.6
119.04964	2.6
122.27288	0.3
129.07021	0.4
131.04919	1.1
131.08603	0.4
133.02849	0.4
133.06464	0.4
145.06476	0.6
145.10150	0.8
147.04376	3.8
148.05203	1.7
155.08537	1.4
158.07243	1.1
159.08003	0.5
165.07184	0.4
167.08534	0.6
169.06398	0.5
173.05917	0.5
173.09558	1.0
175.03920	39.5
176.04697	11.5
177.05539	0.6
183.08084	0.8
185.06015	0.8
186.06795	1.1
187.07613	0.4
189.05463	1.0
197.06046	0.5
200.04866	0.5
201.09048	1.1
211.07605	2.9
213.05499	5.4
214.06268	5.1
229.08618	25.4
230.08928	0.5
247.09674	100.0
248.10022	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0966
Annotation	Phellodenol C
Peak:m/z	Relative Intensity
53.02601	0.4
55.01863	0.7
55.05490	0.4
66.84025	0.2
67.05503	0.3
68.99781	1.1
69.22912	2.1
71.01342	0.6
88.49787	0.3
91.05469	1.0
91.67892	0.3
104.05930	0.3
105.07018	1.3
107.54288	0.3
115.05449	1.4
117.07007	1.2
119.04949	0.5
128.06200	1.2
129.07016	2.2
130.07800	0.9
131.04942	3.4
131.08578	1.2
133.06494	0.3
141.06973	0.8
142.07767	1.8
143.04900	0.3
143.08511	0.7
144.05696	1.0
144.69826	0.2
145.06499	2.5
145.10110	3.1
147.04414	1.2
148.05232	0.4
152.06221	1.7
153.07018	1.6
154.07768	0.3
155.03697	0.3
155.04880	0.3
155.06036	0.5
155.08571	5.9
157.06499	0.9
157.10129	0.3
158.07262	3.7
159.04434	0.7
159.08122	1.3
161.06004	0.3
165.07036	1.5
166.07706	0.4
167.08548	0.9
168.05739	0.8
169.06476	2.5
169.07704	0.4
170.07283	2.0
171.04419	1.3
171.07983	0.5
172.05148	0.7
173.05959	1.1
173.09625	3.2
175.03932	2.0
176.04697	1.7
181.06366	0.4
183.08051	3.5
183.09482	0.4
185.05992	5.2
185.09607	0.6
186.06747	3.5
187.03889	0.5
187.07564	1.0
189.05458	0.6
197.05984	2.1
199.03914	1.8
199.07573	0.7
200.04704	1.5
201.05466	1.2
201.09125	2.8
211.07562	8.1
211.86868	0.3
213.05476	20.3
214.06256	17.4
215.06529	0.4
227.07133	1.2
229.08609	100.0
230.08977	1.2
239.32159	0.2
247.09677	15.1
248.09883	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0966
Annotation	Decursinol
Peak:m/z	Relative Intensity
55.01853	0.4
68.99801	1.6
69.92921	0.9
69.93336	1.0
71.01360	0.4
73.06548	0.4
79.05495	1.0
91.05505	2.2
98.21452	0.4
103.05470	2.6
105.07004	0.3
107.04964	0.9
119.04974	3.1
125.41598	0.3
126.09846	0.4
129.07001	0.8
131.04936	1.3
131.08600	0.3
133.06575	0.5
145.06458	0.5
145.10117	0.7
147.04425	4.3
148.05232	1.9
155.08536	1.8
158.07268	0.9
159.08089	0.7
167.08611	0.4
168.05743	0.4
169.06482	0.6
173.09673	1.1
175.03923	38.6
176.04709	10.6
177.05463	0.6
183.08060	0.9
185.06047	0.7
186.06844	1.2
189.05501	1.3
199.03891	0.5
200.04668	0.8
201.09097	0.8
211.07558	2.3
213.05501	5.4
214.06259	4.9
227.07004	0.6
229.08617	25.3
230.08968	0.4
247.09683	100.0
248.10057	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0486
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96300	0.9
56.96572	17.3
57.03442	0.6
58.99876	0.6
61.02926	1.3
65.84288	0.7
69.03425	1.9
70.18140	2.4
70.98050	0.6
71.95270	2.1
73.02881	1.0
75.81216	0.7
77.00896	0.6
79.27483	0.5
79.80915	0.5
81.03420	1.0
82.99849	0.7
83.04945	0.9
84.96027	2.3
84.99589	1.3
85.02888	1.2
97.02888	3.0
98.97589	100.0
100.02517	1.1
101.00883	7.4
102.96897	1.7
103.00645	11.8
103.01287	0.8
109.02911	0.6
110.97570	5.2
113.00872	1.0
114.04037	1.2
115.00642	1.2
115.02478	1.2
116.44843	0.6
116.98627	44.0
117.02183	0.9
119.01933	12.5
120.02027	2.0
121.01674	20.6
125.01138	0.8
126.97057	2.0
128.98619	8.7
129.02147	0.6
131.01906	3.6
133.01668	3.7
133.03488	1.2
134.03522	0.7
134.99660	15.7
135.03217	1.3
137.02975	1.4
138.80563	0.5
138.97125	0.7
139.02631	3.3
140.00278	0.7
142.03558	0.8
143.00204	1.2
143.01909	5.0
144.02087	0.6
144.03293	0.7
144.98079	4.9
145.01634	8.9
145.03493	1.6
146.99658	10.7
147.03206	3.4
147.04297	1.0
149.01143	0.8
153.00784	1.4
155.01921	1.7
156.98111	4.5
157.01685	1.9
157.03502	2.7
158.99675	19.2
159.03227	5.0
160.99603	0.7
161.01167	0.5
161.01643	0.8
161.02972	7.9
162.03116	1.0
162.99210	3.7
163.02679	21.0
165.00734	4.8
167.98459	1.0
173.01291	0.6
173.02998	2.1
174.97708	1.2
174.99139	8.3
175.02753	3.5
175.04532	1.2
176.99216	1.3
177.00739	18.1
177.04143	3.0
179.00763	1.5
180.00949	1.8
181.00424	8.3
181.03630	1.0
182.99815	1.0
183.01306	3.2
183.49316	0.7
185.02977	1.6
186.99245	1.3
187.02708	5.3
187.04259	1.0
189.04320	2.1
191.04143	0.6
193.00175	2.4
193.03799	1.3
195.01872	1.0
196.01207	3.5
199.02757	2.9
199.04456	0.7
200.94043	2.4
201.00772	1.1
201.02475	15.2
201.04210	0.8
203.98058	0.6
204.00351	0.8
205.00240	10.2
205.03662	4.0
206.03040	0.8
212.97548	1.1
213.99083	0.8
214.95634	1.4
215.00299	0.7
216.95325	1.2
217.00241	1.1
217.03882	1.0
217.95319	0.7
218.94986	5.7
219.01709	1.0
219.03542	3.8
219.05421	1.2
221.01797	1.1
221.03728	0.9
223.01324	24.6
223.04820	1.3
224.02138	1.2
224.04066	9.0
229.00455	0.9
229.03955	1.0
230.93285	0.6
232.96729	0.7
236.95963	3.1
237.31952	0.6
241.02319	3.0
241.96886	4.0
242.01662	1.3
242.05093	1.0
247.01570	10.2
247.04945	15.9
247.09772	1.5
247.12012	1.0
256.96646	2.9
258.96518	1.6
259.96747	2.2
263.02982	1.0
265.02591	41.7
267.03070	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0426
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70628	1.5
54.99796	1.3
58.61948	1.3
70.97947	1.9
72.08166	4.1
73.80994	1.3
82.99867	1.8
101.00873	6.7
103.00655	1.6
119.01920	4.5
121.01701	1.8
168.99821	2.7
175.02760	2.2
187.00949	2.1
187.02571	2.0
196.99481	1.9
199.02734	1.5
229.03236	32.6
247.04303	100.0
247.94614	1.5
248.04660	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1863
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
55.01868	0.5
55.05505	0.9
56.05043	0.3
60.04512	0.4
67.05510	0.6
69.07069	1.5
70.06602	2.2
70.60888	0.4
70.61230	0.7
72.08130	0.4
80.05029	0.5
81.07050	0.4
83.04991	0.4
83.65974	0.3
84.08143	1.2
86.09711	100.0
87.10035	0.8
91.05500	0.8
93.07079	0.5
95.05009	0.4
98.97577	0.6
105.07048	0.4
107.08599	0.5
112.77039	0.3
113.06011	0.3
114.03788	0.4
116.98566	0.4
125.09640	0.4
128.06221	0.5
129.07022	0.4
131.08543	0.3
132.08020	0.3
132.10213	3.7
133.06523	0.5
141.06958	0.3
142.03236	1.0
143.08606	0.4
145.10164	0.5
147.04419	0.4
159.09193	0.4
167.10680	0.4
171.04454	0.4
171.07985	0.5
173.12987	0.4
175.03978	1.1
176.04744	0.7
181.06438	0.4
185.07127	0.4
187.03955	0.8
189.05522	0.4
199.07507	0.6
199.18044	1.7
203.07129	0.4
203.14162	0.3
217.05067	0.3
217.08597	2.2
227.08594	1.6
245.04556	0.9
245.07968	5.6
245.11595	0.3
245.15575	0.6
245.18657	3.6
262.89966	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.081
Annotation	Eriobofuran
Peak:m/z	Relative Intensity
51.56920	0.4
57.42142	0.4
59.04722	0.4
59.05002	6.9
61.52261	0.4
62.67708	0.4
69.41903	3.3
72.08154	0.8
72.76759	0.4
86.09698	0.6
98.21590	0.8
115.05502	1.1
131.04950	3.4
132.08153	0.5
143.04904	1.0
148.35576	0.5
155.83859	0.5
159.04424	1.9
159.08028	0.8
159.09163	0.7
162.26822	0.4
171.08148	0.5
175.03912	0.9
176.04695	0.9
186.06793	2.6
187.03917	26.1
201.09084	1.5
203.07094	0.8
217.08601	0.8
230.05750	13.4
245.08110	100.0
246.08406	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0812
Annotation	Eriobofuran
Peak:m/z	Relative Intensity
52.91661	0.3
55.01876	0.6
55.05499	0.9
57.03434	0.3
59.04721	0.4
59.05005	7.2
66.42970	0.3
66.60623	0.3
67.05500	0.7
69.03430	0.6
69.07053	0.6
69.20602	1.5
69.21028	1.4
70.06601	2.5
70.41511	0.3
72.08149	0.6
79.05488	0.7
80.05013	0.5
81.03414	0.4
81.07037	0.6
83.04993	1.5
84.08141	0.7
86.09711	4.8
91.05498	1.5
93.07036	0.4
95.04976	0.8
95.08658	0.4
98.20733	0.6
98.97587	1.0
100.11260	0.6
103.05418	0.4
105.03427	0.5
105.07031	0.9
107.04958	0.3
107.08569	0.4
109.08939	0.3
113.05991	0.8
115.05466	2.3
117.07038	0.5
119.04940	0.6
119.08577	0.8
120.08147	0.4
123.04428	0.9
125.09626	0.5
128.06238	1.8
129.07025	1.4
129.10197	0.5
131.04921	3.7
132.08104	0.8
133.06456	0.8
133.10139	0.4
136.52557	0.3
142.03217	0.8
142.06851	4.0
142.07860	0.5
143.04927	1.3
143.08546	1.7
145.06485	0.7
145.10127	0.8
147.04390	1.1
147.08064	0.7
151.03889	0.9
153.07031	0.5
157.06491	0.9
159.04379	1.5
159.08041	0.9
159.09167	1.6
161.09590	0.4
171.04401	0.7
171.08047	1.1
175.03873	2.4
175.07494	0.4
176.04654	1.1
181.06448	0.3
184.05225	0.4
185.05803	0.7
185.07220	0.6
186.06769	2.5
187.03906	22.4
189.09062	0.4
199.03896	1.0
199.07538	1.3
201.05426	0.4
201.08955	1.5
203.03349	0.6
203.07005	1.0
207.02943	0.5
213.05557	0.5
217.08563	3.6
227.06938	4.9
227.10573	0.5
229.04938	0.5
230.05743	11.2
245.08096	100.0
246.08472	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08667	0.7
54.00033	0.7
56.86243	0.7
56.96576	4.8
58.99858	2.8
62.58072	0.7
65.23006	0.7
68.98299	3.7
69.03412	3.1
70.06578	1.9
70.09138	0.7
70.99863	5.6
71.46507	1.0
73.02900	1.0
81.03417	4.3
82.99390	1.5
82.99843	15.5
84.08157	1.1
84.96044	0.8
85.01399	1.4
85.02917	0.9
86.99319	3.1
89.00889	2.1
94.99819	1.9
97.01402	2.8
97.02896	7.1
98.97592	7.5
101.00890	100.0
102.00974	1.8
103.02436	1.5
104.76839	0.8
109.01396	1.3
109.02860	1.8
111.00444	1.0
113.00123	1.2
113.00871	18.9
115.02459	7.4
116.98604	1.9
119.01930	80.5
120.02010	1.6
124.02460	0.9
124.95502	1.8
125.00886	2.4
127.02431	11.8
129.00343	2.6
129.03981	4.0
131.01921	20.5
133.03470	5.4
137.00870	6.2
137.02986	4.0
139.02417	7.2
141.03989	1.6
143.01912	52.0
145.03481	24.5
147.01416	5.0
147.45529	0.8
153.03972	1.9
154.54840	0.8
155.01909	38.5
156.02684	0.9
157.03482	30.0
158.03593	1.7
159.01378	0.8
159.05032	0.9
161.02971	62.6
162.03107	1.4
162.70819	0.8
163.04591	1.0
167.01915	23.4
169.03505	7.1
170.95992	2.3
171.04984	5.0
173.02982	29.5
174.03145	0.8
175.04568	10.1
179.01933	11.1
181.03587	1.1
185.02972	78.1
186.03130	2.4
187.04546	11.9
188.97055	3.5
189.06017	1.6
191.04059	3.9
197.02980	30.1
197.04816	1.6
199.04506	2.7
202.98628	0.9
203.02232	1.4
203.04018	27.7
204.04074	1.4
208.04575	1.4
209.02957	1.7
215.04030	10.0
217.05569	2.2
221.02943	2.8
221.05087	9.5
222.05267	2.7
227.04019	7.1
233.05070	2.4
239.06189	0.9
240.06244	1.3
245.05075	62.8
263.03757	1.2
263.06268	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	245.0061
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96575	5.1
62.49739	3.3
65.22656	3.3
67.09440	3.4
68.98282	4.7
69.63476	20.7
70.99866	7.7
82.99843	21.5
83.44275	4.6
86.96288	3.9
87.96329	4.1
97.02878	4.3
98.97580	11.7
101.00891	100.0
102.84990	3.4
111.02920	3.6
113.00875	22.5
115.02443	7.9
119.01933	89.9
124.95487	3.7
127.02438	11.3
131.01891	20.7
132.07625	3.7
133.03522	6.2
137.00838	8.5
137.02930	5.5
139.02409	11.2
143.01913	54.9
145.03464	25.8
147.01335	5.5
153.03880	4.5
155.01909	42.6
157.03461	41.5
161.02977	44.1
163.54549	3.9
167.01918	33.9
169.03468	8.1
171.04950	8.4
173.02985	23.3
174.74437	3.7
175.04498	6.4
179.01875	13.6
185.02960	94.7
187.04570	12.8
189.62447	4.0
197.03001	36.9
202.98611	4.5
203.04022	25.7
215.04007	10.9
221.05078	8.1
227.04030	8.1
244.20583	4.0
245.05034	52.2
263.06085	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	245.0061
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96138	1.9
56.96551	6.5
58.99860	2.6
68.98298	5.2
69.03426	4.4
70.06583	5.9
70.99847	7.9
71.24550	2.5
81.03405	3.6
82.01824	2.3
82.99826	12.6
84.04523	3.3
84.08140	7.4
85.02896	3.1
86.06016	3.4
86.99277	2.2
87.03555	2.4
95.90698	2.0
97.01403	2.3
97.02875	7.5
98.97582	5.9
101.00886	83.4
105.00359	3.4
112.05132	2.3
112.27376	2.2
113.00877	16.1
115.02436	7.4
119.01929	90.9
125.00813	3.0
127.02393	9.0
129.03914	4.9
131.01903	27.5
133.03453	9.8
137.00835	5.2
137.02960	8.4
137.71701	2.4
139.02393	7.1
142.03287	4.2
143.01907	36.5
145.03452	31.6
147.01375	3.9
147.04991	4.5
149.02866	2.7
153.03935	3.7
154.54906	2.8
155.01894	43.5
156.02658	2.2
157.03467	28.1
161.02950	47.3
163.04495	5.1
167.01921	27.7
169.03474	7.0
171.01439	2.6
171.05040	6.2
173.02962	38.5
174.99181	2.4
175.04510	12.1
179.01967	14.8
185.02954	100.0
185.04616	4.9
187.04572	12.8
191.04022	4.0
197.02963	28.9
198.10959	2.1
199.04433	3.7
203.02042	5.2
203.03984	28.3
215.04059	10.8
217.05690	2.6
221.02940	43.0
221.05066	14.0
222.03079	4.1
227.03983	6.3
239.03989	3.9
245.02858	5.3
245.04988	58.7
245.11346	3.3
263.03912	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	243.1592
Annotation	[1R-(1alpha,2beta,3beta)]-3-Hydroxy-2-(hydroxymethyl)-3-methyl-gamma-methylene-cyclopentanebutanoic acid methyl ester
Peak:m/z	Relative Intensity
52.71477	3.5
53.03929	6.8
55.01867	4.8
55.05507	17.8
56.05024	3.1
56.96569	5.5
57.03427	17.9
57.07077	8.5
65.03944	6.6
67.05511	18.1
69.03418	14.0
69.07082	19.4
70.06593	30.3
70.61780	6.7
70.62093	3.9
71.04984	22.0
72.08158	12.7
76.76652	4.0
79.05490	16.4
81.03419	7.4
81.07064	32.1
83.04981	27.8
84.04506	27.5
84.08150	25.7
85.08472	4.7
86.09718	61.6
86.67158	3.8
88.42219	4.1
91.05480	29.2
93.07055	62.7
95.04978	82.4
95.08609	27.1
97.06536	25.3
99.04474	39.7
105.07036	82.8
107.04960	4.5
107.08599	59.4
109.02913	6.5
109.06525	19.9
109.10159	19.6
110.07194	7.0
111.00850	5.8
111.04449	6.2
111.08087	10.6
114.90970	4.3
115.05437	5.6
115.89150	4.2
116.07028	4.1
117.07030	21.1
119.04935	12.5
119.08584	85.0
121.06525	8.1
121.10165	46.7
123.04449	4.1
123.08095	41.1
123.11700	7.7
125.06001	4.8
125.09637	23.3
126.03112	6.9
129.10242	15.8
130.07800	5.7
130.10576	9.6
131.08597	33.9
132.10197	3.9
133.02811	4.3
133.06503	5.1
133.10150	47.9
135.08047	9.0
135.11723	18.0
137.05940	6.6
137.09604	27.3
137.10545	5.2
139.11183	3.4
140.04672	14.0
141.05452	17.9
141.07047	6.7
142.03189	6.2
143.08559	14.1
144.09305	7.2
145.10141	53.3
147.04417	9.2
147.08038	4.6
147.11708	19.5
149.02376	12.5
149.09627	71.8
151.11183	12.3
153.09148	22.7
155.07051	10.8
155.08461	4.6
156.09372	6.6
158.06148	4.5
159.08018	6.3
159.11688	71.4
161.09630	3.9
161.13280	24.9
163.11215	32.4
165.12862	7.9
167.10672	100.0
169.04984	39.5
169.06412	7.8
169.12242	10.3
171.11711	16.6
177.12755	46.5
179.14346	4.3
181.04965	10.3
181.12256	10.2
187.07552	6.2
189.12747	20.7
195.13818	9.0
197.05940	15.0
197.07573	4.5
197.12930	16.2
207.13815	96.4
213.14864	8.0
214.07437	6.1
215.07028	35.3
225.05435	6.8
225.07434	4.4
225.14848	59.7
243.06393	37.5
243.11415	8.1
243.13698	6.9
243.15857	46.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96577	10.4
57.07067	35.4
63.18835	10.5
67.05505	17.6
67.65865	8.6
69.38737	41.9
69.39178	33.1
70.06572	9.1
71.08636	20.9
73.28678	8.9
79.05507	13.5
81.07050	34.6
88.07624	30.6
89.07957	8.9
91.05471	27.8
95.08583	10.6
98.20731	15.6
107.08614	12.2
114.95570	8.7
119.08620	16.8
121.10129	15.1
123.11671	11.8
131.08582	15.7
147.11676	27.0
153.50175	8.8
155.08582	11.1
169.09995	10.0
191.94893	10.6
213.05486	20.4
213.10368	11.2
226.12216	15.8
227.11909	11.7
228.12537	33.2
229.14262	13.2
242.28362	13.6
243.06467	45.7
243.10190	41.7
243.14914	38.8
243.17404	18.6
243.21185	11.7
243.25137	13.8
243.28749	100.0
244.26326	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	243.1593
Annotation	[1R-(1alpha,2beta,3beta)]-3-Hydroxy-2-(hydroxymethyl)-3-methyl-gamma-methylene-cyclopentanebutanoic acid methyl ester
Peak:m/z	Relative Intensity
55.01881	4.6
55.05517	17.1
55.82408	3.2
56.05028	3.7
57.03428	15.6
67.05499	18.4
69.03425	11.2
69.07059	18.0
70.06595	16.5
71.04993	34.8
71.07762	7.0
72.08159	15.9
79.05499	23.6
81.03428	8.8
81.07065	29.7
83.04995	30.8
83.08630	3.4
84.04511	17.5
84.08151	24.7
85.02918	5.0
85.06543	5.8
85.08501	4.9
86.09708	53.0
91.05479	37.8
92.47314	3.5
93.07042	65.0
95.01321	9.4
95.04974	84.3
95.08612	43.5
97.06554	22.8
98.99021	4.2
99.04465	38.2
103.05500	3.3
105.07032	81.5
107.08605	77.9
109.02861	6.3
109.06538	27.1
109.10152	24.6
111.08126	8.4
113.05943	3.6
117.07004	21.1
119.04931	13.7
119.08583	96.1
120.08120	4.3
121.02898	4.0
121.10139	55.3
123.08062	48.4
123.11696	5.4
125.09650	16.4
128.06239	4.8
129.07001	6.5
129.10242	14.4
130.07808	9.4
130.10576	13.1
131.04912	4.9
131.08578	36.9
133.10133	54.0
135.08052	9.3
135.11685	16.5
137.09651	28.6
138.61530	3.5
139.11093	4.7
140.04701	4.9
141.05473	14.1
143.08586	14.9
144.05739	4.4
144.09328	13.3
145.06433	3.5
145.10143	52.8
147.04449	5.9
147.08070	3.8
147.11734	19.0
149.02321	12.0
149.09621	74.2
149.13280	6.1
151.11165	19.9
153.06979	4.0
153.09096	17.5
155.07027	8.5
155.10658	4.6
155.11804	4.0
156.09337	8.3
159.11697	92.0
161.09543	4.3
161.13268	23.0
163.11194	38.9
165.12724	9.8
167.10680	100.0
169.05019	30.0
169.06357	7.4
169.12280	10.6
171.11690	17.9
177.12741	53.0
181.04968	4.0
181.12251	12.9
183.07997	6.8
189.12692	23.0
195.13846	9.7
197.04178	3.9
197.05998	14.0
197.12944	11.4
200.04692	4.9
207.13812	94.2
207.15753	5.1
213.14909	6.5
215.06989	26.8
225.14839	67.1
243.06412	25.8
243.10222	5.7
243.13516	5.3
243.15862	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	243.0203
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87852	0.3
56.96548	1.1
58.66928	0.3
66.19830	0.3
70.02986	1.1
78.26691	0.3
82.99836	1.1
84.99661	0.3
85.98466	0.3
91.59259	0.3
98.97591	4.1
101.00893	9.3
116.98666	1.9
119.01928	8.0
134.99852	1.1
137.02951	0.9
140.98842	3.8
158.99910	6.3
159.53163	0.3
175.03012	0.4
177.00966	16.6
178.01048	0.8
178.93457	0.9
182.99829	1.8
183.01324	0.4
188.96762	0.3
196.94537	7.9
197.02872	0.4
199.03036	0.7
201.00961	5.4
201.02637	0.7
214.95589	10.7
217.04108	2.9
219.02017	23.5
219.96103	1.5
220.02214	2.0
225.00797	2.3
227.99704	0.3
228.98865	0.5
232.96651	2.9
237.97189	5.8
238.03011	0.4
238.95326	0.4
243.01984	14.3
244.02150	0.4
247.96107	0.6
255.98248	1.3
256.96594	1.0
261.03079	100.0
262.03217	2.8
263.03302	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.2164
Annotation	14-Hydroxy-12,13-dihydrosesquiterpineol
Peak:m/z	Relative Intensity
52.39681	1.3
55.05514	25.3
57.03443	3.6
57.07087	7.7
59.04984	3.5
65.03946	3.8
67.05510	29.5
69.03437	2.8
69.07075	31.6
71.05006	11.4
71.38053	2.7
79.05507	15.0
81.07060	56.7
82.01736	1.5
83.04988	3.8
83.08624	19.2
84.08138	1.7
85.06551	100.0
91.05489	11.1
93.07059	22.5
95.04956	2.4
95.08616	74.7
97.06544	4.2
97.10175	11.3
98.64291	1.8
99.08112	14.8
101.06024	2.3
105.07018	8.1
107.08609	27.5
109.10166	43.5
109.10938	2.2
111.08065	3.8
111.11739	4.2
113.09648	6.0
116.13336	1.4
117.07040	2.7
119.08573	7.4
121.06570	1.9
121.10153	20.7
123.11714	50.3
125.09628	3.7
127.11217	3.5
128.06282	2.6
129.07005	3.8
131.08551	4.1
133.10129	4.8
135.11678	14.4
137.13251	5.7
137.81122	1.6
139.11198	2.6
141.07002	2.3
141.11848	1.5
141.12721	8.7
142.07794	3.8
143.08565	5.1
143.10583	1.4
144.09399	1.8
145.10161	5.2
147.11716	2.9
149.13257	17.7
152.06174	1.9
153.07037	2.8
156.09323	2.1
157.10132	7.3
159.11684	4.2
163.04073	1.7
163.14859	8.1
165.07022	1.7
165.16573	1.7
166.07663	1.8
167.08553	3.6
167.14330	3.0
169.10101	1.9
170.10873	3.3
171.11707	10.9
173.51749	1.5
177.16388	4.1
179.17961	2.6
181.05042	1.9
181.06537	2.9
181.10083	2.0
185.13235	8.8
195.11768	2.6
195.17154	1.6
196.09717	1.6
198.06781	2.8
199.08786	3.8
199.11243	2.4
199.14842	5.5
205.15927	1.6
205.19521	12.2
213.09073	3.8
213.12575	1.6
223.11186	1.9
223.13148	2.1
223.17006	2.3
223.20514	9.1
226.06194	3.4
241.04874	3.8
241.08603	20.6
241.12617	7.0
241.15808	11.7
241.19519	20.8
241.21704	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	241.2164
Annotation	14-Hydroxy-12,13-dihydrosesquiterpineol
Peak:m/z	Relative Intensity
54.73607	1.9
55.05275	2.2
55.05517	24.0
57.03432	8.0
57.07080	6.9
59.04993	3.9
67.05507	30.1
69.03433	4.4
69.07071	36.7
71.05019	10.4
71.05317	2.2
71.08623	1.9
71.48302	2.7
79.05503	14.8
81.07056	59.4
83.04984	3.6
83.08626	21.8
85.06549	100.0
86.84689	1.9
87.99091	1.9
91.05476	6.6
93.07054	24.8
95.04958	2.6
95.08614	74.6
96.08946	2.5
97.06548	5.7
97.10172	11.1
99.04468	2.1
99.08097	25.3
105.07035	6.0
107.08599	27.3
109.10166	49.2
111.08147	2.5
111.11777	2.6
113.09655	4.8
117.06955	2.4
119.08578	6.0
121.10159	16.7
123.11707	48.9
123.12592	3.2
125.09640	2.4
127.11201	5.1
129.07043	3.6
131.08580	4.2
133.10165	4.6
135.08115	2.6
135.11685	13.8
137.13278	4.2
141.12764	5.2
142.07790	4.8
143.08569	8.3
145.10112	7.4
147.11710	3.2
148.11681	2.0
149.13277	16.5
153.06990	3.7
157.06538	3.5
157.10162	12.1
159.11693	3.3
163.11072	2.4
163.14818	5.1
165.07039	2.6
167.07040	3.0
167.08551	2.3
171.08046	2.4
171.11708	12.6
177.16370	3.3
179.18005	5.3
181.06494	4.5
183.11714	2.7
185.05983	3.2
185.09731	2.5
185.13289	9.3
197.13251	2.6
199.11267	3.6
199.14824	5.9
205.12160	2.3
205.19536	11.9
213.09091	3.3
223.17004	3.5
223.20615	9.5
226.06270	2.9
241.04834	2.6
241.08638	13.0
241.12120	13.4
241.15923	13.1
241.19505	20.7
241.21712	21.3
256.92789	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73607	1.9
55.05275	2.2
55.05517	24.0
57.03432	8.0
57.07080	6.9
59.04993	3.9
67.05507	30.1
69.03433	4.4
69.07071	36.7
71.05019	10.4
71.05317	2.2
71.08623	1.9
71.48302	2.7
79.05503	14.8
81.07056	59.4
83.04984	3.6
83.08626	21.8
85.06549	100.0
86.84689	1.9
87.99091	1.9
91.05476	6.6
93.07054	24.8
95.04958	2.6
95.08614	74.6
96.08946	2.5
97.06548	5.7
97.10172	11.1
99.04468	2.1
99.08097	25.3
105.07035	6.0
107.08599	27.3
109.10166	49.2
111.08147	2.5
111.11777	2.6
113.09655	4.8
117.06955	2.4
119.08578	6.0
121.10159	16.7
123.11707	48.9
123.12592	3.2
125.09640	2.4
127.11201	5.1
129.07043	3.6
131.08580	4.2
133.10165	4.6
135.08115	2.6
135.11685	13.8
137.13278	4.2
141.12764	5.2
142.07790	4.8
143.08569	8.3
145.10112	7.4
147.11710	3.2
148.11681	2.0
149.13277	16.5
153.06990	3.7
157.06538	3.5
157.10162	12.1
159.11693	3.3
163.11072	2.4
163.14818	5.1
165.07039	2.6
167.07040	3.0
167.08551	2.3
171.08046	2.4
171.11708	12.6
177.16370	3.3
179.18005	5.3
181.06494	4.5
183.11714	2.7
185.05983	3.2
185.09731	2.5
185.13289	9.3
197.13251	2.6
199.11267	3.6
199.14824	5.9
205.12160	2.3
205.19536	11.9
213.09091	3.3
223.17004	3.5
223.20615	9.5
226.06270	2.9
241.04834	2.6
241.08638	13.0
241.12120	13.4
241.15923	13.1
241.19505	20.7
241.21712	21.3
256.92789	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	0.5
58.06318	0.9
58.06604	17.7
60.08168	2.4
61.02930	0.6
68.98300	0.4
69.03413	0.9
69.39686	0.4
69.39990	3.2
70.06591	3.5
72.08144	1.5
73.02915	0.8
81.03400	1.0
84.08153	9.9
85.02910	1.3
92.06914	0.3
94.06548	0.6
97.02885	1.2
98.09713	2.1
98.20794	1.0
98.97581	1.1
99.04445	0.4
100.11263	0.5
101.00896	1.3
104.10750	48.5
105.11085	0.4
113.00851	1.0
114.05553	0.5
116.07087	0.5
119.01915	1.1
126.05544	0.5
127.02419	0.5
128.10713	3.8
131.01944	1.4
139.03937	0.6
143.01863	0.9
144.10165	1.1
145.03358	0.4
147.05817	0.5
153.04425	1.2
161.03033	0.8
168.10255	0.6
173.02908	0.7
174.04610	0.4
180.68088	0.4
185.03012	0.8
186.62808	0.4
188.21063	0.4
196.09676	5.3
203.04024	0.6
213.16054	0.6
227.04056	0.5
241.15482	100.0
242.15744	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1549
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
55.05497	0.9
56.96553	1.1
57.03421	0.5
58.06602	19.8
61.02912	0.9
66.52818	0.3
69.03423	0.6
70.06253	0.3
70.06595	3.4
71.04977	0.3
71.35844	0.6
71.42675	0.3
72.08142	0.8
73.02917	0.4
73.06558	0.3
74.62600	0.2
81.03399	0.9
83.04955	0.3
84.08146	10.5
85.02892	1.3
85.06534	0.4
90.02419	0.3
97.02885	0.6
98.06047	0.6
98.09664	1.5
98.97591	4.3
100.11221	0.3
101.00881	0.8
113.00874	0.4
114.05540	0.6
116.07103	0.4
116.98627	1.4
119.01894	0.8
126.05512	0.5
126.09121	0.4
127.03907	0.3
128.10724	3.7
131.01865	0.5
134.99681	0.3
136.06148	0.3
143.01933	1.5
144.10243	1.5
147.05798	1.6
152.07039	0.5
152.10661	0.3
154.35640	0.3
158.08131	0.4
158.99709	0.3
161.03023	0.8
164.07051	0.3
168.10201	0.9
173.06606	0.4
196.09682	5.3
213.16013	0.6
241.15472	100.0
242.15721	1.2
258.99762	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1436
Annotation	(+)-7alpha,8alpha-Epoxyblumenol B
Peak:m/z	Relative Intensity
52.90575	2.4
53.03942	3.8
55.01868	7.0
55.05518	15.0
57.03424	10.4
57.07062	5.6
59.04986	8.1
61.02935	3.2
65.03933	3.0
67.05508	50.0
69.03439	22.1
69.07055	10.5
70.06586	6.6
71.04980	7.3
71.05345	2.5
71.47227	4.2
72.08147	6.7
75.04467	4.3
79.05494	15.3
81.03402	3.2
81.07059	32.9
82.06602	2.4
83.04986	36.9
83.08620	5.1
84.08165	14.3
85.02894	10.6
85.06541	6.6
86.09699	8.3
91.05502	18.7
93.07050	25.2
95.04982	26.4
95.08608	14.5
97.02919	4.9
97.06523	15.6
98.97600	3.5
99.04456	7.4
101.05995	3.4
103.05449	3.0
105.07073	14.1
107.04961	7.4
107.08592	18.2
109.02859	5.4
109.06516	19.9
109.10165	95.0
110.07160	3.6
111.04443	4.7
111.08088	56.0
113.06003	7.4
117.07036	5.7
119.08591	17.1
121.06516	13.8
121.10138	19.8
122.07291	13.9
123.04429	15.6
123.08082	19.9
123.11699	4.6
125.05981	8.6
125.09657	26.0
127.07543	3.5
129.10191	4.8
131.08560	4.3
133.10149	12.2
135.08061	18.3
135.11690	8.7
136.07552	2.6
137.05977	5.2
137.09625	100.0
139.07549	18.4
139.11197	13.5
141.05464	9.3
143.08551	4.5
145.10124	3.9
149.05954	6.0
149.09615	8.9
150.05524	2.4
151.11191	8.2
153.09096	31.9
159.11700	13.0
160.12344	2.4
161.09621	6.1
161.13359	2.4
163.03900	2.6
163.11198	9.8
164.07054	3.9
165.09106	9.9
167.06955	2.9
167.10681	6.1
177.05409	4.0
177.12750	7.3
179.10667	23.3
181.06412	3.9
181.12224	7.5
185.05948	3.5
187.11185	3.5
197.11667	5.0
198.03181	5.1
205.12263	14.7
213.05426	4.1
213.09056	5.8
223.09682	6.0
223.13269	13.8
224.09180	5.1
226.02681	2.8
241.04926	9.4
241.09192	7.6
241.14197	15.4
256.17178	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41341	0.2
53.03939	0.4
54.63968	0.2
55.01862	0.5
55.05510	1.0
55.25388	0.2
64.95847	0.2
65.03943	1.3
67.05511	1.3
69.03411	0.3
69.07048	0.3
69.08498	0.2
70.06597	0.6
71.01360	0.3
71.48219	0.3
72.08158	13.7
73.06547	0.7
77.03895	0.2
79.05473	0.2
81.07062	0.3
83.04991	0.9
83.46748	0.2
84.05330	0.4
84.08130	0.8
85.02917	0.3
86.09700	0.5
88.84701	0.2
89.98462	0.2
90.09196	2.7
90.31118	0.2
91.05485	0.6
95.01298	0.2
95.04980	1.0
108.02099	1.8
109.02879	0.2
111.04440	0.7
119.04945	0.3
120.08111	0.8
124.07590	0.3
129.10266	0.6
134.06012	0.2
136.01556	0.3
137.05965	1.2
141.05479	1.3
151.03912	100.0
151.04994	7.6
152.04247	1.5
162.05592	0.3
164.07088	0.2
167.07050	0.2
178.03253	0.4
196.04294	0.8
204.10268	0.3
205.49963	0.2
222.11366	0.4
234.98676	0.2
240.03290	0.5
240.06519	0.4
240.09984	0.2
240.12277	3.9
240.16005	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09563	0.1
52.03152	0.2
53.03942	0.4
55.01870	0.5
55.05517	0.8
57.03440	0.2
65.03940	1.0
67.05513	1.4
69.54350	0.7
69.54761	0.4
70.06596	0.2
71.01380	0.2
72.08160	12.2
73.06561	0.8
77.03953	0.2
78.82162	0.1
83.69160	0.2
84.08150	0.3
85.02911	0.3
86.09700	0.2
87.64281	0.1
90.09200	3.0
95.01312	0.2
95.04984	0.6
98.21586	0.3
103.04488	0.1
108.02091	1.6
109.02900	0.3
111.04446	0.3
120.08118	0.2
123.04451	0.6
136.01590	0.3
141.05493	1.3
151.03917	100.0
151.04997	7.7
152.04251	1.2
222.11372	0.3
240.06630	0.3
240.12315	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	240.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03161	0.3
53.03947	0.5
55.01875	0.6
55.05520	1.2
58.74285	0.2
60.72337	0.2
62.42848	0.2
63.64496	0.2
65.03939	0.9
67.05511	1.2
69.03432	0.5
69.07058	0.3
70.06583	0.7
70.44126	0.8
71.01361	0.5
72.08160	12.4
73.06564	0.7
73.73471	0.3
74.71957	0.3
77.03949	0.2
81.03415	0.3
83.04990	1.0
84.05317	0.7
84.08145	0.6
85.02901	0.4
86.09692	0.4
90.09197	2.9
91.05476	0.6
92.48834	0.2
95.04989	0.5
105.04539	0.3
107.07312	0.3
108.02106	1.4
111.04438	0.8
112.01512	0.3
113.21007	0.2
118.97677	0.2
119.04944	0.3
119.98269	0.2
120.08110	0.8
121.03998	0.2
127.03944	0.3
129.10254	0.5
136.01514	0.3
137.06009	1.0
141.05498	1.3
151.03920	100.0
151.05005	7.5
152.04291	1.3
178.03285	0.5
196.04338	0.9
222.11201	0.4
240.06624	0.3
240.10152	0.2
240.12344	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	239.237
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69623	0.7
53.03939	1.5
55.05515	24.3
57.07079	100.0
65.03941	0.9
67.05508	51.5
69.07072	25.2
69.13860	7.9
71.04991	1.8
71.08634	61.3
72.04509	1.9
79.05502	5.2
81.07059	53.4
83.08624	30.2
83.09126	1.6
85.06544	4.1
85.10188	26.5
88.02222	1.0
89.06039	3.9
91.05494	1.2
93.07049	3.1
95.08612	73.1
96.92051	0.7
97.10175	12.1
98.21555	1.7
99.08081	1.9
109.06518	0.8
109.10159	27.9
111.11707	1.3
119.08578	1.0
123.11719	5.9
125.13270	0.9
132.83688	0.7
133.08531	0.8
137.13231	2.6
138.47928	0.7
151.03918	1.1
151.14857	0.8
183.11679	1.3
197.13303	1.2
200.03265	0.7
212.32315	0.8
239.08916	8.1
239.18037	2.8
239.23692	1.6
240.12311	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2369
Annotation	Bombykol
Peak:m/z	Relative Intensity
53.00319	0.8
53.03961	1.4
55.05513	22.7
57.07079	100.0
57.31633	0.5
58.07396	0.7
65.03943	1.1
67.05509	49.3
69.07071	24.7
71.05003	1.6
71.08636	61.8
79.01792	0.5
79.05502	5.1
79.57105	0.5
81.07060	53.5
82.10724	0.6
83.08627	27.8
85.06552	4.0
85.10189	27.5
87.10130	0.6
89.06024	1.4
91.05495	0.8
93.07059	3.2
95.08612	75.4
97.10178	13.0
98.21558	1.0
98.97613	0.5
99.04472	0.5
99.08104	1.8
99.11770	0.6
107.08588	0.5
109.10163	25.8
111.11721	2.1
113.32047	0.5
123.11716	8.5
131.24818	0.5
137.13264	2.4
239.08870	2.9
239.23622	2.3
242.23000	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2006
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
53.03955	3.3
55.05511	17.5
57.07070	8.1
59.04996	3.8
67.05508	40.3
69.07073	29.2
71.04977	5.3
71.48770	3.4
79.05505	20.4
81.06590	4.2
81.07059	65.5
81.92106	2.1
83.05002	4.0
83.08616	11.4
85.06561	13.9
89.06010	3.7
91.05482	26.8
93.07047	37.5
95.08612	65.9
97.06539	4.5
97.10175	2.3
99.08098	4.0
105.07038	61.6
107.08598	55.6
109.06543	3.5
109.10154	45.6
111.04428	2.7
111.08083	9.8
117.07095	2.2
119.08586	43.9
121.10138	24.5
123.08106	4.9
123.11716	17.1
125.09664	3.9
131.08525	2.9
133.10147	28.3
135.11691	24.8
137.06021	2.5
137.09587	2.9
137.13266	5.1
145.10097	3.8
147.11693	65.2
149.13231	5.6
151.11229	3.7
158.03625	27.0
161.13289	18.3
163.14857	13.0
165.12769	10.2
169.10149	2.8
175.14819	7.0
177.16360	3.0
183.11607	2.6
186.03146	8.6
187.03825	2.8
191.17883	2.8
193.03119	12.6
197.13199	3.8
202.03688	7.4
203.17937	24.9
207.02917	7.0
216.03447	100.0
216.05521	5.1
216.53607	24.4
217.03409	3.1
218.04268	8.5
221.19031	40.5
225.03922	4.5
227.54199	17.2
239.08925	11.7
239.14357	5.6
239.17906	8.0
239.20131	20.9
240.12463	3.8
259.86526	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.05503	2.3
56.96562	1.2
57.07067	2.0
65.03933	1.2
67.05512	20.1
69.07075	6.9
71.04984	1.0
71.28034	1.3
73.78656	0.6
79.05502	6.6
81.07065	21.3
83.04996	1.0
83.08616	1.8
89.06042	3.8
91.05490	4.8
93.07047	1.5
95.04991	0.8
95.08610	3.9
97.10143	0.8
98.15292	0.6
99.04456	1.9
105.07029	4.6
106.07506	0.6
109.10155	1.7
109.36218	0.7
115.05477	2.2
117.07021	8.4
119.08577	2.6
121.06492	0.7
121.10162	1.2
128.06223	3.9
129.07022	29.5
131.08598	6.3
132.86743	0.7
133.08633	1.0
133.10133	3.2
141.07005	21.2
142.07819	3.8
143.08578	11.3
145.10159	5.2
147.11743	0.9
151.03917	0.9
153.07043	1.5
154.07817	7.4
155.08569	21.7
156.09332	2.5
157.10155	16.5
157.11430	0.5
159.11687	9.7
165.07007	1.6
167.08572	4.0
168.09406	4.1
169.10146	24.0
171.11699	28.8
173.13280	4.4
177.12547	0.7
181.10141	3.8
182.10959	1.5
183.11711	42.8
184.12083	0.8
185.13316	4.2
195.11729	2.3
196.12497	4.0
197.13280	37.7
198.14026	2.2
210.14134	1.5
211.14818	8.9
224.15521	1.0
239.08936	11.2
239.17972	100.0
240.12294	1.3
240.18311	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82259	0.6
53.03944	1.1
55.05502	2.2
56.96549	1.0
57.07080	1.3
65.03938	0.7
67.05492	3.8
69.03429	1.4
69.07067	1.6
69.77367	1.8
69.77760	1.2
70.02967	0.6
70.06596	2.7
71.05002	1.9
71.08633	1.2
72.08161	10.0
79.05467	1.3
81.07062	2.2
83.04984	4.1
84.08149	4.5
85.02902	1.1
85.56357	0.6
86.09705	1.3
87.04468	2.0
89.06038	100.0
89.10799	2.3
91.05485	3.7
93.07057	1.1
95.04985	2.0
95.08625	2.1
95.59162	0.6
97.02902	0.9
98.21497	1.3
98.56380	0.8
99.04478	1.0
99.08123	0.9
103.05418	0.7
105.07038	2.0
107.05000	0.7
107.07090	2.0
107.08611	1.1
108.02090	1.0
109.06515	1.2
109.10148	1.5
110.07172	0.9
111.04451	1.6
111.08112	1.2
119.04938	1.0
119.08588	0.8
120.08125	0.8
121.06520	0.8
125.06020	1.0
126.01052	3.4
129.10262	1.4
130.08694	1.3
133.06503	1.1
133.08612	27.7
135.04433	1.3
136.07622	3.0
137.06012	2.1
137.09686	0.8
141.05521	1.5
147.04463	1.1
147.11690	0.7
150.09207	0.8
151.03923	71.5
151.04997	4.6
151.09718	1.5
152.04324	0.8
153.05513	0.7
153.07222	0.7
161.09770	0.9
163.03934	0.8
175.03958	1.7
177.11240	2.3
193.08649	0.8
193.10640	1.2
195.12320	1.9
221.04482	1.6
221.07982	0.9
222.11253	16.2
239.06995	3.1
239.09041	9.3
239.13928	11.0
240.06694	0.8
240.12459	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.4
55.01881	0.5
62.53828	0.2
65.03944	0.9
67.05507	1.0
70.56133	0.4
70.56459	0.6
72.07755	0.6
72.08160	11.4
77.03896	0.3
88.93367	0.3
89.10800	3.6
105.04568	0.3
108.02116	1.6
109.02879	0.4
116.96128	0.2
120.77770	0.3
121.04053	0.3
136.01530	0.3
141.05501	1.4
151.03918	100.0
151.04997	6.8
152.04277	1.2
168.06641	0.3
187.00954	0.3
222.11258	21.5
239.13924	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	237.1851
Annotation	Godotol A
Peak:m/z	Relative Intensity
52.73838	2.0
53.27360	2.1
55.01867	4.9
55.05513	16.2
57.03453	2.5
57.07083	11.1
59.05002	5.3
63.54303	2.1
67.05513	26.8
69.03394	2.2
69.07072	21.8
70.78997	4.5
71.04984	4.2
71.69385	2.0
75.09552	2.0
79.05499	20.5
81.07068	71.9
83.04993	10.1
83.08623	9.9
85.06536	6.3
85.20750	1.9
91.05480	13.8
93.07056	37.0
95.04960	3.1
95.08614	78.9
97.06529	7.5
97.10195	10.7
105.07041	26.6
107.08601	44.8
108.26319	2.1
109.06524	5.2
109.10165	44.1
111.04451	5.2
111.08083	4.8
111.11697	3.3
117.07017	6.6
119.08598	20.2
121.06512	5.8
121.09337	3.4
121.10158	40.9
123.08052	5.5
123.11703	7.7
125.06010	4.3
125.09615	3.1
131.08575	14.6
133.10129	14.2
133.26996	2.3
135.08044	3.5
135.11708	50.3
137.09624	3.9
145.10138	37.1
147.11697	8.9
149.02342	4.4
149.09659	10.7
149.13240	8.9
151.11156	2.8
159.11697	31.1
161.09673	2.2
161.13284	18.3
163.07600	2.4
163.11166	13.1
173.13269	12.9
173.75179	2.1
175.14825	6.4
177.05441	4.2
177.12726	2.3
177.16435	3.6
181.04956	2.2
189.16449	5.2
191.10664	4.8
191.17967	59.8
193.04926	2.6
197.14598	2.1
201.16405	56.3
207.17564	2.2
209.09828	3.0
209.11707	11.1
219.13988	3.3
219.17467	57.3
237.09303	3.6
237.18515	100.0
237.22092	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	237.0759
Annotation	6-Hydroxymethyleugenin
Peak:m/z	Relative Intensity
55.01876	8.9
55.05513	0.5
59.10088	0.2
67.05488	0.3
67.81366	0.3
68.30711	0.2
69.07066	0.3
69.70741	1.3
79.05482	0.6
81.07065	2.1
91.05489	2.0
93.07043	0.9
95.04997	0.4
95.08593	0.8
95.21763	0.3
97.10139	0.4
98.17453	0.3
98.20776	0.5
105.07037	0.6
107.04957	0.3
107.08620	0.7
109.10156	0.7
110.66068	0.3
119.04947	14.7
121.06518	1.0
121.10171	0.5
133.06496	0.7
133.10112	0.4
134.03674	0.4
135.08008	0.3
135.11551	0.3
145.10141	0.4
147.04422	3.7
149.05988	8.0
162.03149	0.4
163.07573	1.8
165.05464	0.9
166.31335	0.3
175.05072	0.4
177.05478	100.0
178.05835	0.9
191.07054	2.7
200.13148	0.3
211.61772	0.3
219.06537	33.1
234.14771	0.2
237.07619	2.6
237.18663	0.3
250.30724	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1283
Annotation	10-Hydroxydarlingine
Peak:m/z	Relative Intensity
53.88704	0.2
55.01873	15.1
55.05514	3.2
56.77744	0.2
56.96563	0.5
57.07063	0.5
60.04515	0.7
63.67850	0.2
67.05505	1.5
69.07047	0.2
70.06603	1.3
71.48283	0.3
72.04526	2.5
72.08158	17.8
73.06557	1.3
73.08483	0.4
83.97639	0.3
84.04510	6.6
84.08144	1.8
86.09716	0.7
89.10795	0.4
90.11091	0.4
91.05453	0.6
95.04985	2.7
96.08092	0.3
97.02889	0.3
98.97607	0.4
107.04934	0.4
110.07156	0.5
114.09174	8.4
115.05479	0.3
116.05798	0.7
119.04961	0.6
120.05266	0.4
120.08097	0.9
123.04433	100.0
124.04762	0.9
126.09161	24.3
135.04457	0.5
136.07587	0.3
137.05991	1.8
143.04964	0.5
144.05281	1.5
147.04382	2.0
148.04759	2.6
158.80200	0.2
161.05945	0.5
162.06494	2.2
162.09196	0.3
164.07072	0.6
165.05482	10.6
172.04716	0.6
175.03864	0.3
180.11057	0.6
189.05501	0.4
189.97163	0.4
190.05743	2.5
192.10016	0.3
213.99754	0.3
218.05135	0.3
235.97699	1.3
236.05846	1.2
236.12825	67.0
236.17233	2.4
237.13139	0.9
253.98265	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1694
Annotation	7,10-Epoxy-ar-bisabol-11-ol
Peak:m/z	Relative Intensity
53.03945	8.3
55.01866	1.7
55.05517	5.4
56.41828	0.9
56.96562	0.9
57.07079	21.4
58.96126	2.3
59.04977	0.9
65.03927	1.9
67.05508	26.2
69.03432	17.1
69.07076	5.9
69.82635	3.9
69.83061	1.5
71.04984	2.2
77.03903	1.2
79.05496	47.7
79.51524	1.0
80.05843	0.9
81.03410	1.6
81.06593	1.3
81.07058	18.6
83.04971	1.4
83.08620	3.4
85.06537	2.3
87.04466	1.2
91.05482	41.0
93.07046	100.0
95.04972	7.2
95.08601	11.3
97.06512	1.8
97.10153	1.6
99.08088	1.0
105.04499	3.8
105.07033	14.1
107.08600	32.1
109.06487	1.6
109.10161	4.9
117.07032	2.5
119.08601	11.9
121.06485	1.3
121.10146	43.3
123.04439	1.8
123.08079	1.3
123.11741	1.5
129.06966	2.4
131.08569	6.0
131.77722	0.8
133.10139	16.8
135.08064	4.1
135.11708	9.7
137.09608	2.2
143.08560	1.7
145.10100	1.8
147.07971	1.0
147.11705	3.2
147.83122	0.9
149.09590	2.3
151.11194	1.9
153.09071	1.6
154.22522	1.0
157.10146	2.3
159.11659	1.1
161.09619	1.5
161.13284	1.3
171.11714	1.3
175.11165	1.8
175.14854	5.8
179.10675	13.5
189.12737	1.1
189.16385	3.5
193.08565	1.2
193.12283	1.4
199.14835	4.7
209.03351	1.0
213.09851	0.9
217.04951	0.9
217.15889	5.8
220.12404	0.9
224.11024	0.9
235.05876	1.2
235.13156	2.5
235.16931	75.5
236.17291	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0602
Annotation	2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-2,4-dienoate
Peak:m/z	Relative Intensity
50.64131	0.6
51.02422	0.5
53.93229	0.7
54.09414	0.6
55.93148	0.5
57.07063	0.6
57.63914	0.6
69.35674	2.0
69.36091	2.3
69.66344	0.6
75.20714	0.6
79.05498	1.8
85.79440	0.5
91.05480	3.5
95.04971	1.2
98.97595	0.8
100.32227	0.6
103.05476	3.5
105.07040	6.2
107.04917	0.9
107.08559	1.0
115.05457	17.4
117.07020	4.2
118.04152	0.9
119.04993	0.6
119.08630	0.9
130.04170	0.9
131.04936	35.3
133.06502	3.3
133.07341	0.5
135.08078	0.7
143.04903	1.3
145.06503	1.8
146.03616	1.8
147.04430	0.8
158.03625	2.8
159.04396	4.0
159.05547	0.9
161.05991	8.6
163.03912	7.3
163.07544	2.5
171.05545	1.8
173.06000	10.1
174.03136	20.7
175.44676	0.6
176.04707	4.0
178.02625	10.2
187.05006	1.0
189.05482	17.4
191.07028	7.8
193.04974	23.1
193.07784	1.0
202.02617	46.7
205.04991	0.7
217.04970	100.0
218.05275	1.8
235.05960	1.4
235.16991	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0602
Annotation	2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-2,4-dienoate
Peak:m/z	Relative Intensity
53.03944	1.5
57.07081	17.9
58.06589	1.0
67.05489	2.6
69.07061	1.1
71.48792	1.4
79.05485	4.6
81.07043	1.9
91.05494	5.6
93.07079	2.7
95.04967	2.0
95.08607	2.7
103.05455	2.9
105.07043	8.1
107.08576	2.4
115.05468	21.0
117.07043	3.5
118.04189	1.5
119.08566	2.7
121.10134	1.7
123.04455	1.6
131.04933	31.3
133.06505	4.2
133.10051	1.2
143.04909	2.3
145.06453	2.3
146.03596	3.2
147.04404	2.1
147.11711	1.4
158.03633	3.3
159.04405	4.7
161.06004	11.9
163.03932	8.1
163.07532	4.6
171.05553	2.0
173.05988	9.1
174.03149	18.5
176.04726	5.9
178.02603	13.4
179.10698	10.7
189.05496	15.6
191.07011	8.6
193.04982	31.6
193.10109	1.1
196.56613	1.2
199.14935	1.2
202.02625	46.5
203.03172	1.1
205.10037	2.1
217.04970	100.0
218.05353	2.0
220.12459	1.7
227.26495	1.1
235.06001	1.6
235.14870	3.4
235.16934	43.3
235.20622	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	235.0602
Annotation	2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-2,4-dienoate
Peak:m/z	Relative Intensity
57.07065	3.2
60.20797	0.8
67.05496	1.2
69.07059	0.8
70.71031	2.4
73.76057	0.9
76.38967	0.7
79.05488	2.5
81.07066	1.7
91.05491	4.7
93.07027	1.1
95.04991	1.1
95.08614	1.6
102.76280	0.7
103.05476	5.2
105.07037	7.6
107.08604	2.3
109.10146	1.0
110.04608	0.7
115.05455	17.2
117.07028	4.9
118.04170	1.1
119.08578	2.2
121.10123	1.0
129.03368	0.8
130.04126	0.9
131.04935	36.7
133.06532	4.1
133.10165	2.6
135.11682	1.0
143.04950	1.0
143.08582	1.0
145.06500	1.4
145.10141	0.9
146.03598	2.1
147.04431	1.7
147.11725	1.3
149.05948	0.8
158.03661	3.4
159.04439	5.1
159.11684	1.0
161.05998	8.4
161.09601	0.8
161.13254	1.5
163.03903	7.6
163.07520	3.9
165.05382	0.8
171.05550	2.1
173.05983	10.1
173.13274	1.1
174.03131	17.6
175.03934	4.8
176.04721	3.3
177.68983	0.9
178.02614	9.1
179.10727	2.7
189.05476	18.4
189.07091	1.6
191.07042	10.1
193.04974	25.8
199.14873	1.3
202.02621	42.3
203.03349	4.5
217.04968	100.0
217.15831	2.2
218.05539	1.0
235.06004	2.8
235.13199	1.1
235.16905	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	235.0603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.3
56.96565	0.7
57.07078	1.1
61.23801	0.6
62.48925	0.6
69.03415	0.5
69.48273	2.3
69.48690	2.0
79.05492	1.9
81.07033	1.2
83.04977	0.8
91.05500	3.9
93.07008	0.7
95.04946	0.7
97.02905	0.5
98.20728	1.3
98.97585	2.1
100.55756	0.6
102.12582	0.6
103.05474	4.6
104.29223	0.6
105.07024	5.8
106.64083	0.5
107.04966	0.9
110.77784	0.5
115.04698	1.2
115.05464	16.3
116.98624	0.7
117.07027	4.6
118.04142	1.3
119.08590	0.8
129.03395	0.6
130.04100	0.9
131.04933	31.7
133.06497	2.8
133.10088	0.6
135.08043	1.6
137.05905	0.5
143.05006	1.1
145.06523	2.1
146.03648	2.0
146.36479	0.6
147.04344	0.8
158.03664	3.0
159.04433	5.0
159.05557	1.0
161.05988	8.3
163.03906	7.1
163.07559	2.4
171.05589	1.7
172.57800	0.6
173.05998	10.1
174.03127	18.6
174.06561	0.6
175.03418	0.6
176.04710	4.3
177.01892	0.9
178.02620	9.5
179.10663	1.1
189.05467	15.6
191.07040	9.6
193.04982	24.0
202.02621	40.2
203.03061	0.9
205.04927	0.9
207.91266	0.6
214.08554	1.1
217.04973	100.0
218.05359	2.4
232.87694	0.7
235.06033	0.9
235.13425	0.7
235.16891	3.5
238.09862	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0601
Annotation	2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-2,4-dienoate
Peak:m/z	Relative Intensity
61.47054	0.8
69.36306	7.6
72.97234	0.8
79.05488	2.1
91.05476	3.4
91.36015	0.8
98.21556	1.9
103.05478	5.1
105.07028	5.8
115.04700	1.7
115.05463	20.3
117.07050	4.8
118.04169	2.1
119.24576	1.0
131.04936	32.2
133.06531	2.8
135.08026	1.4
143.04961	1.2
145.06520	1.5
146.03745	1.8
158.03662	3.7
159.04420	3.0
159.05566	1.6
161.05994	8.1
163.03902	8.8
163.07564	2.4
171.05554	1.9
173.05986	12.8
174.01761	2.0
174.03145	21.8
176.04683	5.0
178.02628	12.5
187.05067	1.3
189.05426	10.6
191.07057	7.8
193.04977	28.9
202.02631	57.6
217.04976	100.0
218.05141	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.2266
Annotation	Aplotaxene
Peak:m/z	Relative Intensity
51.02410	0.6
52.20656	0.6
53.03957	1.8
55.05516	14.4
56.19329	0.5
57.07077	3.1
59.89157	0.5
65.03951	2.6
67.05510	96.2
69.07078	13.8
70.06595	0.6
70.83220	0.6
70.99961	0.7
71.00273	0.9
71.08649	0.8
79.05501	26.2
79.66378	0.6
81.07063	100.0
83.08627	7.8
91.05480	6.9
93.07053	29.2
93.07648	1.3
95.04989	1.9
95.08615	90.6
96.08981	0.6
97.10174	4.1
105.07047	6.2
106.30731	0.6
107.04973	2.0
107.08602	16.0
109.06502	0.7
109.10169	41.5
110.08236	0.6
111.11716	1.7
113.10914	0.5
117.07025	1.3
119.08588	3.0
121.06523	0.8
121.10155	25.2
123.11715	15.4
129.06961	0.6
131.08557	4.1
133.10115	2.1
135.08057	1.4
135.11710	22.8
137.12227	0.6
137.13268	10.0
143.08603	0.6
145.10133	4.5
147.08066	1.1
147.11684	1.8
149.06076	0.6
149.09616	1.7
149.13269	9.7
151.14825	5.3
159.08107	1.4
159.11719	2.6
161.13339	1.3
162.49405	0.6
163.11255	0.8
163.14835	5.8
173.09694	0.9
173.13309	0.8
175.03864	1.7
177.05499	2.0
177.09158	1.9
177.12802	0.9
177.16388	2.2
178.06232	1.6
187.14819	9.9
191.14349	0.8
191.17950	1.5
197.13206	1.0
205.04929	1.6
215.14420	3.5
217.15909	1.7
218.01991	1.0
218.10825	0.7
233.04436	3.6
233.11679	3.4
233.15495	8.8
233.18990	45.2
233.22629	77.5
234.23006	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1538
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
53.03943	1.9
55.01867	2.2
55.05510	3.7
57.03423	1.2
57.07063	2.1
57.55493	0.7
59.04982	1.3
65.03947	1.3
67.05503	9.3
69.03439	5.7
69.07074	5.4
69.26232	3.2
69.26651	3.8
70.06570	0.9
70.59828	0.7
71.04969	1.8
72.08141	1.1
74.06071	1.8
79.05500	9.6
81.03414	1.2
81.07060	11.8
83.04971	2.7
83.08621	1.2
84.08125	1.0
85.06532	2.4
86.09729	1.7
91.05488	17.8
93.07044	15.3
93.89322	0.7
95.04981	7.5
95.08606	8.2
97.06525	3.4
99.04425	1.3
103.05477	3.8
105.07040	17.5
105.59599	0.7
107.04951	3.0
107.08617	10.8
109.06510	5.6
109.10161	3.9
111.04438	1.3
111.08093	2.2
113.06057	0.8
115.05423	2.6
116.06244	0.9
117.07016	7.7
119.04971	5.8
119.07811	1.2
119.08593	17.0
120.08091	2.4
121.06519	12.9
121.09335	1.3
121.10149	18.2
121.11020	0.9
121.76031	0.8
122.95003	0.8
123.04427	1.1
123.08079	5.9
125.06001	5.3
125.09653	0.9
128.06223	1.7
129.06989	4.4
130.07808	2.2
131.04929	2.1
131.08571	17.9
133.06477	1.6
133.10136	9.3
134.07288	0.8
135.08047	5.9
135.11702	3.8
137.05962	2.8
137.09583	1.8
139.07559	1.4
141.06979	2.0
142.07764	2.6
143.02728	0.8
143.08583	4.8
144.05690	2.2
144.09337	1.8
145.02834	1.4
145.06464	6.7
145.10124	22.3
146.07201	0.9
147.04422	9.7
147.08041	3.1
147.11687	7.3
149.05959	2.0
149.09621	10.3
149.13237	1.0
151.11206	0.9
155.04967	0.8
155.08543	2.6
156.09358	2.1
157.10121	7.1
158.07320	1.2
158.10852	3.0
159.04474	1.1
159.08069	13.1
159.11708	13.7
161.05980	1.4
161.09616	2.9
161.13264	2.1
162.06636	0.9
163.07619	1.4
163.10994	1.2
163.14801	1.0
167.08548	2.5
169.10117	2.9
171.11668	4.3
172.05272	1.7
172.12437	1.5
173.02361	2.7
173.06044	2.1
173.09673	7.7
173.13272	14.3
174.06744	1.2
175.03922	14.6
175.07491	1.2
175.11218	4.7
177.05537	1.5
177.09077	3.6
177.12764	1.4
182.10934	5.8
186.10376	1.2
187.07518	1.3
187.11185	2.5
187.14819	12.5
189.09186	1.1
189.12752	3.0
189.16301	0.9
190.02684	1.1
190.06302	1.1
191.10670	1.0
191.14323	4.5
197.13254	11.8
200.11928	2.6
201.01939	1.0
201.05524	1.0
203.03380	2.8
205.04961	8.3
205.08594	3.9
205.15868	2.6
215.07021	2.2
215.14333	33.9
215.17926	2.8
218.02158	1.9
233.04419	10.4
233.07863	9.3
233.11940	6.0
233.15373	100.0
233.18706	4.9
234.15666	1.6
238.11821	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1497
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
55.05509	1.2
56.05038	19.4
56.96570	9.1
57.03429	3.5
58.06610	4.5
60.04515	0.6
67.05521	0.7
69.03436	0.9
69.07071	0.8
69.39529	3.6
70.06600	1.8
72.08165	5.0
73.02942	0.5
74.06085	100.0
76.02231	0.5
81.03421	0.7
84.04520	3.5
84.08156	3.0
84.96000	0.8
85.02882	1.1
86.09711	25.0
90.94811	0.6
91.05490	1.4
98.97598	1.9
100.99178	1.6
101.07146	2.5
103.00634	1.0
103.05471	0.7
104.18581	0.5
106.22939	0.5
107.04966	0.8
110.07133	0.5
110.97587	2.0
115.05510	0.5
116.98669	0.6
117.07048	0.5
119.00187	0.8
119.04945	1.0
120.08147	2.0
121.01707	1.4
121.06520	0.9
126.97047	0.8
128.98650	2.1
131.04938	0.7
131.08614	0.6
132.10216	18.3
132.11172	1.1
132.95842	0.7
133.02867	0.7
134.08154	2.5
143.11827	0.8
144.18706	0.5
144.98131	1.0
145.06419	0.6
146.99702	2.0
147.04491	2.1
149.06030	0.7
149.96159	0.5
158.06018	0.7
161.04697	0.5
161.06056	0.6
162.99046	0.7
163.03963	1.2
163.07588	0.6
165.00829	0.9
169.13452	2.1
172.60666	0.5
172.97606	1.0
173.01166	1.1
173.06055	0.5
175.03912	3.7
177.05548	0.6
187.03979	0.6
187.08743	1.8
187.14424	8.1
190.98634	3.8
191.02310	2.5
191.03751	0.8
193.02948	0.5
203.03403	0.8
205.05013	1.4
205.06679	0.9
208.99759	3.8
210.00047	0.5
215.07120	0.9
215.13939	4.0
215.15674	0.5
218.02173	0.6
233.04366	3.1
233.08145	0.9
233.14969	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	233.1537
Annotation	Hypacrone
Peak:m/z	Relative Intensity
52.80420	0.6
53.03952	3.2
55.05513	3.7
57.07068	0.9
59.04983	0.7
60.72020	0.7
67.05484	2.1
69.03419	4.4
69.07058	1.6
71.05000	0.8
75.98946	0.6
77.03920	1.0
79.05499	51.5
81.07049	2.9
83.04988	1.3
83.08626	5.2
85.06512	1.1
91.05488	4.7
93.07041	5.0
95.04987	4.0
95.08588	2.5
105.04497	1.3
105.07037	7.8
107.04959	51.3
107.08587	10.2
109.06548	1.3
109.10145	0.9
111.08090	4.7
117.07007	1.5
119.04977	1.4
119.08588	5.7
121.06568	3.1
121.10158	5.4
123.08093	0.9
123.11694	0.7
125.09629	2.8
127.15121	0.7
129.07021	0.8
131.08586	4.8
133.10118	5.4
135.08041	2.2
135.11702	0.9
137.09581	0.7
142.07841	1.1
143.08589	1.3
145.06564	0.6
145.10129	3.3
147.04439	1.0
147.11684	7.3
149.09637	7.1
149.13243	2.6
157.10129	2.8
158.10965	1.1
159.08040	1.0
159.11694	1.6
160.08852	1.7
163.07533	0.7
173.09593	1.4
173.13280	6.2
175.03914	5.9
175.11221	8.2
177.05472	0.8
182.10973	0.8
187.14841	2.2
189.12738	0.8
190.02718	1.3
191.07091	0.9
191.14313	63.7
192.14691	1.2
197.13257	1.4
205.04967	6.0
215.14302	2.3
215.17841	0.9
218.02130	4.3
233.04440	12.8
233.08034	1.5
233.12038	4.5
233.15367	100.0
234.04764	0.8
234.15765	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1173
Annotation	Drupanin
Peak:m/z	Relative Intensity
53.03961	0.6
55.01874	0.7
55.05525	1.2
64.86660	0.5
65.03937	0.4
67.05516	1.6
69.03429	4.9
69.07078	1.5
69.60004	2.6
70.06627	0.5
72.08127	0.4
79.05492	4.4
81.03421	0.6
81.07039	1.9
83.04992	0.9
86.09698	1.1
91.05479	7.6
93.07074	2.3
95.04977	0.9
95.08604	1.2
97.06543	8.2
105.03405	1.1
105.07042	6.3
107.04964	1.2
107.08580	1.9
109.06531	1.5
111.04448	0.8
115.05452	2.0
116.06252	0.8
117.07003	3.5
119.04951	1.3
119.06106	0.4
119.08579	9.6
120.08139	0.5
121.06506	2.2
121.10106	0.8
123.08051	1.9
128.06244	1.6
129.07037	3.3
130.07820	1.2
131.04938	1.0
131.06929	0.5
131.08568	5.5
133.06487	0.9
133.10139	1.6
135.08060	100.0
136.08434	0.9
137.05986	5.3
139.07533	1.0
141.07018	3.6
142.07768	0.7
143.08568	2.2
144.05658	1.0
144.09360	3.4
145.06506	2.9
145.10138	5.2
146.07301	0.8
147.04414	0.5
147.08076	1.5
147.11703	0.7
149.05925	0.6
149.09567	0.8
151.07549	2.7
153.06932	0.8
154.07796	2.4
155.08568	2.0
156.09363	7.8
157.06479	2.9
157.10112	1.1
158.07269	4.8
159.04420	0.5
159.08087	6.3
159.11699	18.7
160.08766	0.8
160.11972	0.4
161.06032	0.6
161.09605	1.9
163.07603	0.5
169.10141	4.7
170.10893	1.8
171.08072	1.0
171.11739	3.4
172.08838	18.8
173.06033	0.9
173.09633	22.4
173.13203	1.2
174.06752	1.1
174.10385	1.2
175.03902	0.5
175.07574	1.6
178.31841	0.4
182.07217	1.0
187.07571	1.7
187.11194	35.3
188.11510	0.7
189.09055	1.3
189.12743	3.0
191.07008	0.8
191.10680	1.1
197.09642	1.8
200.08434	0.9
205.08623	0.7
205.12262	1.1
215.07277	0.6
215.10687	21.9
215.14058	0.8
218.02193	0.9
233.04446	0.6
233.08160	2.7
233.11720	17.1
233.15277	3.2
245.40692	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	13.5
57.03453	1.1
61.02927	2.1
63.71921	0.9
68.98286	1.0
69.03422	2.1
69.30172	3.3
69.30598	4.5
70.06600	1.5
70.98108	1.1
70.99851	2.8
72.08157	4.9
73.02924	2.5
82.99842	14.5
84.52089	1.1
85.01405	3.8
85.02901	2.7
86.09724	7.2
97.02869	2.9
98.97603	6.2
100.99129	3.0
101.00889	82.6
102.00961	1.3
103.00642	3.4
103.01308	1.0
103.02457	6.8
110.97553	2.7
113.00862	7.0
115.02438	24.5
116.98643	1.9
119.01929	60.6
120.01990	2.7
121.01631	2.3
121.03487	0.9
125.27115	1.0
126.97057	1.2
127.02383	1.1
128.98636	2.3
129.03946	1.3
131.01917	13.5
133.03479	100.0
134.03587	1.2
134.99718	1.2
135.03308	1.3
137.02908	4.7
142.46208	0.9
143.01907	64.3
144.02048	1.4
144.98079	1.1
145.01680	3.5
145.03383	4.5
146.99617	1.4
147.05005	4.2
149.02982	3.4
150.67087	1.0
151.04533	14.5
155.01924	4.3
157.03447	3.6
159.03249	2.2
161.02968	59.5
162.03076	2.0
163.02740	3.1
165.00703	1.1
165.06104	1.7
167.01955	1.2
169.03464	1.4
172.97612	1.6
173.02977	46.2
174.03149	1.8
175.04500	3.0
185.02974	1.9
187.01056	1.4
187.02753	4.2
187.04491	3.0
189.06018	2.4
190.98654	2.4
191.02414	3.3
191.04015	69.4
192.04144	1.8
197.03081	1.4
201.02486	4.7
203.03995	2.3
208.99707	3.6
210.04343	2.3
215.03995	3.5
219.03513	2.9
233.01524	1.4
233.04710	26.5
233.06656	4.9
234.05228	1.3
251.06337	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	1.2
55.41116	0.9
56.25522	1.0
56.96569	100.0
57.03448	1.5
61.02916	2.9
62.61602	1.0
65.57351	1.0
68.00770	1.0
69.03410	1.1
70.06596	2.6
70.14996	3.0
70.98125	22.6
70.99860	1.9
71.95261	2.8
72.08152	3.9
73.02931	5.1
74.06071	4.3
82.99827	8.2
84.08142	1.7
84.96039	3.6
85.01414	1.7
85.02906	3.5
86.09718	5.4
88.99146	2.3
97.02876	2.5
98.20800	1.1
98.97594	19.3
100.99153	31.3
101.00888	34.8
103.00620	4.5
103.02451	1.8
110.97581	48.2
112.99149	10.8
113.00864	5.3
115.00704	6.0
115.02431	11.5
116.98634	22.4
117.01884	1.2
119.00205	10.7
119.01933	31.3
120.02044	1.2
121.01653	4.3
126.97059	1.6
127.02445	1.2
128.41193	1.1
128.98615	37.0
131.00165	5.9
131.01917	8.1
133.01854	8.3
133.03477	38.6
134.99683	5.6
135.00525	1.1
137.02940	3.0
140.98607	5.0
143.00148	2.4
143.01909	20.7
144.98062	2.7
145.01709	5.0
145.03366	2.0
146.99666	13.2
149.02962	2.7
151.04532	6.9
154.96532	1.3
155.01881	1.3
157.03488	2.3
158.99657	6.9
159.01437	1.1
159.03238	1.1
161.01257	4.4
161.02959	23.9
163.02724	3.6
165.00771	1.8
172.97589	4.1
173.01256	14.5
173.02968	23.7
175.00833	2.3
177.00682	3.0
177.02376	1.1
182.02409	5.9
185.02948	1.0
187.00929	1.2
187.02711	1.8
187.04456	2.3
190.98668	8.2
191.02272	56.5
191.04025	36.6
208.99728	4.7
209.03314	12.7
215.04019	2.2
221.03386	1.2
232.99741	1.4
233.03249	10.4
233.05080	15.8
251.04335	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44258	2.4
56.96552	7.2
57.03440	3.6
58.69034	1.9
61.02925	7.1
70.99861	2.9
71.46939	3.9
72.08152	21.4
74.06079	12.4
82.99831	12.4
85.02896	3.6
86.09703	12.6
97.01419	2.7
98.97582	4.8
101.00887	87.4
101.76077	2.1
103.00655	5.4
103.02458	4.4
105.67115	1.9
110.97607	2.3
113.00868	4.5
115.02446	27.1
119.01926	84.7
121.01660	3.7
128.98613	3.0
129.57600	2.0
129.69670	2.0
131.01877	12.2
133.03477	100.0
137.02956	6.5
138.35689	2.0
143.01903	78.3
144.98070	2.7
145.01631	4.0
145.03468	7.1
149.02917	4.4
151.04527	19.1
155.01868	2.7
157.03487	4.6
159.01428	2.6
161.02971	85.0
162.71648	2.3
163.02769	4.8
171.01398	3.1
172.97675	2.6
173.01456	2.7
173.02972	48.9
175.04494	4.0
185.02924	4.4
190.98607	4.2
191.02267	3.7
191.04001	59.9
201.02396	8.2
208.99686	3.6
214.05565	2.4
233.01353	7.3
233.04903	11.3
233.06435	14.1
251.02475	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.5
55.01851	0.5
56.05042	2.6
64.83391	0.4
69.03436	3.5
69.83784	1.3
69.84180	0.7
70.06586	1.0
72.08139	0.8
74.02443	6.2
79.04107	0.5
81.03410	2.0
84.08123	0.5
85.02883	1.7
86.09698	0.6
87.00826	0.6
91.05483	0.6
97.02895	1.1
98.20854	0.9
99.04447	0.8
102.05547	3.0
104.90596	0.4
113.78199	0.4
115.05438	1.3
117.05745	1.7
117.06989	1.0
118.06541	10.7
127.03928	0.9
129.06973	0.7
130.06529	33.6
132.08090	2.0
142.06563	0.8
143.07309	17.9
144.08092	10.6
145.07637	0.6
146.06015	23.2
154.06522	9.5
156.08121	2.4
157.08888	4.2
158.09657	100.0
159.10060	0.8
167.07373	0.9
168.06654	1.1
168.08098	22.4
168.23335	0.4
169.08868	1.3
170.06042	1.9
170.09654	1.7
172.07584	1.3
185.10754	1.2
187.12416	0.7
188.07072	26.5
196.07623	1.8
202.51573	0.5
214.08641	21.0
231.11310	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	231.1018
Annotation	7-Isopentenyloxycoumarin
Peak:m/z	Relative Intensity
53.03936	0.5
53.50721	0.4
55.05505	0.9
58.06599	1.7
62.06069	0.6
62.15499	0.5
67.05502	0.8
68.99788	2.4
69.03423	0.6
69.07075	5.7
69.99121	2.6
70.06577	0.5
72.08130	0.5
79.05497	1.6
81.07054	0.7
91.05490	11.8
95.05011	0.7
95.85024	0.5
97.31171	0.5
98.98457	0.9
103.05493	3.2
105.07039	1.1
107.04966	17.2
112.34464	0.5
119.04958	15.3
119.08618	0.8
129.07034	0.6
133.02867	0.6
133.06462	0.7
133.10133	0.5
135.04424	1.4
146.12021	0.5
147.04440	4.2
148.05280	0.6
163.03918	100.0
164.04221	0.8
175.03923	40.5
176.04704	3.1
185.13309	0.7
187.03893	0.7
189.05479	0.7
203.06947	0.5
230.24759	1.0
230.27243	0.5
231.10181	39.6
231.13853	2.0
231.17371	1.1
231.21086	0.7
231.25221	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	231.1017
Annotation	Demethylsuberosin
Peak:m/z	Relative Intensity
55.01881	0.2
55.05510	0.3
57.35860	0.2
65.03982	0.4
69.03440	0.5
69.29146	1.4
70.06632	0.2
79.05505	0.2
81.07097	0.2
91.05487	12.3
95.08623	0.3
98.20807	0.3
99.04465	0.2
103.05475	0.9
105.07045	0.5
107.08608	0.2
109.45223	0.2
115.05453	0.3
119.04945	6.2
119.05798	0.3
119.08571	0.3
121.02906	0.2
131.04909	0.3
131.08585	0.2
133.06517	0.2
133.10193	0.2
145.06371	0.2
145.10153	0.2
147.04417	20.8
157.10191	0.3
171.11722	0.3
175.03915	100.0
176.04272	1.2
189.05495	2.1
189.09004	0.3
216.04449	0.2
216.06531	0.4
231.06448	0.5
231.10150	7.5
231.13831	0.4
231.17465	0.4
254.34407	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1016
Annotation	Demethylsuberosin
Peak:m/z	Relative Intensity
50.03952	0.5
65.03956	0.5
68.99789	5.4
69.07079	0.7
69.14757	5.9
79.05499	1.5
86.97382	0.5
91.05483	6.6
103.05467	7.5
107.04944	2.9
109.79913	0.6
119.04947	10.3
131.04912	0.9
133.02827	1.4
133.06458	0.6
147.04413	8.6
148.05197	1.9
163.03958	0.6
175.03915	100.0
176.04678	6.9
187.03867	0.9
189.05504	1.3
196.25365	0.5
231.10172	80.1
232.10628	1.3
242.15126	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1017
Annotation	Demethylsuberosin
Peak:m/z	Relative Intensity
50.03941	0.5
53.03951	0.6
64.40116	0.4
65.03951	0.4
67.05493	0.5
68.99793	5.4
69.07062	1.3
69.51254	0.4
70.06561	0.4
70.66476	0.7
70.66784	0.6
72.27399	0.3
77.03940	0.8
79.05502	2.1
81.07043	0.5
83.08631	0.4
91.05481	7.7
93.07040	0.8
102.04691	0.5
103.05470	9.9
104.28491	0.4
105.07056	2.3
107.04967	2.9
107.08622	0.6
115.05489	0.4
117.07015	1.2
119.04952	9.3
119.08577	3.4
129.07027	0.7
131.04950	0.8
131.08582	1.3
133.02856	1.1
133.06522	0.6
133.10146	6.0
143.08578	0.8
145.10147	1.9
147.04410	9.2
147.11734	0.7
148.05235	2.2
149.13322	0.5
157.10127	0.9
161.06007	0.5
163.03899	0.8
167.40938	0.4
171.11790	0.7
175.03915	100.0
176.04686	8.4
187.03912	1.5
188.03700	0.5
189.05463	2.2
203.08504	0.5
213.16379	1.2
231.10173	85.2
231.17516	1.1
232.10387	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1014
Annotation	Demethylsuberosin
Peak:m/z	Relative Intensity
51.02367	0.2
52.27571	0.2
52.89227	0.2
53.03939	0.8
55.01886	0.2
57.75834	0.2
65.03926	0.4
68.99442	0.4
68.99792	4.9
69.03436	2.1
69.07072	1.2
70.73409	0.5
70.73772	0.3
77.03952	0.3
79.05492	2.2
81.03423	0.9
85.02899	0.6
91.05488	6.3
92.99107	0.2
93.07014	0.4
95.04948	0.5
95.08617	0.4
97.02894	0.3
99.04502	0.3
103.05476	7.9
105.03407	0.3
105.07037	1.0
107.04976	2.4
107.71515	0.2
109.02870	0.5
115.05440	0.3
116.31053	0.2
117.06971	0.4
119.04947	8.3
119.08588	0.6
120.05781	0.4
127.03928	0.4
128.06120	0.3
129.07014	0.2
131.04924	0.6
131.08574	0.3
133.01974	0.2
133.02809	1.1
133.06444	0.6
142.07803	0.5
145.06525	0.8
147.04427	8.0
148.05168	1.5
157.10162	0.5
161.06000	0.3
163.03996	0.5
175.03915	97.9
176.04686	7.2
185.09575	0.3
185.13258	0.3
187.03932	1.4
189.05435	1.9
201.05420	0.3
213.12750	0.3
213.16458	0.3
231.10176	100.0
232.10532	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51614	1.7
55.41109	1.8
56.96563	8.2
71.46950	3.2
78.53143	2.1
82.99838	3.9
84.04502	4.5
94.93023	19.7
97.01474	1.7
98.97586	7.4
100.00968	2.1
101.00883	43.6
102.00961	2.5
113.00874	4.2
115.02409	2.5
116.98603	2.7
119.01924	47.6
125.02647	2.6
129.00337	3.7
131.01907	8.2
133.03470	4.2
139.02428	2.5
143.00229	3.4
143.01917	56.3
143.03609	4.5
145.03494	2.3
147.01369	14.9
147.03261	2.1
157.03474	7.8
159.01404	3.3
161.02966	100.0
162.03148	2.7
162.95406	2.0
167.02110	2.8
167.03714	8.4
171.01445	10.8
184.04457	5.6
185.02977	16.8
185.04720	29.5
186.04311	2.9
189.02530	12.3
196.50197	2.0
203.04042	4.2
203.05800	8.1
206.98241	2.4
207.03490	2.9
207.05400	2.4
208.04564	9.0
211.23796	2.2
230.88556	2.9
231.03455	6.0
231.05353	6.8
249.04382	16.9
249.06693	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	231.1017
Annotation	Demethylsuberosin
Peak:m/z	Relative Intensity
53.03933	0.3
55.05498	0.3
56.80948	0.3
58.58929	0.2
65.03931	0.5
68.99786	0.8
69.03452	1.6
69.07071	0.5
70.39397	0.9
71.04999	0.5
79.05517	0.5
80.15959	0.3
81.03398	0.8
81.07037	0.6
85.02902	0.6
87.00830	0.4
91.05484	6.4
93.07042	0.3
95.04971	0.3
95.08601	0.5
97.05531	0.3
99.04479	0.3
103.05503	1.3
105.07042	0.8
109.10165	0.4
115.51160	0.2
118.56938	0.2
119.04945	4.4
119.08522	0.3
119.73737	0.3
121.20689	0.2
127.03893	0.3
128.06180	0.3
143.08554	0.6
145.10176	0.4
147.04416	15.4
157.10165	0.3
171.11667	0.4
175.03912	100.0
175.14841	0.3
176.04298	1.8
185.13248	0.4
189.05493	2.3
203.10693	0.3
213.16295	0.4
231.10176	42.3
231.21153	0.5
232.10571	0.6
243.93353	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76025	0.2
54.98633	0.4
56.81271	0.2
56.96569	22.3
69.07068	0.3
70.06586	0.5
70.38398	0.8
70.98148	0.3
71.95264	2.8
72.96049	1.4
74.97598	0.3
81.65325	0.3
83.97637	1.3
84.08144	0.6
84.96028	0.7
86.09720	3.1
91.33184	0.2
92.20874	0.4
97.99181	0.4
98.97590	100.0
99.97941	0.6
101.00888	1.1
102.00976	0.8
106.19312	0.2
116.00213	1.7
116.98628	34.1
119.01933	0.7
120.02030	0.7
121.01675	0.3
124.00711	0.4
126.02277	0.8
134.01268	1.0
134.99660	6.3
138.02237	0.3
140.00212	0.6
140.03853	1.5
142.05399	1.6
142.08650	0.4
144.03346	0.2
147.03201	0.2
149.77319	0.2
153.00758	0.4
153.02191	0.4
158.04935	1.4
160.06468	1.7
161.04865	0.3
170.04910	1.1
171.03279	1.6
184.06328	0.3
188.00989	0.5
188.04381	0.4
188.05957	1.6
189.00783	0.3
189.02513	0.4
189.04338	4.0
202.07454	0.5
206.07013	5.2
207.05421	1.2
212.05922	0.5
216.00481	0.4
224.08072	4.0
229.98785	0.3
230.05190	0.3
230.07001	8.2
230.09264	0.4
230.15804	1.6
231.05418	0.9
233.95699	0.3
248.08081	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1549
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
51.79457	0.3
56.96574	4.2
58.06602	6.5
59.07374	1.2
60.08165	7.2
61.02924	0.6
68.05016	1.0
70.06596	39.8
70.53200	1.1
70.98109	0.4
71.95242	0.4
72.08153	1.1
82.99842	0.9
84.04477	0.3
84.08143	1.8
85.02937	0.4
86.09687	1.0
91.71051	0.4
96.08147	1.8
98.06081	0.7
98.97589	8.8
101.00889	6.6
113.00871	1.5
114.05548	4.1
114.09203	1.8
115.02445	0.4
116.07099	1.2
116.98645	2.8
119.01926	7.3
121.01678	0.5
124.07596	4.1
126.09150	1.0
126.98814	0.4
127.03896	0.3
129.10214	0.6
129.50751	0.3
130.05048	0.5
131.01927	2.3
133.03470	1.1
134.99675	0.7
137.02940	0.8
140.03751	0.4
142.08638	34.6
143.01903	0.7
144.99860	0.6
145.03444	0.4
149.03052	0.4
157.03549	0.5
160.06473	0.5
161.02969	0.8
168.99792	0.9
170.04849	0.4
170.08128	1.7
171.03357	0.6
177.02480	0.6
186.99280	0.5
187.00887	2.7
188.04048	0.3
188.05951	0.6
189.04358	1.1
199.14499	0.4
205.01877	0.5
206.06947	1.3
215.00369	1.5
221.02795	0.5
224.08070	1.1
229.15485	100.0
230.05110	0.7
230.07121	0.5
230.15825	2.0
248.08105	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.7
56.96563	1.1
57.03422	0.9
58.06601	6.5
59.07384	1.1
60.08173	7.7
60.83974	0.5
61.02917	0.6
65.49869	0.5
68.05023	1.0
70.06596	41.2
70.99841	0.7
71.17912	1.1
71.18230	0.5
72.08142	1.2
73.02897	1.4
80.00230	0.4
82.99844	1.6
85.02903	1.2
86.09702	0.6
96.08133	1.4
97.02892	2.0
98.97578	2.0
101.00883	7.7
114.05558	4.2
114.09171	2.3
115.02470	0.6
116.07069	0.7
119.01925	8.8
121.01669	0.7
124.07601	3.7
126.09187	0.8
128.02344	0.7
131.01929	1.3
133.03456	2.4
137.02872	0.5
142.08640	32.9
143.01895	0.7
144.99828	0.8
147.55826	0.6
148.04765	0.6
161.02995	1.1
168.99774	1.2
170.08089	1.1
175.04463	0.6
187.00937	2.4
215.00337	2.2
216.34464	0.5
229.03278	1.9
229.15486	100.0
230.15761	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89787	0.6
55.05511	8.5
55.70220	0.7
57.03441	19.3
57.07083	1.4
59.05001	4.8
62.68557	0.6
62.93290	0.7
65.03942	2.1
67.05511	100.0
68.05836	1.1
69.07070	1.6
70.06616	1.7
71.05004	4.8
71.48275	0.8
71.48744	0.8
77.36370	0.7
79.05506	2.5
81.07062	15.6
81.69010	0.6
83.08640	6.1
85.06557	3.1
88.73987	0.7
90.89742	0.7
91.05489	6.7
93.07052	3.3
93.40298	0.7
95.08608	6.5
101.90457	0.7
105.07056	1.4
107.08633	2.1
109.10167	83.2
110.10508	1.1
111.08098	2.9
117.07026	0.9
119.08614	6.6
137.09650	3.7
145.10094	1.4
147.04414	0.8
155.10686	6.3
159.11807	0.7
173.11749	21.4
175.03983	1.9
180.09361	0.8
201.05432	0.7
213.05515	1.1
229.08611	8.3
229.14259	21.4
229.19594	2.0
229.23595	3.1
230.10237	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1434
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
55.05512	10.3
56.76662	5.9
67.05508	26.1
68.91941	6.1
69.66010	13.0
69.66413	26.6
70.06582	18.6
77.97273	5.6
79.05485	13.9
81.07047	38.5
82.60807	5.7
91.05488	25.4
93.07056	6.4
95.05015	8.5
95.08588	7.0
105.07031	22.5
119.08588	22.5
121.10136	7.6
123.11694	12.4
129.07010	11.6
145.10162	8.9
147.11703	47.2
159.11633	7.1
165.12697	13.6
171.11726	6.8
175.03970	15.7
175.11224	21.8
187.03859	11.0
187.07564	6.3
188.04286	11.2
193.12267	11.6
206.17020	6.8
213.05528	9.0
229.08656	100.0
229.12292	11.9
229.13992	31.0
229.19537	15.2
229.23546	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	229.0862
Annotation	Benzophenone-3
Peak:m/z	Relative Intensity
54.55302	0.3
63.11522	0.3
65.55939	0.3
67.05499	0.3
68.99795	0.4
70.68211	0.5
70.68545	0.4
71.01368	0.4
77.88214	0.3
91.05471	0.4
95.77982	0.3
101.91375	0.3
105.07035	0.9
115.05517	0.6
117.07005	0.4
128.06219	0.6
129.07007	0.7
130.07797	0.6
131.04933	2.1
131.08574	0.6
132.91335	0.3
141.07030	0.5
142.07785	0.8
144.05659	0.5
145.06477	1.2
145.10129	1.6
151.39600	0.3
152.06206	0.8
153.07011	0.6
155.08574	3.2
158.07283	2.0
159.04483	0.6
159.08044	0.7
165.07040	0.6
167.08569	0.7
168.05714	0.7
169.06548	0.8
170.07309	1.1
171.04439	0.5
171.08067	0.3
172.05330	0.4
173.05949	0.7
173.09659	2.0
183.08104	2.2
184.05171	0.4
185.05983	2.1
185.09619	0.5
186.06766	2.0
187.07549	0.6
193.93152	0.3
197.05925	0.9
198.62187	0.3
199.03914	0.9
200.04727	0.9
201.05415	0.6
201.09134	1.6
207.54268	0.3
211.07549	6.0
213.05472	12.3
214.06264	10.4
214.08356	0.4
215.06740	0.4
227.07043	1.4
229.08612	100.0
230.08839	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.086
Annotation	3,7-Dihydroxy-1,9-dimethyldibenzofuran
Peak:m/z	Relative Intensity
51.18941	0.3
55.05502	1.0
56.22829	0.3
57.03429	1.7
57.96291	0.3
59.04996	0.6
60.08159	0.6
61.94994	0.3
63.05576	0.3
63.19979	0.3
63.31717	0.3
64.52379	0.3
65.03939	4.7
67.05508	28.5
68.99783	0.4
69.03429	0.6
69.07045	0.4
69.92606	0.9
69.93002	0.5
70.06591	0.5
71.04971	0.6
79.05486	0.4
81.07057	1.0
83.08614	0.5
85.02898	0.3
91.05489	8.4
93.07072	0.5
95.08607	0.7
107.04957	12.5
109.09475	0.6
109.10165	6.3
117.06965	0.4
119.04949	8.8
119.08571	1.1
131.04915	0.7
135.04396	0.6
137.09621	0.8
148.42091	0.3
152.06306	0.4
155.08554	1.3
155.10623	0.7
159.04410	1.5
163.03909	100.0
164.04250	1.2
168.05789	0.4
173.02362	0.5
173.11760	0.7
175.03856	0.4
183.08057	0.5
185.05910	0.3
211.07523	1.3
213.05507	0.5
228.26857	0.9
229.08611	28.2
229.14368	1.3
229.19531	0.4
229.23610	0.4
229.27124	2.3
230.08949	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0861
Annotation	3,7-Dihydroxy-1,9-dimethyldibenzofuran
Peak:m/z	Relative Intensity
55.01858	0.6
55.05502	0.6
63.02382	0.3
67.05508	0.9
67.44030	0.2
68.99789	1.5
69.03436	0.3
69.98189	0.4
69.98585	0.4
70.06596	1.3
71.01346	0.4
79.05484	0.5
81.03385	0.3
81.07072	0.3
84.08142	0.2
86.09707	0.3
91.05477	1.4
93.07040	0.6
95.04967	0.2
95.08604	0.4
103.05454	0.5
105.07031	1.8
107.04965	0.3
107.08572	0.2
109.10145	0.6
115.05450	1.5
115.90514	0.2
116.06245	0.2
117.00666	0.2
117.07027	1.6
119.01998	0.2
119.04926	0.4
119.08601	0.3
121.10165	0.3
127.49889	0.2
128.06227	1.1
129.07011	2.2
130.07773	1.0
131.04933	4.6
131.08569	1.6
133.02826	0.2
133.06502	0.6
133.10078	0.3
141.06999	1.4
142.07750	1.5
143.04933	0.3
143.08588	0.9
144.05684	1.3
145.06502	2.6
145.10123	3.1
147.04407	1.5
152.06184	1.7
153.07027	1.4
154.07774	0.2
155.04924	0.4
155.06021	0.4
155.08566	5.5
157.06517	1.1
157.10130	0.4
158.07295	4.1
159.04425	2.1
159.08051	1.5
159.11652	0.5
160.05186	0.5
161.05913	0.2
161.09601	0.8
165.07036	1.3
167.08540	1.1
168.05670	1.1
169.05067	0.3
169.06477	2.0
169.07713	0.2
169.10077	0.4
170.07288	1.5
171.04399	0.9
171.08032	0.7
172.05197	0.6
172.08768	0.3
173.06009	1.5
173.09639	3.5
173.13280	0.5
175.03926	2.8
175.07571	0.2
176.04655	0.4
178.77730	0.2
183.04449	0.4
183.08020	2.7
183.11687	0.3
184.05202	0.3
185.04462	0.3
185.05995	4.6
185.09540	0.6
186.03142	1.5
186.06766	3.5
187.03906	2.5
187.07564	1.1
187.11256	0.4
189.05484	0.8
197.05989	1.8
199.03889	1.9
199.07535	0.6
200.04657	1.5
201.05472	3.2
201.09122	3.2
201.12645	0.2
201.16336	0.3
211.04242	0.3
211.07550	7.9
213.05472	18.2
214.06253	15.5
227.07013	1.6
229.04927	3.8
229.08604	100.0
229.19574	0.8
230.08955	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.086
Annotation	3,7-Dihydroxy-1,9-dimethyldibenzofuran
Peak:m/z	Relative Intensity
55.01858	1.1
55.05489	0.6
57.03435	0.4
57.95607	0.3
58.38057	0.3
60.63731	0.3
65.03940	0.4
67.05503	1.6
68.99790	2.9
69.53733	0.9
69.54144	0.9
70.06606	1.4
71.01317	0.4
77.40276	0.2
79.05496	0.5
81.03408	0.8
81.07058	0.6
86.09714	0.3
91.05484	2.1
93.07058	0.4
95.08595	0.5
98.20719	0.3
103.05473	0.3
105.07026	1.4
107.04951	0.9
109.02901	0.3
109.10158	0.6
113.02364	0.6
115.05466	2.5
117.07046	1.7
119.04936	0.9
125.02365	0.4
125.09612	0.6
128.06216	1.3
128.07031	0.2
129.06995	1.5
130.07780	0.4
131.04933	6.2
131.08543	1.0
132.05713	0.5
133.06476	1.2
133.10118	0.9
133.56084	0.2
141.06989	0.7
142.06691	0.4
142.07761	1.7
143.04913	1.1
143.08519	1.1
144.05676	1.1
145.06480	2.3
145.10143	2.9
146.07243	0.5
147.04419	4.1
148.04781	0.4
149.09547	0.4
152.06216	0.8
153.06998	0.7
155.05989	0.5
155.07196	0.4
155.08554	3.9
157.06514	0.8
157.10120	0.4
158.07254	2.1
159.04422	7.7
159.08011	1.2
159.09187	0.5
159.11662	0.4
160.05133	0.5
161.05974	0.4
161.09634	5.2
165.06953	0.8
165.09143	0.3
166.16275	0.3
167.08592	0.8
168.05742	0.7
169.06461	1.0
169.07761	0.4
170.06006	0.5
170.07230	0.4
171.04408	0.8
171.08116	0.5
172.05197	1.0
173.06017	2.6
173.09624	3.6
175.03920	11.3
176.04405	0.3
183.04419	0.4
183.07816	1.9
183.09518	1.2
185.05972	2.1
185.09630	0.3
186.03123	0.3
186.06784	2.7
187.03912	10.2
187.07426	2.2
187.11197	0.9
189.05463	0.5
197.05988	1.4
199.03900	0.9
199.07552	0.3
200.04706	1.5
201.05461	3.7
201.09062	4.3
204.88445	0.3
211.04024	0.5
211.07564	5.9
213.05472	9.4
213.07480	0.6
214.06250	10.8
227.07024	1.0
229.04912	2.5
229.08603	100.0
230.08884	1.6
233.86615	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.086
Annotation	3,7-Dihydroxy-1,9-dimethyldibenzofuran
Peak:m/z	Relative Intensity
55.05508	0.9
67.05492	2.1
69.03419	0.9
70.06608	4.9
70.63940	0.9
70.64283	1.4
86.09698	1.0
91.05489	5.6
103.05454	1.5
105.07043	1.0
115.05457	2.6
117.07006	2.7
119.04931	2.7
121.02883	0.7
125.09648	1.7
128.06247	2.1
129.06970	1.2
131.04939	14.9
141.06967	1.1
142.07787	1.0
143.04900	1.1
145.06491	3.0
145.10139	0.9
147.04433	11.0
153.07066	0.9
155.04875	0.8
155.08592	4.9
158.07277	1.0
159.04430	23.3
163.03934	0.7
165.06947	1.5
169.06470	1.3
171.04440	1.0
173.05965	7.3
173.09636	1.7
175.03923	60.5
176.04214	1.0
183.08012	1.4
186.03197	3.3
186.06795	1.3
187.03914	25.8
187.07524	6.4
189.05536	3.2
200.04764	1.0
201.05495	11.9
201.09178	3.4
211.07576	2.8
213.05414	1.2
214.06221	3.4
229.05353	6.7
229.08612	100.0
230.08958	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	229.086
Annotation	3,7-Dihydroxy-1,9-dimethyldibenzofuran
Peak:m/z	Relative Intensity
51.02370	0.5
55.01863	1.2
55.05503	1.5
57.03437	0.5
58.31937	0.4
61.16953	0.4
65.03938	0.9
67.05506	3.0
68.99794	0.9
69.03426	0.7
69.07095	0.5
70.06587	1.6
70.53352	1.2
73.62575	0.4
79.05507	0.8
81.03418	0.5
81.07043	0.4
91.05489	6.5
93.03387	0.4
93.07052	0.6
95.08630	0.5
96.72169	0.4
97.06523	0.4
103.05457	2.0
105.07056	2.1
109.02854	0.8
109.10145	1.3
115.05451	2.9
117.07052	3.8
119.04979	2.9
125.09630	0.7
128.06259	2.9
129.07001	2.7
130.07816	0.6
131.04935	18.4
131.08612	0.6
133.06514	0.5
133.10091	0.5
141.06995	0.8
142.07755	1.9
143.04930	1.1
143.08606	0.6
144.05727	0.8
145.06493	5.0
145.10123	2.4
147.04425	10.3
152.06151	0.9
153.07001	1.3
154.07770	0.7
155.06036	0.9
155.08575	6.4
157.06514	0.8
158.07344	2.6
159.04425	25.2
159.08070	1.3
159.11688	0.8
161.09584	0.6
163.03922	1.4
165.07004	2.1
167.08551	1.1
168.05678	0.9
169.06532	2.0
170.07272	1.1
171.04459	1.1
172.05203	1.2
173.06000	8.3
173.09587	3.5
173.13316	1.1
175.03920	48.8
176.04288	1.2
183.08020	2.0
185.06001	2.6
185.09612	0.9
186.06752	2.7
187.03931	22.5
187.07506	7.3
187.11165	1.6
189.05493	3.7
197.05960	1.2
199.03951	0.9
200.04652	1.9
201.05481	13.7
201.09114	4.4
201.12749	1.2
211.07559	5.3
213.05466	9.0
214.06250	8.0
227.06987	0.8
229.08612	100.0
230.08981	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	229.086
Annotation	Resveratrol
Peak:m/z	Relative Intensity
55.01875	0.5
55.05517	0.8
55.25566	0.3
57.09799	0.3
64.12868	0.4
65.03941	1.6
67.05505	4.6
67.66063	0.3
73.58792	0.3
75.49367	0.4
79.05507	0.4
91.05486	11.0
93.03401	0.5
95.04974	0.6
98.20644	0.6
103.05474	3.1
105.07047	2.1
107.04974	0.4
115.05439	4.0
117.07021	5.6
119.04961	4.7
121.02893	0.4
128.06215	4.8
129.07019	3.7
130.07808	0.7
131.04932	30.8
131.08554	1.0
133.06503	1.2
141.06969	1.6
142.07764	1.1
143.04935	0.9
143.08525	0.4
144.05688	1.3
145.06499	5.1
145.10135	1.5
147.04413	20.1
152.06206	0.9
153.06967	1.2
154.07722	0.9
155.04872	1.1
155.06042	1.0
155.08556	5.7
157.06482	1.2
157.10109	0.6
158.07301	3.1
159.04420	39.6
163.03940	2.3
165.06990	2.0
168.05714	1.3
169.06502	1.8
170.07260	0.6
171.04431	1.6
172.05159	1.6
173.05986	15.0
173.09587	2.4
175.03909	100.0
176.04289	1.7
177.05406	0.5
183.04462	1.2
183.08028	2.8
185.06009	1.5
186.06752	2.0
187.03914	34.6
187.07520	14.4
188.04269	0.5
188.07840	0.4
189.05469	7.0
199.03931	0.7
200.04663	1.5
201.05475	23.0
201.09070	3.9
201.77206	0.4
202.05931	0.4
211.03987	0.7
211.07547	3.9
213.05518	0.5
214.06285	3.4
216.06732	0.4
229.08600	97.8
230.08897	2.3
243.39737	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0195
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45213	0.4
55.01868	0.9
55.05511	1.0
56.96296	0.9
56.96563	10.7
57.03436	2.3
57.68264	0.5
58.06603	3.9
58.99861	1.2
59.07378	0.7
60.08163	3.8
61.02928	5.0
68.98306	0.9
69.03425	3.4
70.06593	25.2
70.98119	1.5
70.99857	4.3
71.04999	0.6
71.46790	0.7
71.95244	0.5
72.08160	0.9
73.02915	3.2
81.01039	0.4
81.03414	1.7
82.01839	0.8
82.99839	10.3
83.00302	0.7
83.00729	0.7
83.01495	0.6
83.05016	0.6
83.97634	0.6
84.04521	0.5
84.08153	3.4
84.96043	0.9
85.01411	1.2
85.02892	4.5
85.08485	1.2
86.09705	1.9
86.99338	0.8
88.99152	0.7
89.00860	1.4
91.02382	1.0
96.08131	1.3
97.00526	0.5
97.01384	0.8
97.02352	0.7
97.02892	4.6
98.01316	0.7
98.97585	13.6
98.98209	0.8
99.04459	1.1
100.02457	0.9
101.00883	81.1
102.00943	1.0
102.02303	0.5
103.00613	1.6
103.02412	1.5
108.01588	0.5
108.97760	0.5
109.02254	0.6
109.02907	0.9
110.01280	1.4
110.03204	0.5
110.97551	1.5
112.02851	1.1
112.99148	0.9
113.00852	5.6
114.05521	2.0
114.09168	1.2
115.00672	1.1
115.02426	5.6
116.98618	4.0
117.02018	1.0
118.01045	1.0
118.02822	1.1
118.03590	0.5
119.01919	100.0
120.02028	2.2
121.01659	1.4
123.00181	0.5
124.00926	0.6
124.02596	0.5
124.07623	1.9
124.95507	0.4
126.09145	0.6
126.98773	7.3
127.00681	0.6
127.03959	1.0
127.20089	0.4
127.98870	0.6
128.02298	4.1
128.98607	2.3
129.00291	0.5
129.02167	0.5
129.03944	1.1
129.10217	1.0
131.01904	11.6
132.00844	0.4
133.01605	1.4
133.03477	13.8
133.05067	0.6
134.99655	0.9
135.03096	1.3
137.02943	10.5
139.01518	0.5
140.02283	0.6
142.03528	0.7
142.08638	19.0
143.01883	3.4
144.99829	8.7
145.01637	2.2
145.03471	1.5
146.02318	1.6
146.99629	2.0
147.01329	1.6
147.03156	0.8
147.04996	1.2
148.02087	0.9
148.03859	4.4
149.02991	2.6
151.04512	2.4
153.55887	1.0
154.03864	4.0
154.05713	0.5
154.98276	0.8
155.02863	0.6
157.01608	0.5
157.03448	1.1
158.04901	0.5
158.99576	0.7
159.01424	1.0
159.03294	0.7
159.05019	0.5
159.12743	0.4
160.06465	0.7
161.01511	0.6
161.02940	6.3
162.01828	0.7
162.03136	0.5
162.06412	0.4
163.00879	0.8
163.02814	2.8
163.04411	7.8
163.06380	0.6
168.01814	1.6
168.98364	0.8
168.99834	17.3
169.01343	1.1
170.08173	0.8
170.99527	0.6
171.04868	0.5
172.99327	3.5
173.01544	0.4
173.02945	2.3
173.06584	0.5
173.99510	1.7
174.99149	0.6
175.02750	0.6
175.04556	1.5
176.03381	1.0
177.02388	3.6
178.04977	1.1
179.03979	1.2
181.03690	0.6
184.03142	1.1
184.04721	0.6
187.00899	29.3
187.02611	1.8
187.04521	1.5
188.01025	0.8
188.06067	0.6
189.00732	1.1
191.00412	0.8
191.03944	1.8
196.99330	6.5
197.01094	3.9
201.02504	0.9
203.04106	0.5
205.00212	1.1
205.01991	6.4
205.03870	1.1
206.07127	2.3
207.01704	0.8
215.00368	22.6
215.01920	1.1
216.00494	0.8
217.03833	0.5
219.03510	1.1
224.08069	1.3
229.01683	0.8
229.03526	1.6
229.05891	2.2
229.15477	58.4
233.01457	1.3
237.02721	0.6
247.02933	1.1
247.06749	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.4
56.96291	1.1
56.96555	8.4
56.96801	0.6
69.03444	0.7
69.63038	3.0
70.06595	1.1
73.02943	0.7
75.41772	0.5
84.08147	0.9
85.02899	1.2
87.11485	0.5
96.59717	0.5
98.97572	3.2
101.00916	0.8
107.65010	0.5
109.99193	0.8
112.07614	0.9
116.98629	1.1
124.65849	0.5
129.10268	0.5
136.42557	0.5
138.02242	3.0
142.01736	0.5
155.04643	0.6
156.03331	100.0
157.03629	1.1
168.03336	36.8
174.04401	43.1
186.04395	99.5
187.04752	0.6
192.05397	3.4
204.05453	38.8
209.05998	1.2
222.06447	0.6
228.03314	0.9
228.05447	13.3
228.07718	0.6
228.23280	0.8
246.06503	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	229.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40080	0.8
55.01879	0.8
56.87547	0.8
56.96579	1.0
57.03440	1.4
58.06606	5.0
58.99867	2.0
59.07389	1.1
60.08175	5.8
61.02918	1.9
63.76541	0.7
68.98299	1.2
69.03428	1.7
69.84909	3.3
70.06596	31.8
70.99847	4.5
71.26849	0.7
73.02916	1.1
74.78239	0.9
82.99844	10.9
83.01524	1.1
85.01430	1.0
85.02905	1.2
89.00898	1.5
93.90722	0.7
96.08132	2.0
97.02882	1.4
98.06042	1.3
101.00890	79.2
102.00970	1.2
103.00660	1.3
103.02403	1.4
113.00861	6.8
114.05529	3.0
114.09162	2.1
115.02465	4.5
116.07104	1.6
119.01928	100.0
120.02022	2.3
124.07562	3.1
126.98800	6.6
131.01926	11.9
133.03473	14.6
137.02959	9.3
139.04216	1.2
142.08643	30.2
143.01952	4.4
144.99837	10.2
145.03448	1.5
147.01442	1.2
148.04736	1.8
149.02936	1.3
151.04524	2.9
156.65947	0.8
157.03555	0.8
160.43062	0.9
161.02957	5.9
168.99852	21.0
169.01384	1.9
170.08208	1.2
172.99297	3.8
173.02925	1.4
173.99455	3.2
175.04507	2.8
177.02463	1.5
187.00900	30.8
187.02591	1.6
191.00328	1.3
191.04050	1.7
192.00578	1.2
196.99323	6.6
197.01102	5.5
197.02730	1.0
205.01990	6.3
205.03728	1.1
215.00369	22.4
215.02141	2.0
221.02975	1.8
229.01680	1.5
229.03505	3.1
229.15489	94.4
233.01425	2.0
247.02948	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93160	1.5
53.03942	6.4
55.01870	7.0
55.05515	70.8
56.64251	1.5
56.96555	5.0
57.03421	4.0
57.07070	3.9
59.04998	10.5
65.03957	3.7
67.05510	41.1
69.03450	7.4
69.07068	16.7
69.47511	8.1
70.06608	8.1
71.04991	6.8
72.08154	4.9
73.02931	13.6
79.05499	15.0
81.03430	2.6
81.06599	1.6
81.07062	23.0
82.04209	2.3
82.06563	1.8
83.01322	1.4
83.04986	27.2
83.08613	13.1
84.04507	2.1
84.08145	12.3
85.02908	4.5
85.04041	3.0
85.06542	10.2
86.06073	2.5
86.09711	58.1
89.03899	1.9
91.05491	28.4
93.03379	2.1
93.07054	30.3
95.04976	15.5
95.08614	26.5
96.32526	1.5
97.02902	1.7
97.04032	2.3
97.06542	11.2
97.10182	2.9
98.97571	3.0
99.04470	4.8
99.08093	4.4
100.11263	100.0
101.06022	24.7
101.11617	1.9
103.05464	4.3
105.07027	10.9
107.04970	25.7
107.08600	30.8
109.06528	10.0
109.10165	88.7
110.03679	2.5
110.06033	2.4
110.07159	5.7
111.04443	4.4
111.08089	29.8
115.07590	4.4
117.07039	3.2
117.13902	1.6
119.04945	5.7
119.08568	8.7
121.06517	10.9
121.10158	21.8
123.04455	9.1
123.08072	20.2
123.11751	1.9
124.07590	1.8
125.02429	2.1
125.06010	7.6
125.09641	11.2
126.05518	1.8
128.06277	2.5
129.07030	1.6
129.10194	2.9
131.04961	3.6
131.08589	7.9
132.89041	1.7
133.10129	19.9
135.04378	2.6
135.07118	1.6
135.08064	10.1
135.11725	4.3
136.07582	23.3
137.05995	6.9
137.09616	22.1
139.07562	7.5
139.08673	7.5
139.11154	1.8
140.04683	17.5
143.08531	3.9
144.00278	8.3
145.02895	3.6
145.10126	3.8
147.04425	2.4
147.11673	4.0
149.05966	9.8
149.09647	8.8
149.13261	6.7
151.03979	1.8
153.05486	4.0
153.06801	2.0
153.09103	4.0
155.07018	15.9
156.07726	1.9
158.10980	3.7
159.04431	2.1
161.13280	4.4
163.03922	13.2
163.07596	2.6
163.11185	6.9
163.14859	9.1
164.04300	2.1
165.05513	4.8
167.07051	67.1
168.07458	1.5
169.05002	2.8
171.04466	2.2
171.08054	2.5
173.13263	13.9
177.05429	8.3
178.13535	2.1
179.14340	20.3
181.04976	29.3
181.06532	3.1
182.06337	3.5
191.10579	2.1
191.14322	17.0
192.06490	1.8
195.06496	10.9
196.09673	2.8
196.60245	2.3
197.15405	4.0
199.03865	1.7
199.07509	2.3
199.18114	3.8
203.08092	2.4
205.11618	6.9
209.08148	11.5
209.09842	2.3
209.15401	19.8
209.16902	4.3
216.06583	2.2
227.05119	2.4
227.07047	11.3
227.09177	8.4
227.16475	10.2
227.17552	20.2
228.06963	2.1
228.12225	2.0
231.01781	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74548	0.6
53.03938	0.7
55.05514	40.8
56.05853	0.5
57.07076	3.2
67.05513	1.3
69.07053	1.1
70.06587	0.9
71.41080	0.9
72.08165	0.6
79.05482	0.9
80.99452	0.6
81.07035	1.0
82.06585	14.7
82.52982	0.6
82.62041	0.6
83.04989	9.8
83.08620	19.3
84.08140	1.6
84.08912	0.7
85.06548	0.7
91.05503	0.6
91.58123	7.6
92.08281	0.8
93.07068	1.0
98.09678	3.7
100.07636	4.9
100.09460	11.9
100.11260	100.0
101.11597	3.2
107.08616	0.9
110.06042	14.4
111.04448	8.8
112.07615	1.7
113.08436	0.7
114.09184	3.2
117.13892	6.2
120.11027	0.7
125.09615	1.0
126.09149	3.6
128.07082	3.2
129.05508	0.6
133.11778	1.5
138.12863	0.6
139.08673	1.4
140.07135	1.5
140.10727	1.6
141.11485	24.0
141.61664	2.1
143.11832	2.4
149.13167	0.6
150.67404	0.6
151.11192	0.8
154.12260	9.3
154.47464	0.6
155.11255	5.4
155.12468	1.0
155.61501	0.6
163.64392	13.0
164.14555	1.4
166.16014	1.2
168.13945	0.9
172.15741	4.1
172.65993	0.7
182.15413	23.6
183.15770	1.4
191.14374	0.9
199.18059	15.0
204.66553	1.7
209.16550	7.8
210.14890	9.6
210.16722	1.0
213.17812	42.0
213.67946	5.6
220.69797	0.5
225.16003	3.8
226.19249	1.7
227.07072	1.7
227.17615	7.0
244.20236	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	227.1643
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03931	2.2
55.01863	2.3
55.05513	17.0
57.03427	5.9
57.07066	5.6
59.04988	5.5
60.82890	1.3
65.03920	2.5
67.01861	3.3
67.05499	7.0
68.41443	1.4
69.03439	10.7
69.07073	18.3
70.66618	4.0
71.04661	1.7
71.04997	23.2
73.02895	1.5
73.06564	2.1
79.05482	7.5
81.03416	1.8
81.07054	19.4
83.04989	8.6
83.08627	12.7
84.08130	1.3
85.06549	7.8
86.09686	4.5
91.05479	7.1
93.07047	26.8
95.04974	100.0
95.08598	15.3
96.05303	1.6
97.06529	18.6
97.10165	3.9
98.97557	3.7
99.04450	11.6
99.08099	35.5
100.11263	20.9
103.05441	1.8
105.03399	15.0
105.07041	9.1
106.03689	1.6
107.08587	21.8
109.06533	14.6
109.10161	12.5
110.05998	3.0
111.04417	3.1
111.08080	6.5
113.06031	1.4
113.09645	2.6
115.05482	1.9
115.07582	9.8
117.07023	2.2
119.08559	7.6
121.06487	2.2
121.10146	20.4
121.51131	1.3
123.08068	4.3
123.11718	7.3
125.08739	2.0
125.09626	14.2
127.07552	17.4
128.06229	5.3
128.07097	1.7
129.05476	1.6
129.06863	1.5
131.08551	3.9
133.10141	38.9
135.08075	7.1
135.11687	4.5
137.09567	3.7
138.97607	1.4
139.11160	15.3
140.04652	3.7
141.09084	1.7
141.11469	3.2
142.27940	1.6
143.08533	4.8
143.10651	3.2
144.00223	4.0
145.10187	2.0
147.11731	7.5
149.05945	2.4
149.09633	4.4
149.13249	15.9
150.96898	1.6
151.11150	6.1
153.09111	34.4
155.07022	4.3
155.08426	1.4
159.04424	1.6
163.14806	7.0
163.64372	2.1
165.12657	2.2
167.07031	7.4
167.10675	3.5
167.14305	2.3
168.98045	2.1
171.04333	2.5
171.10187	11.8
173.13255	14.1
177.05475	2.3
181.04950	5.2
182.15424	2.7
184.05174	3.1
185.04462	2.4
191.14333	16.0
194.69649	1.4
199.03844	7.1
199.07504	7.5
199.18129	1.8
203.32384	1.5
209.08093	10.6
209.15288	18.6
212.04799	2.2
213.17879	4.5
224.97163	1.3
227.06975	38.5
227.10440	2.5
227.14360	2.7
227.16344	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1643
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03945	5.6
55.01861	13.2
55.05512	32.1
57.03437	11.1
57.07070	9.2
59.05002	5.7
67.05495	30.0
69.03429	17.7
69.07071	41.1
71.04996	21.5
71.33510	6.1
73.02921	6.0
79.05483	29.5
81.03403	6.9
81.07059	51.1
83.04993	24.1
83.08627	20.4
84.04507	11.4
84.08160	4.5
85.02917	6.6
85.06551	19.8
86.09708	51.4
91.05489	28.1
92.26606	4.8
93.06552	6.0
93.07053	55.3
95.04989	47.3
95.08074	5.6
95.08624	58.3
97.02913	6.9
97.06532	17.8
97.10159	6.8
99.04443	14.2
99.08093	25.4
100.11263	49.8
103.05458	6.9
105.07033	33.5
107.04947	15.3
107.08598	100.0
109.06537	28.7
109.10159	36.0
111.04465	4.8
111.08063	12.2
111.11721	5.0
113.09678	4.4
117.07041	6.7
119.01926	7.2
119.08594	15.8
121.06504	30.8
121.10162	68.1
123.04472	7.4
123.08066	34.2
123.11688	20.6
125.09633	25.8
127.07565	6.4
128.06134	6.0
129.07004	6.0
131.04872	4.0
131.08554	27.4
133.10133	51.8
135.08073	28.6
135.11688	12.3
137.06039	7.8
137.09633	11.6
139.11179	9.2
140.04738	5.3
143.01863	9.5
143.08553	11.4
145.10138	8.0
147.11670	13.6
149.06026	9.2
149.09615	63.0
149.13257	31.0
151.03731	4.4
151.11197	40.4
153.09099	15.5
154.12314	9.0
155.07019	7.4
156.13774	4.1
159.04431	6.4
161.02942	5.8
163.14838	32.3
167.07060	65.7
167.10680	5.9
170.11873	5.3
171.08009	8.7
171.14865	21.6
173.13274	46.5
177.05466	13.8
181.04953	5.0
184.05302	4.1
191.14311	45.8
199.03944	10.8
199.07558	6.8
202.20386	4.5
209.08015	7.0
209.15248	28.5
215.10161	3.9
227.06941	42.5
227.11766	3.7
227.14308	6.8
227.16460	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	227.0916
Annotation	Ficusol
Peak:m/z	Relative Intensity
51.02375	0.9
53.03940	1.8
55.01878	6.9
55.05502	2.2
57.03436	0.8
65.03937	7.6
67.05514	4.2
69.03432	4.0
69.07056	1.4
69.95329	2.7
70.06586	1.6
70.13358	0.6
71.04998	1.6
72.08160	0.6
73.02922	39.2
73.60835	0.5
77.03947	0.6
79.05479	2.2
81.07038	2.0
82.04192	2.5
83.04956	1.0
83.08618	1.3
84.08125	0.6
85.02911	5.3
85.06533	1.5
86.09718	3.2
91.05502	3.9
93.03403	2.4
93.07079	3.0
94.04192	0.8
95.04971	9.8
95.08591	1.7
97.02916	0.7
97.06550	4.1
99.04451	1.3
99.08093	1.5
100.11267	5.9
103.05441	1.4
105.03396	2.8
105.04498	1.1
105.07014	1.3
107.04926	1.4
107.08577	2.7
108.02110	2.0
109.06535	1.5
109.10152	1.7
110.03672	4.7
110.07151	0.9
111.04440	2.3
119.04922	0.7
119.08537	1.1
121.04037	0.6
121.06544	1.5
121.10141	1.9
123.00803	0.9
123.04444	9.1
123.08101	0.9
123.11719	0.8
125.02390	3.6
125.05988	2.9
125.09637	6.3
128.06189	0.8
133.10121	2.1
136.07648	0.6
138.03113	2.3
139.03952	0.7
139.11125	1.1
140.04689	53.0
142.02626	3.0
145.10190	0.6
149.06012	1.1
153.05492	3.8
153.09145	1.4
155.07042	58.9
156.07474	0.9
166.06274	1.2
167.07037	8.7
171.04414	1.0
171.06618	3.3
171.07886	0.8
171.10126	0.8
173.08089	1.8
173.13120	0.7
177.05461	1.6
179.07042	2.3
179.14194	0.7
181.04965	100.0
181.08345	3.2
182.05290	1.2
191.14305	0.9
199.08841	1.0
209.08110	23.2
227.03369	0.6
227.07033	3.2
227.09149	14.5
227.16327	1.5
243.29625	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0915
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03942	3.2
55.01870	6.9
55.05514	9.2
57.03424	3.2
57.07079	0.9
59.04978	1.1
61.02913	1.3
65.03938	3.1
67.05504	5.4
67.72533	1.0
68.99800	1.1
69.03439	6.0
69.07065	6.6
70.06580	2.9
71.04980	3.6
71.47516	1.5
72.08141	1.2
73.02921	10.4
78.04704	3.8
79.05496	7.0
81.03398	2.8
81.07049	7.9
83.04974	3.9
83.08620	3.6
83.15971	0.9
84.08152	1.8
85.02903	2.5
85.06548	3.2
86.09707	19.7
89.03896	1.5
91.05484	13.4
93.07036	10.4
93.23030	1.0
94.04164	1.0
95.01279	1.0
95.04970	16.8
95.08600	5.4
97.02897	1.5
97.06546	7.9
97.10107	1.3
99.04466	3.4
99.08099	2.8
99.11768	1.0
100.11256	30.6
103.05461	7.5
105.03336	1.1
105.04496	2.0
105.07044	2.4
106.04168	2.4
107.04984	4.8
107.08598	6.9
109.06552	4.4
109.10146	3.8
110.03639	2.0
110.07164	3.0
111.04429	3.2
111.08093	3.9
113.09675	1.4
115.05458	2.8
115.07598	1.2
117.03365	1.5
119.04961	1.5
119.08559	2.0
121.06514	14.9
121.10158	5.3
122.03682	1.2
123.04435	17.1
123.08076	3.5
123.11653	1.4
124.05211	3.3
125.02366	3.1
125.05984	3.7
125.09637	23.2
127.04009	1.0
127.07593	1.6
128.06226	8.8
129.07037	1.5
131.04922	7.8
131.08580	2.3
133.10155	4.5
134.03616	2.6
135.04440	1.8
135.08040	1.4
135.11673	1.4
137.05975	10.3
137.09633	2.1
139.03851	1.3
139.11186	2.2
140.04698	16.8
142.02679	1.2
143.08569	6.7
145.02808	1.5
147.04416	1.8
147.11714	1.2
148.05225	2.2
149.05992	14.2
149.09628	2.2
149.13243	1.4
151.03925	1.9
151.11163	1.0
152.04657	1.9
153.05458	2.3
153.06996	1.9
153.09140	3.8
155.07047	20.6
155.08345	0.8
156.07658	1.7
159.04411	6.1
163.03888	1.0
163.07584	2.1
163.11160	1.8
165.05521	2.0
165.07063	1.0
167.07045	100.0
168.07379	1.7
171.04393	5.8
171.06633	2.2
171.08081	6.3
171.10225	1.0
173.08054	1.3
173.13327	2.8
177.03893	1.4
177.05475	26.9
179.14316	2.2
181.04970	27.2
181.06441	2.1
181.08601	3.5
184.05168	4.5
185.06009	2.0
191.07079	3.1
191.14395	2.4
194.05879	0.9
195.06499	1.4
197.15678	0.9
199.03918	6.2
199.07556	11.3
200.07765	1.2
209.08073	17.5
209.09914	1.2
209.15097	2.3
209.16666	3.1
212.04657	2.9
227.03424	3.3
227.07039	32.7
227.09125	5.5
227.16391	4.2
227.17636	3.4
247.36150	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0703
Annotation	Stemofuran A
Peak:m/z	Relative Intensity
53.03932	0.4
55.01870	0.6
55.05508	0.4
57.07072	0.3
61.50068	0.3
67.76038	0.3
68.99798	1.0
69.03436	0.4
69.07063	0.5
70.28508	0.2
70.53361	0.4
70.53697	0.6
71.05000	0.6
76.66695	0.3
79.05496	0.4
81.07047	0.9
86.09693	0.6
91.05477	0.6
93.07053	0.5
95.04977	1.2
95.08620	0.5
97.06528	0.4
99.04447	0.6
99.08073	0.3
100.11262	0.9
103.05460	0.5
105.07061	0.5
105.50827	0.3
107.08624	0.7
115.05443	2.6
119.08552	0.3
121.10131	0.6
125.09635	1.0
127.05395	0.3
128.06232	16.2
129.07016	2.3
131.04933	1.8
131.08577	0.5
133.10132	0.6
140.06145	0.3
141.06981	1.6
143.04918	0.5
143.08569	14.1
145.06453	0.4
151.11176	0.3
152.06207	0.8
153.07014	2.9
154.07762	0.9
155.04950	0.5
155.06102	1.4
155.08569	2.1
156.05670	2.0
157.06509	0.7
158.03706	0.3
159.04428	4.8
167.07014	0.7
169.06427	0.4
171.04427	9.4
171.08052	9.5
181.05020	0.6
181.06474	1.2
183.08084	1.2
184.05197	9.6
185.05945	1.7
187.03931	0.4
199.03925	16.4
199.07544	17.4
209.98987	0.3
212.04684	5.8
227.07037	100.0
228.07260	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.6
55.01875	4.3
56.96561	8.0
57.03427	9.7
58.99861	5.6
61.02937	12.0
68.98295	11.5
69.03435	12.9
70.06596	6.0
70.99857	5.3
71.04986	4.2
73.02905	7.5
74.26292	2.2
79.24022	2.3
80.02945	2.1
81.03416	16.9
82.01446	3.4
82.99844	8.9
83.04970	2.8
84.04505	4.8
84.08136	6.2
85.01389	3.6
85.02919	16.5
86.99329	6.9
89.00861	3.3
92.93796	2.0
93.03717	2.3
97.01399	6.1
97.02897	33.5
98.97573	9.7
99.04449	2.9
100.00095	4.0
100.02481	2.8
101.00888	89.4
102.00959	8.4
103.00630	3.4
103.02444	4.9
103.03918	2.2
105.00364	2.4
109.01383	4.6
109.02879	18.7
110.01355	2.2
110.07147	2.2
110.97559	2.8
113.00919	12.9
114.00979	4.3
115.02449	11.5
115.03133	2.6
116.07076	5.4
116.98637	3.5
118.01154	3.6
119.01924	100.0
120.02026	7.6
126.98772	2.5
127.02425	22.2
127.03911	8.2
128.02379	3.2
129.03976	9.9
131.01921	25.4
132.01999	6.5
133.03499	11.7
134.03525	2.4
137.00801	2.4
137.02940	11.7
137.04575	2.5
139.02420	8.5
139.87718	2.2
141.04010	4.9
142.01108	3.5
143.01904	31.3
144.99820	4.4
145.01678	4.1
145.03479	62.6
146.03569	7.3
146.04984	22.9
147.01382	9.0
147.05057	22.0
149.02892	4.9
151.04462	2.3
153.03987	3.2
153.05794	3.1
155.01886	19.8
155.05608	13.2
156.02095	4.1
156.03348	7.1
156.07698	2.7
157.03505	35.8
158.03621	5.4
159.01425	4.4
159.05017	7.3
160.02202	3.0
161.02977	34.8
162.03099	3.3
163.04546	3.7
165.06036	5.0
166.56245	2.8
167.01883	14.0
168.03491	3.0
169.03482	38.3
171.01410	19.6
171.05034	14.0
172.99335	3.3
173.02979	31.8
174.03101	8.0
174.04457	3.1
175.02669	4.3
175.04527	9.9
177.02426	4.9
179.01953	5.5
181.03481	12.0
183.05110	3.9
185.02971	69.7
185.04620	4.7
186.04384	6.5
186.05989	2.7
187.04527	41.1
189.02408	7.2
189.06084	4.0
191.00378	2.3
191.03993	4.9
196.00974	3.9
197.02968	27.2
198.86057	2.3
199.04509	10.6
201.06099	2.9
203.04033	28.2
204.03993	10.5
209.02934	9.3
213.02440	5.2
215.04051	22.1
221.05022	3.6
222.03302	3.8
222.05270	10.4
227.03993	37.4
233.05013	3.8
245.05029	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	226.1074
Annotation	3-hydroxy-O,5-dimethyl-L-tyrosine
Peak:m/z	Relative Intensity
51.42050	0.4
53.03943	0.7
54.35973	0.3
57.72262	0.4
65.03931	0.5
67.05508	0.9
69.03410	0.5
69.15842	3.8
70.06580	1.1
79.05501	4.7
80.05022	1.3
80.05557	0.3
81.07037	0.9
82.06584	0.7
91.05491	2.1
93.07048	4.4
94.06606	0.8
95.04990	1.0
95.07352	1.3
95.08650	0.5
96.08126	3.5
97.06533	0.4
99.04484	0.4
100.11259	0.7
103.05476	2.9
105.04550	0.4
105.05799	0.9
105.06990	0.4
106.06543	0.8
107.04945	0.8
107.07354	1.0
108.08118	1.7
110.07217	0.4
110.09686	5.3
118.06561	1.1
120.08114	100.0
121.08420	2.0
122.06013	0.4
122.09682	6.3
124.07580	0.4
128.06238	0.6
136.07538	0.5
138.09152	16.4
148.07585	9.0
152.10710	1.3
160.81213	0.4
166.08641	5.6
167.07057	0.6
180.10208	31.1
181.10588	0.6
194.08165	1.0
198.11250	4.2
198.14867	0.7
208.09708	9.2
208.13933	0.6
209.08170	0.6
209.12973	0.5
226.10783	15.8
227.07025	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1487
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
52.50441	2.6
53.03947	6.7
55.01883	5.7
55.05512	24.5
55.68277	2.4
56.05027	3.0
57.03437	11.8
57.07080	4.1
59.05011	4.8
65.03941	6.8
67.05501	22.0
69.03426	14.2
69.07073	17.0
70.06599	6.9
70.12294	6.3
71.04992	16.7
72.08161	3.4
77.86163	2.5
79.05497	26.6
81.03423	41.8
81.07061	49.1
83.04978	28.5
83.08618	6.8
83.73389	2.7
84.04503	5.3
84.08138	12.6
85.02913	49.0
85.06552	6.7
86.09723	10.7
86.65977	2.5
87.04469	3.0
91.05488	62.2
93.07041	21.9
95.04974	100.0
95.08611	34.2
97.06542	20.0
97.10178	4.6
99.04459	52.9
99.07563	2.4
99.08099	15.0
99.56281	2.7
103.31404	2.5
105.03389	9.4
105.07039	30.4
106.06580	2.8
107.04971	23.4
107.08603	40.0
107.20158	2.9
109.02905	3.5
109.06530	32.7
109.10169	15.2
111.04459	3.4
111.08074	8.4
113.06012	2.6
113.09605	2.8
115.05460	2.8
117.07005	4.0
118.04206	5.5
119.04948	52.8
119.08582	32.3
121.06530	10.1
121.10147	25.4
122.03703	3.0
123.04465	10.0
123.08067	46.4
123.11730	12.7
125.06007	9.5
125.09644	25.0
127.07545	7.0
131.08606	6.9
132.02094	4.7
133.02866	3.8
133.06598	3.1
133.10153	11.6
134.06020	10.1
134.07076	2.7
135.04427	10.8
135.08064	27.7
135.11707	7.1
136.07564	3.9
137.05975	18.6
137.09630	13.1
137.13258	6.4
139.07620	3.1
139.08624	4.1
141.06955	3.1
141.09119	11.5
143.08627	4.7
145.10127	7.6
147.04416	52.5
147.08055	7.2
147.11700	27.2
149.02354	6.5
149.09613	28.6
149.13341	3.4
151.03909	7.2
151.07550	14.8
151.11185	10.1
153.05501	4.8
153.09126	21.6
156.09361	3.7
157.04022	5.2
159.11684	5.9
161.02356	4.3
161.09639	6.1
161.13260	17.7
162.05505	37.9
163.03938	15.5
163.11179	13.4
164.04729	8.3
164.07059	13.6
164.10695	5.1
165.01857	9.3
165.05470	14.6
165.09117	5.5
165.12788	11.5
167.07111	6.3
167.10725	6.1
169.08623	4.1
171.11670	5.8
174.10463	2.5
175.03923	61.6
175.05312	4.5
177.12767	7.7
179.07076	7.1
179.14293	7.0
180.04196	39.4
180.06630	10.9
182.08406	3.2
183.06607	11.2
183.13855	5.2
189.12766	24.8
190.04988	20.6
192.04138	23.4
193.04968	22.2
195.06580	8.8
195.13899	7.0
197.06047	6.9
197.07878	2.9
197.12959	2.8
207.06235	64.0
207.13831	47.3
208.06055	44.1
225.05620	4.7
225.07239	13.7
225.12563	6.0
225.14806	50.6
227.04269	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	225.1486
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
53.03942	1.2
55.01865	2.2
55.05517	8.0
57.03436	1.4
57.07082	5.4
59.04998	3.2
66.15221	0.9
67.05495	5.4
69.03438	6.1
69.07069	6.0
70.06588	1.3
70.23875	2.9
70.24226	1.2
71.05000	35.9
79.05508	7.6
81.03405	3.1
81.07064	12.3
83.04971	5.4
83.08636	6.1
84.28206	0.9
85.02924	2.5
85.06558	1.9
91.05468	7.4
93.07052	6.2
95.04974	4.3
95.08613	12.0
97.06541	10.3
97.10166	1.1
99.04462	100.0
99.08076	2.9
105.03407	2.6
105.07032	12.9
106.75134	1.0
107.04973	6.6
107.08601	37.3
109.05802	1.8
109.06528	25.4
109.10166	4.1
111.04396	1.8
111.08103	4.4
111.11745	1.3
113.09688	5.5
115.05414	0.9
119.04949	2.6
119.08598	5.1
121.06528	1.5
121.10138	11.9
121.56594	0.9
123.04408	2.1
123.08080	17.0
123.11719	16.3
125.05993	3.2
125.09637	13.4
127.07581	2.0
127.92444	1.0
129.05421	0.9
131.08565	1.9
133.02853	1.3
133.10117	4.4
135.04437	1.6
135.11684	2.3
137.05959	3.9
137.09599	2.3
137.13246	2.6
139.07552	2.0
139.11194	3.7
141.06989	2.2
141.12746	1.8
145.10147	1.8
147.04417	2.7
147.11659	7.8
149.09621	12.0
151.03880	2.6
151.07614	2.8
151.11127	1.9
153.06979	2.1
153.09192	1.3
155.08537	1.9
161.09528	1.3
161.13237	3.1
163.03940	2.9
163.11227	1.7
165.05467	3.2
165.06789	1.1
165.12767	11.0
167.07059	3.0
167.08522	1.2
167.10686	21.1
169.10117	3.0
175.03908	3.4
179.10732	1.5
179.14287	5.1
180.04189	5.7
181.04976	1.6
181.06499	3.5
181.10152	1.4
182.07278	1.0
183.06525	1.5
183.12027	1.5
183.13824	32.3
189.12770	4.3
192.04204	1.2
193.04956	2.8
195.06578	1.9
207.06535	3.5
207.10246	1.0
207.13785	10.8
225.05441	1.8
225.07527	3.5
225.09216	3.4
225.12764	2.3
225.14868	13.6
225.16214	2.1
225.18237	1.1
233.00700	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1485
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03944	1.3
54.53337	0.8
55.01863	1.7
55.05510	4.7
57.03436	1.1
58.56385	0.8
65.03927	1.0
67.05510	8.0
69.03437	4.7
69.07054	4.0
70.60355	1.6
71.04996	14.5
79.05501	8.5
79.40781	0.9
81.07061	8.1
83.04967	3.0
85.02895	0.9
87.04514	1.1
91.05493	11.3
93.07047	17.2
95.04955	2.3
95.08604	5.9
97.06538	4.1
99.04444	1.5
101.05977	0.9
103.05473	1.1
105.06395	1.6
105.07040	17.0
107.04929	1.5
107.08592	9.2
109.06524	4.9
109.10163	16.2
111.04449	0.9
111.08060	2.7
117.06994	1.4
119.04933	2.4
119.08585	14.4
121.06503	2.1
121.10150	42.4
123.04379	0.9
123.08084	6.3
123.11741	1.5
125.05988	2.0
125.09643	3.5
128.06206	0.9
129.06953	1.1
131.08539	3.8
133.06586	1.5
133.07582	1.0
133.10117	5.7
135.08061	1.9
135.11697	3.7
135.58168	1.0
137.05943	1.6
137.09627	25.2
141.06990	1.5
143.08556	1.9
144.17815	0.9
145.10135	1.9
147.04344	2.5
147.08060	3.5
147.11693	11.1
149.09627	100.0
150.09950	1.7
151.07558	1.7
151.11194	1.1
156.09309	2.8
159.08046	1.2
159.11856	1.0
160.08870	1.3
161.09573	1.9
161.13268	10.6
162.58849	1.0
163.11189	1.2
165.09085	1.2
165.12732	4.0
167.06917	1.0
171.11653	5.8
174.10426	5.7
175.03897	1.3
179.14322	1.3
187.03867	1.0
189.12770	19.5
197.06056	1.5
198.22581	0.9
207.06491	2.6
207.13768	7.2
225.05463	1.6
225.10176	1.9
225.12770	1.4
225.14830	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	225.1486
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
55.01877	3.8
55.05515	12.1
56.05000	2.8
56.92468	2.3
57.03421	2.9
57.07067	3.3
59.04995	3.3
65.37372	2.6
65.70087	2.8
67.05514	32.9
69.03432	100.0
69.07073	17.0
70.06583	4.7
70.61480	4.7
71.05000	17.5
79.05496	22.7
81.03414	5.6
81.06660	3.4
81.07061	42.3
83.04984	14.8
83.08614	12.8
85.02888	9.5
85.06546	6.0
90.51517	2.6
91.05492	21.9
93.07040	27.5
95.04967	19.3
95.08075	3.1
95.08617	34.4
97.02894	4.6
97.06542	15.5
99.04459	36.0
99.08133	2.5
105.03403	4.7
105.07035	50.7
107.04927	8.7
107.08605	31.0
109.06534	31.6
109.10156	14.5
111.04449	4.3
111.08082	10.9
112.85069	2.6
117.07015	4.1
119.04922	5.1
119.08584	38.8
121.06495	7.6
121.10162	33.2
122.07291	7.1
123.04457	18.8
123.08076	24.0
123.11716	13.0
125.06013	6.4
125.09672	15.0
131.08566	5.6
133.06496	16.2
133.10144	56.2
135.04451	3.0
135.08090	5.3
135.11714	6.3
137.05957	8.1
137.08708	3.3
137.09644	46.5
139.11185	18.2
145.10146	8.3
147.04456	6.0
147.08040	9.9
147.11693	43.5
149.09628	13.3
151.07541	15.2
151.11130	3.9
155.08510	3.5
156.09375	9.6
159.08049	5.1
159.11720	4.9
161.09630	5.9
161.13275	16.9
163.11186	12.6
165.05482	6.1
165.09048	3.2
165.12756	7.5
167.07092	5.0
167.10681	8.5
171.11708	9.0
174.10408	12.4
175.03935	4.2
177.12891	3.6
178.04927	4.8
179.06961	4.4
179.14192	3.6
180.04143	5.2
183.11569	3.4
183.13818	7.8
189.12761	27.5
207.06496	8.3
207.13814	34.9
224.61279	3.0
225.09204	3.3
225.14584	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	225.0091
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24164	1.0
51.84193	1.0
54.07801	1.0
62.05976	1.3
65.31849	1.3
70.80560	3.0
71.98289	1.1
73.37611	1.0
77.69527	0.9
80.71852	1.0
82.99844	7.5
84.96024	1.2
84.99385	1.0
101.00890	41.6
103.91814	1.0
116.98862	1.4
119.01927	54.2
122.97778	1.5
134.99911	3.1
137.02972	6.0
140.98849	12.7
142.03523	2.8
158.99905	27.8
159.01175	1.1
159.99985	2.0
161.02972	1.9
167.06270	1.2
175.03000	2.0
177.00958	88.7
178.01051	3.4
179.03990	2.6
182.99867	3.7
200.02446	1.2
201.00883	13.2
201.02338	1.3
202.02791	1.1
217.04079	13.2
219.02010	100.0
220.02130	7.5
225.00948	4.4
234.00728	1.7
243.01970	28.1
244.02013	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51958	1.7
53.03942	5.6
54.08787	1.7
55.01862	3.5
55.05518	12.5
57.03435	9.3
57.07090	3.3
59.05013	2.8
62.16407	1.9
65.03938	7.4
67.05511	11.1
69.03423	6.3
69.07069	7.3
69.43990	1.6
70.06606	2.7
71.04946	4.0
72.08176	2.2
74.49780	1.7
79.05497	13.1
81.03427	19.6
81.07065	21.3
83.04984	13.9
84.04465	2.8
84.08158	5.5
85.02912	20.5
85.06557	2.4
86.09710	3.7
87.04476	5.4
89.03908	2.8
91.05486	84.5
93.07050	13.5
95.04967	21.7
95.08617	20.0
97.02934	2.0
97.06514	10.1
98.09717	2.0
99.04484	17.1
99.08112	3.2
101.06030	2.1
103.05488	3.3
105.03398	4.9
105.07036	15.4
106.06556	7.1
107.04966	11.9
107.08600	17.7
109.06529	16.0
109.10171	8.0
111.04443	2.9
111.08086	5.2
115.05481	3.1
117.07040	3.4
118.04159	9.7
119.04948	68.6
119.08586	15.6
120.04505	2.5
121.02901	3.3
121.06506	3.9
121.10169	11.7
123.04417	9.2
123.08070	20.6
123.11710	8.1
125.06008	4.8
125.09628	12.9
127.03793	2.2
127.11197	3.0
129.03407	2.3
131.08607	4.4
132.02098	5.6
133.02843	4.6
133.10162	5.7
134.06020	25.3
135.04405	6.5
135.08081	16.7
135.11676	3.4
136.05255	2.5
136.07578	4.1
137.05974	7.8
137.09619	8.3
137.13263	2.4
139.07585	2.9
139.08653	3.1
141.06985	4.4
141.09125	3.7
144.04443	2.1
145.10146	2.6
147.03242	3.1
147.04424	62.4
147.08060	4.5
147.11702	10.6
148.03937	7.1
149.02342	13.3
149.09624	17.4
151.03883	2.5
151.07549	8.1
151.11200	5.7
153.05482	3.5
153.09096	4.4
156.09384	2.4
157.03983	8.2
159.11684	3.4
161.09570	3.2
161.13245	8.9
162.05511	91.9
163.03918	9.0
163.11208	8.8
164.04787	11.7
164.07062	22.8
164.10718	3.4
165.01813	3.9
165.05557	4.9
165.09132	5.1
165.12779	5.4
167.06982	3.8
167.10652	3.1
171.11671	3.9
175.03917	100.0
177.01848	4.4
177.12747	6.7
179.06906	3.9
179.08234	8.1
179.14278	4.7
180.04192	18.9
180.06567	21.3
180.08044	3.0
183.06593	3.1
189.12773	15.3
190.05014	51.9
192.04179	28.5
193.04988	8.2
195.13849	2.5
197.06055	4.4
197.08067	2.4
207.06496	80.3
207.07869	50.8
207.10910	3.0
207.11755	2.7
207.13777	23.8
208.06062	95.1
225.07520	7.3
225.09277	3.0
225.12535	4.9
225.14868	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	224.1283
Annotation	Maokonine
Peak:m/z	Relative Intensity
51.68945	0.5
53.03965	0.8
60.08167	100.0
68.92005	0.7
91.05484	6.7
92.28492	0.5
93.07034	0.7
95.04975	27.0
103.05495	2.7
109.06521	1.6
119.04949	39.7
120.37879	0.6
121.06568	1.8
121.33222	0.7
123.04436	98.0
124.04747	0.7
137.05959	0.9
147.04420	30.9
165.05487	62.4
194.52417	0.6
205.36568	0.6
213.58398	0.6
224.12830	48.0
241.30965	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.1281
Annotation	Maokonine
Peak:m/z	Relative Intensity
53.03952	0.9
60.08167	98.9
62.06090	1.1
69.62781	3.6
71.54313	0.6
74.06085	0.9
77.03978	0.8
86.06061	2.0
91.05477	6.3
93.07063	1.0
95.04974	25.2
103.05494	2.7
104.07126	2.0
105.80186	0.6
109.06538	0.8
119.04946	40.3
120.98928	0.6
121.06499	1.7
123.04434	100.0
124.04814	0.9
137.06050	1.4
144.99837	0.7
147.04411	30.7
161.70267	0.6
164.07071	2.0
164.09229	1.6
165.05484	67.2
166.05853	0.8
181.18643	0.6
188.09143	0.7
206.10287	0.9
209.06779	1.0
224.09192	2.1
224.12843	48.4
225.13213	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13194	0.3
55.01872	0.4
55.05511	0.6
60.08154	1.4
67.05508	0.7
70.06577	0.4
71.47183	0.3
72.08166	0.4
83.04989	0.5
84.08134	2.5
86.09695	0.4
89.32796	0.3
89.79565	0.3
91.05492	1.5
93.07020	0.6
95.04970	1.2
95.08616	0.3
96.05334	0.4
97.02911	0.3
98.97579	0.4
105.06986	0.8
107.04943	0.4
107.08623	0.5
108.05352	0.4
110.19628	0.3
119.04936	1.1
119.08599	0.5
121.06506	0.5
123.04446	1.3
123.08101	0.4
125.05951	0.4
129.10257	0.5
131.07382	0.4
136.07593	0.6
145.10085	0.3
146.09669	0.3
147.04379	1.0
152.05287	3.4
153.02434	8.0
164.07002	0.4
164.10619	0.4
165.05492	0.7
166.03252	0.8
169.01373	0.3
175.03906	0.6
177.94153	0.3
178.08636	0.8
180.04793	14.6
181.05565	42.2
182.06268	1.4
182.08034	0.6
206.10022	0.6
207.06555	1.1
207.13757	0.6
224.11043	100.0
225.11308	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.133
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
53.03941	3.8
55.01862	5.9
55.05511	23.2
57.03439	6.9
57.07062	2.2
59.04992	4.7
61.02920	2.6
61.41697	1.3
65.03938	2.0
67.05507	9.4
69.03428	14.6
69.07075	12.4
70.06592	3.4
70.45365	2.9
70.45746	2.9
71.04981	6.5
72.08157	10.1
73.08517	1.4
77.03955	1.7
79.05500	13.7
81.03413	5.4
81.07063	15.9
83.01334	4.4
83.04990	17.8
83.08606	2.5
84.08139	6.0
85.02444	2.3
85.02914	29.4
85.06543	3.7
86.09700	4.1
87.04472	2.6
89.06020	4.5
91.05475	19.6
93.07051	34.8
95.04972	16.2
95.08617	15.9
97.02897	2.2
97.06538	6.4
97.10186	13.9
98.97589	6.8
99.04450	2.4
101.06008	2.8
103.05466	3.9
105.04518	2.2
105.07041	18.6
107.04962	6.9
107.08608	22.9
107.83288	1.2
109.02852	2.2
109.06516	15.9
109.10139	7.3
111.04431	2.4
111.08096	20.1
113.05997	4.9
115.05422	3.3
117.07033	6.2
118.06513	2.9
119.04986	2.4
119.08580	20.4
120.08112	10.7
121.02843	1.3
121.06514	49.8
121.10146	21.5
123.04401	4.5
123.08079	14.5
125.06014	3.5
125.09635	7.0
129.07030	2.9
129.10246	3.4
130.07803	2.0
131.08574	7.9
133.06451	1.4
133.10146	17.2
135.04390	2.5
135.08052	22.7
135.11714	14.1
136.07555	3.4
137.05960	5.2
137.09605	10.2
139.07542	11.4
139.11150	2.0
142.07701	1.5
143.08530	3.1
144.09328	4.1
145.06477	3.9
145.09093	1.4
145.10147	16.1
146.07268	2.2
147.08020	7.9
149.02348	7.4
149.05977	8.4
149.09619	47.1
149.13234	5.8
150.10249	1.7
151.11189	5.4
153.05571	1.4
153.09036	3.6
157.10126	2.9
158.99658	2.7
159.11690	21.4
160.80626	1.4
161.09654	12.6
161.13336	1.2
163.03900	7.8
163.07535	3.8
163.11183	26.9
164.07092	1.5
165.05472	1.6
165.09105	15.7
165.12724	1.6
167.01602	1.6
167.07039	4.1
169.10175	1.7
172.08810	4.1
173.13116	1.6
175.07440	2.2
175.11156	6.9
177.05444	5.2
177.09122	2.6
177.12752	28.7
178.73669	1.4
179.10651	11.0
181.08609	2.6
181.12196	2.3
187.04063	1.5
187.11159	11.7
191.07089	1.4
193.12115	1.8
195.06319	1.5
195.13792	5.1
205.04950	4.2
205.06766	1.6
205.08615	2.7
205.12250	39.7
209.04352	2.5
210.86057	1.3
223.00621	2.5
223.05939	6.2
223.07822	5.9
223.09604	4.3
223.13283	100.0
223.16893	4.0
224.13469	2.4
225.04321	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	223.1078
Annotation	Phe Gly
Peak:m/z	Relative Intensity
55.05503	0.8
56.96556	0.6
57.07063	0.5
60.04513	0.2
60.08156	0.2
65.03963	0.2
67.05502	0.6
69.03423	0.4
69.07053	0.5
70.06590	1.9
70.38255	0.6
71.04986	0.3
71.06940	0.3
72.08154	2.2
72.93767	0.2
73.04753	0.2
73.08512	0.2
79.05496	0.7
81.03421	0.4
81.04540	0.3
81.07047	0.5
83.05005	0.5
84.04507	0.6
84.08143	2.5
84.89911	0.2
85.02881	0.4
85.06510	0.2
86.09711	1.4
88.82354	0.2
89.49932	0.2
91.05473	1.5
93.07046	2.1
95.04995	0.6
95.08613	0.5
97.02872	0.4
97.06505	0.4
98.97565	0.4
98.98491	0.2
103.05463	6.2
105.07079	0.5
107.04980	0.4
107.08583	0.4
109.02874	0.3
109.06580	0.3
109.10146	0.3
110.06066	0.2
110.07183	0.3
111.08076	0.3
115.05460	0.2
116.07054	0.2
116.98615	0.2
117.07015	0.3
118.06528	0.3
119.04939	0.3
120.08110	100.0
121.02882	0.4
121.06509	0.8
121.08450	0.8
121.10159	0.6
122.07169	0.3
123.04438	0.6
123.08095	0.2
129.10229	1.2
130.08607	0.5
131.04926	0.4
135.04420	0.4
135.11696	0.2
136.07571	0.7
137.05933	0.3
146.05992	0.8
147.11359	0.3
149.02364	2.1
149.05951	0.5
151.03925	1.7
152.04262	2.7
159.11717	0.3
163.03926	0.8
165.05461	0.4
166.08681	1.1
177.05505	0.4
177.10304	0.3
178.03297	0.3
178.08635	0.6
194.12083	0.2
195.02435	0.4
205.05087	1.3
205.06903	0.4
209.01199	0.7
223.02023	0.8
223.05876	1.7
223.07733	0.9
223.11206	2.3
223.13472	0.5
223.17009	0.5
224.03616	0.2
225.04292	5.0
226.04491	0.3
227.02205	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0603
Annotation	2-Hydroxy-4-hydroxymethylbenzalpyruvate
Peak:m/z	Relative Intensity
52.72321	0.5
53.03937	0.9
54.02642	0.4
55.01859	1.6
55.05511	3.6
56.05033	0.7
56.96549	0.7
57.03438	0.6
57.07072	0.4
60.05623	0.6
65.03947	0.4
67.05510	0.7
68.99795	1.4
69.03414	1.8
69.07064	1.1
70.06594	3.5
71.04984	1.0
71.48325	0.7
72.08161	13.0
73.08465	0.5
74.06104	0.6
77.03933	0.4
79.05503	3.1
81.03411	1.2
81.07053	1.5
83.04987	1.5
83.65357	0.4
84.04502	2.1
84.08144	3.3
85.02882	1.6
86.09721	3.1
91.05487	6.8
93.07057	4.6
94.06572	1.6
95.04995	2.1
95.06149	0.5
95.08599	0.7
97.02888	0.5
97.06535	0.4
98.97580	0.6
99.04432	0.5
103.05468	5.7
104.05822	0.6
105.03377	0.5
105.04540	1.0
105.07034	4.7
107.04964	2.0
107.08581	1.2
108.08107	0.8
109.02872	0.6
109.06504	1.3
109.10165	0.6
111.08083	1.0
112.08681	0.5
115.05452	1.7
117.07038	1.2
118.06547	3.0
119.04956	2.2
119.08640	1.0
120.05735	0.5
120.08116	17.1
121.02924	0.6
121.06513	8.8
121.10142	1.0
123.04431	1.7
123.08047	1.1
125.09693	0.4
129.07022	0.6
129.10242	1.1
130.04968	0.7
131.04933	10.7
131.08563	1.0
132.05283	0.7
133.06487	2.8
133.10129	0.7
135.04420	1.4
135.06830	0.4
135.08063	0.9
135.11650	0.7
136.07594	6.0
137.05981	1.1
137.07951	0.6
137.09651	0.6
139.07549	1.2
143.04910	0.4
143.08562	0.5
145.10162	0.9
147.04439	2.8
147.11374	0.5
148.05206	5.0
149.02356	4.2
149.05998	12.3
149.09601	2.6
150.06354	0.6
151.03934	2.2
151.05876	0.6
152.04269	0.5
158.99599	0.4
159.04443	1.9
159.07944	0.5
160.04778	0.7
161.02368	0.6
161.05975	1.6
161.09694	0.5
163.03926	4.0
163.07585	0.9
163.11188	1.6
164.07100	0.7
165.05466	1.7
165.06815	0.4
165.09129	0.5
167.07024	0.8
175.03957	0.6
175.07553	0.4
175.11163	0.6
176.04700	22.7
177.05486	29.8
177.08987	1.2
177.12743	0.9
178.05943	2.4
178.08615	0.6
179.05405	1.9
179.09059	0.3
179.10699	0.7
181.12259	0.5
182.08162	1.7
187.03923	1.1
187.11169	1.4
195.02480	0.6
205.04976	100.0
205.12302	1.7
206.05313	1.6
209.01208	0.7
223.02289	1.4
223.06023	17.6
223.07974	6.8
223.09677	1.2
223.13139	4.0
223.16928	1.2
225.04311	5.7
227.02205	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0601
Annotation	6-(2-Methoxyvinyl)benzo[1,3]dioxole-5-carboxylic acid
Peak:m/z	Relative Intensity
50.82558	0.9
53.03944	2.2
55.01873	14.5
55.05510	1.9
57.03437	1.0
57.07099	0.7
57.57270	0.9
60.16281	0.8
67.05499	2.2
68.99794	2.6
69.07077	1.9
70.39078	2.5
71.05006	1.0
73.41186	0.8
77.03946	1.2
79.05496	6.1
81.07050	4.4
83.08631	1.6
85.06552	1.3
91.05501	6.0
93.07049	11.7
95.04977	2.2
95.08596	5.4
98.21437	0.9
102.72518	0.8
103.05476	5.8
105.07047	2.5
107.04953	5.6
107.08595	5.1
109.10150	3.5
119.08643	1.0
120.08115	0.9
121.06508	36.3
121.07387	1.8
121.10157	2.4
123.11684	2.0
131.04918	6.6
135.04446	4.7
135.08064	1.2
137.05931	0.8
149.05986	69.9
149.13248	1.1
153.05489	0.9
163.03909	33.3
163.05258	1.7
177.05475	100.0
178.05894	2.5
205.04968	61.0
205.12244	1.5
205.19365	1.1
206.05226	1.6
223.05975	16.9
223.07837	1.9
223.13184	1.6
223.16893	1.6
225.04208	1.1
239.39160	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0603
Annotation	2-Hydroxy-4-hydroxymethylbenzalpyruvate
Peak:m/z	Relative Intensity
53.03944	0.8
53.36827	0.4
55.01863	1.4
55.05519	4.3
56.96548	0.6
57.05816	0.5
60.05651	0.5
65.03946	0.6
66.19530	0.4
67.05502	1.7
68.99783	0.8
69.03419	1.5
69.07062	1.0
70.06598	3.8
71.04973	0.5
71.48699	0.5
72.08159	18.2
73.02892	0.4
73.08496	0.5
79.05502	3.8
81.03423	1.4
81.07042	2.1
83.04985	1.7
83.08630	0.6
84.04494	2.0
84.08152	4.0
85.02905	1.5
85.06528	0.4
86.09720	3.1
91.05477	7.5
93.07061	4.7
94.06551	1.5
95.04968	1.9
95.08606	0.5
97.02894	0.7
97.06536	0.8
98.97563	1.2
103.05476	6.7
104.05799	0.9
105.04514	0.5
105.07047	4.7
107.04957	2.5
107.08580	1.9
108.08126	1.2
109.06481	1.2
109.10178	0.6
110.07148	0.7
111.04440	0.7
111.08072	1.2
115.05479	1.0
117.06998	1.3
118.06542	5.0
119.04912	2.1
119.08570	1.4
120.08114	21.3
121.02888	0.9
121.06521	10.3
121.10168	2.0
123.04453	2.4
123.08060	1.3
125.05988	0.5
125.09589	0.7
129.10245	1.5
130.05013	0.7
130.08638	0.6
131.04936	11.6
131.08598	1.1
132.05296	0.9
133.06509	3.6
133.10167	0.6
135.04430	1.4
135.08086	1.2
135.11697	0.7
136.07588	7.7
137.05980	0.8
137.09589	0.7
139.03937	0.8
139.07497	0.9
143.04958	0.7
145.06477	1.3
145.10118	0.6
147.04416	3.5
147.08072	0.7
148.05208	5.1
149.01323	0.6
149.02382	5.4
149.05994	12.3
149.09607	2.5
151.03973	2.3
151.05861	0.5
159.04402	2.3
159.08067	0.8
159.11682	1.2
161.06015	1.8
162.03131	0.7
163.03885	3.0
163.11200	1.3
164.07068	1.7
165.05455	2.5
165.06764	0.5
167.07149	0.6
175.03889	0.6
175.11139	0.7
176.04704	20.9
177.02054	1.0
177.05486	30.2
177.08907	0.9
177.12708	1.1
178.05838	1.9
178.08662	0.7
179.05362	2.1
182.08142	2.1
187.03920	1.2
187.11247	1.2
188.89449	0.5
190.02721	0.5
205.04979	100.0
206.05313	2.1
206.08066	0.5
208.03653	0.7
209.01326	0.5
223.02194	1.7
223.06015	15.9
223.07918	6.9
223.09702	2.2
223.13144	3.6
223.16859	0.9
224.09250	0.6
225.04300	6.5
227.02193	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1902
Annotation	Helianthol A
Peak:m/z	Relative Intensity
50.98582	1.6
51.25236	1.6
53.00296	2.3
53.03934	3.5
55.01853	2.1
55.05521	17.2
57.07066	7.3
59.04999	2.8
65.03947	1.7
67.05515	19.6
68.73206	1.5
68.99804	2.0
69.03415	5.7
69.07064	16.5
70.38918	2.5
70.39271	4.9
71.05000	23.5
77.03931	2.0
79.05084	1.8
79.05498	28.4
81.07065	92.7
83.04976	4.9
83.08624	8.3
85.06546	3.2
91.05483	32.5
93.06486	3.5
93.07050	52.9
95.04984	9.2
95.08614	52.2
97.06516	4.8
97.10159	3.1
98.97575	1.7
99.08080	4.6
103.05459	9.2
105.03351	1.9
105.07035	43.7
107.04946	4.5
107.07882	3.6
107.08604	72.3
108.44571	1.9
109.05282	1.8
109.06511	7.9
109.10164	34.0
111.08094	7.0
111.11727	2.0
113.09666	2.0
115.64713	1.7
117.07028	5.2
119.04932	7.8
119.08591	59.8
119.20152	1.7
121.06511	5.4
121.10159	21.0
122.45284	1.7
123.04464	2.2
123.08089	9.6
123.11721	19.4
125.09637	4.8
127.11180	2.2
129.07016	2.0
131.04916	5.4
131.08539	2.2
133.06519	5.8
133.10141	43.8
135.08038	3.7
135.11705	100.0
137.05905	1.8
137.09660	10.0
137.13272	2.8
139.04517	1.7
139.07619	1.9
139.11050	2.1
143.08597	3.2
145.10114	5.6
146.07263	1.9
147.04427	18.6
147.08064	7.6
147.11703	38.8
149.05957	4.3
149.09630	3.5
149.13249	11.3
150.05602	2.2
151.11211	6.6
157.43892	1.7
159.11700	4.0
160.05237	2.2
161.05984	5.0
161.09656	6.0
161.13269	24.4
163.11124	4.1
163.14841	6.1
165.09143	6.6
165.12784	3.7
170.10919	2.2
175.03967	20.5
175.07506	5.7
175.11186	4.5
175.14893	10.2
177.05489	2.6
177.09106	5.4
177.16435	4.2
179.03468	4.8
179.08788	1.9
179.10654	1.8
185.13242	3.6
193.08496	2.4
193.15881	5.4
203.03430	21.8
203.07002	3.3
203.10681	4.4
203.14316	7.6
203.17972	42.4
206.16304	4.0
221.04416	12.0
221.07857	3.8
221.09793	3.9
221.11720	6.3
221.15454	27.4
221.19009	67.3
222.07648	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
50.30399	1.6
51.18391	1.5
52.26432	2.2
52.60780	1.4
53.03921	1.7
55.05516	8.1
57.07065	5.4
62.92949	1.5
67.05508	19.4
67.15601	1.6
69.07075	17.9
70.43494	1.3
70.92778	2.3
70.93102	2.6
71.04983	7.0
79.05489	10.5
81.07055	35.3
83.08616	7.8
85.06536	1.5
91.05478	14.3
93.06578	1.7
93.07054	23.4
95.04928	2.5
95.08609	67.0
97.06517	3.2
105.07037	49.8
107.08598	45.9
109.06477	2.9
109.09404	2.6
109.10159	43.5
111.08084	4.4
119.08585	98.8
120.99589	1.5
121.10151	22.6
123.08081	2.2
123.11735	14.9
125.09610	2.8
131.08498	1.8
133.10139	38.4
135.11708	9.0
137.09575	2.6
137.13246	3.6
145.10103	2.2
147.11697	57.3
149.13274	7.6
151.11154	3.0
159.11737	1.6
161.13269	28.9
163.14828	16.0
165.07729	1.5
165.12782	2.8
175.14824	30.4
177.16338	2.5
179.08615	1.8
203.17969	100.0
206.11028	1.8
206.16226	2.0
221.13174	2.2
221.15466	3.3
221.19028	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.05519	11.9
57.07075	11.7
59.04990	4.4
67.05505	27.6
69.03419	3.4
69.07067	19.9
69.34294	3.1
69.34696	9.4
71.04991	4.6
72.11794	1.6
79.05483	10.7
81.07059	58.0
83.04980	4.2
83.08624	7.4
84.80164	1.3
85.06548	3.1
91.05489	17.0
93.07049	29.8
95.04967	3.3
95.08612	70.2
95.46762	1.5
97.06534	7.5
97.10143	2.6
105.06327	2.0
105.07031	45.9
107.08594	50.8
109.06512	6.1
109.10159	55.2
111.08071	13.7
111.11716	3.5
119.08580	46.3
121.06557	3.3
121.10148	30.2
123.08053	8.2
123.11713	21.5
125.09590	4.0
131.08635	2.1
133.09138	2.6
133.10127	34.3
135.11678	11.0
137.09633	6.1
137.13243	7.5
147.04442	1.8
147.08037	4.6
147.11690	51.0
147.12820	3.1
149.13301	9.7
151.11143	4.1
153.09085	2.0
159.11787	1.7
161.09573	2.1
161.13258	29.8
163.11188	1.6
163.14813	13.6
165.09134	8.6
165.12701	11.3
175.14841	13.5
177.16452	2.4
203.17960	100.0
206.10947	2.2
206.16219	2.9
221.04367	3.5
221.07465	1.7
221.13235	5.3
221.15701	9.9
221.19011	86.7
222.07578	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	221.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67843	1.6
53.03948	5.5
55.01857	7.9
55.05281	2.1
55.05517	34.7
56.43750	1.6
57.07068	8.4
59.05009	2.0
65.03941	3.9
67.05512	30.4
69.03091	2.9
69.03436	43.1
69.07078	23.2
69.94688	7.9
70.06591	1.9
71.04999	9.1
71.62514	1.8
79.05074	3.2
79.05502	42.1
81.07065	72.8
83.04984	23.1
83.08627	10.7
85.06542	6.8
91.05478	33.9
92.47681	1.9
93.07053	35.6
94.07463	2.0
95.04957	12.2
95.08615	41.4
97.06524	15.5
97.10149	3.5
99.04479	2.1
103.05460	6.0
105.07045	49.9
107.04945	9.3
107.08600	32.5
109.06528	27.4
109.10171	34.3
110.07292	2.1
111.04426	2.5
111.08101	22.1
115.05443	6.3
117.07036	13.0
118.06566	4.0
119.04932	3.1
119.06857	4.6
119.08589	56.0
121.06506	10.9
121.10155	40.6
122.07326	2.3
123.08078	30.4
123.11700	8.4
125.09646	4.9
128.06241	12.6
129.06975	7.9
131.04929	6.1
131.08591	8.9
133.06474	8.2
133.10135	31.1
135.08061	11.8
135.11696	11.1
137.05988	34.4
137.09633	23.4
138.10384	3.9
139.11195	3.3
143.04907	5.3
143.08566	13.8
144.05724	2.5
145.06493	9.0
145.10129	11.0
147.04388	7.4
147.08075	14.2
147.09940	2.6
147.11697	21.4
149.05933	2.9
149.09595	7.0
149.13223	2.9
151.07576	14.4
151.11186	3.4
151.14818	3.4
153.09097	2.1
157.06497	2.1
157.10182	4.6
159.07990	3.7
159.11713	7.5
160.05220	4.5
161.05992	14.8
161.09668	10.0
161.13268	39.9
162.06737	4.1
163.09529	5.1
163.11182	16.4
163.14833	2.9
165.07014	4.1
165.09102	7.4
170.10930	2.3
171.08055	6.8
174.06700	4.1
175.03938	4.5
175.07529	24.7
175.08862	4.0
175.11168	5.2
175.14874	17.6
176.07298	4.3
176.14377	3.9
177.05551	1.9
177.09113	28.7
177.11099	4.3
177.12910	3.6
177.14684	27.0
177.16263	4.0
178.05011	3.1
178.12022	2.2
179.03400	3.7
179.10759	2.2
179.14310	3.7
185.13264	8.2
188.08456	2.8
189.05486	2.3
191.09761	2.6
191.12589	4.5
192.15152	2.4
193.08604	3.2
193.15869	11.7
196.30602	1.8
203.03436	10.4
203.06947	2.7
203.10713	30.4
203.14308	19.4
203.17967	8.4
206.16208	5.3
221.04384	9.5
221.08022	4.5
221.11986	13.5
221.15349	77.5
221.17328	100.0
221.18872	5.8
222.07628	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	221.1539
Annotation	Oblongolide
Peak:m/z	Relative Intensity
52.67843	1.6
53.03948	5.5
55.01857	7.9
55.05281	2.1
55.05517	34.7
56.43750	1.6
57.07068	8.4
59.05009	2.0
65.03941	3.9
67.05512	30.4
69.03091	2.9
69.03436	43.1
69.07078	23.2
69.94688	7.9
70.06591	1.9
71.04999	9.1
71.62514	1.8
79.05074	3.2
79.05502	42.1
81.07065	72.8
83.04984	23.1
83.08627	10.7
85.06542	6.8
91.05478	33.9
92.47681	1.9
93.07053	35.6
94.07463	2.0
95.04957	12.2
95.08615	41.4
97.06524	15.5
97.10149	3.5
99.04479	2.1
103.05460	6.0
105.07045	49.9
107.04945	9.3
107.08600	32.5
109.06528	27.4
109.10171	34.3
110.07292	2.1
111.04426	2.5
111.08101	22.1
115.05443	6.3
117.07036	13.0
118.06566	4.0
119.04932	3.1
119.06857	4.6
119.08589	56.0
121.06506	10.9
121.10155	40.6
122.07326	2.3
123.08078	30.4
123.11700	8.4
125.09646	4.9
128.06241	12.6
129.06975	7.9
131.04929	6.1
131.08591	8.9
133.06474	8.2
133.10135	31.1
135.08061	11.8
135.11696	11.1
137.05988	34.4
137.09633	23.4
138.10384	3.9
139.11195	3.3
143.04907	5.3
143.08566	13.8
144.05724	2.5
145.06493	9.0
145.10129	11.0
147.04388	7.4
147.08075	14.2
147.09940	2.6
147.11697	21.4
149.05933	2.9
149.09595	7.0
149.13223	2.9
151.07576	14.4
151.11186	3.4
151.14818	3.4
153.09097	2.1
157.06497	2.1
157.10182	4.6
159.07990	3.7
159.11713	7.5
160.05220	4.5
161.05992	14.8
161.09668	10.0
161.13268	39.9
162.06737	4.1
163.09529	5.1
163.11182	16.4
163.14833	2.9
165.07014	4.1
165.09102	7.4
170.10930	2.3
171.08055	6.8
174.06700	4.1
175.03938	4.5
175.07529	24.7
175.08862	4.0
175.11168	5.2
175.14874	17.6
176.07298	4.3
176.14377	3.9
177.05551	1.9
177.09113	28.7
177.11099	4.3
177.12910	3.6
177.14684	27.0
177.16263	4.0
178.05011	3.1
178.12022	2.2
179.03400	3.7
179.10759	2.2
179.14310	3.7
185.13264	8.2
188.08456	2.8
189.05486	2.3
191.09761	2.6
191.12589	4.5
192.15152	2.4
193.08604	3.2
193.15869	11.7
196.30602	1.8
203.03436	10.4
203.06947	2.7
203.10713	30.4
203.14308	19.4
203.17967	8.4
206.16208	5.3
221.04384	9.5
221.08022	4.5
221.11986	13.5
221.15349	77.5
221.17328	100.0
221.18872	5.8
222.07628	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	221.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.3
55.01877	0.4
55.05511	1.2
56.96563	0.2
57.07067	0.5
58.42013	0.2
59.00144	0.2
63.08940	0.2
65.03917	0.3
67.05508	1.7
67.08061	0.2
68.99791	0.4
69.03413	0.5
69.07079	1.3
69.17381	1.9
71.04978	0.7
73.04774	0.2
77.70299	0.2
79.05495	2.0
81.03435	0.3
81.07066	3.0
83.04969	0.6
83.08617	0.4
85.06545	0.5
91.04909	0.3
91.05483	6.4
93.07053	2.8
95.04974	1.3
95.08617	3.0
97.06525	0.7
97.10149	0.3
98.76422	0.2
99.04489	0.2
102.04645	0.2
103.05476	4.1
105.07040	4.4
107.04948	0.7
107.08598	2.7
109.06538	1.0
109.10174	1.9
111.08067	1.0
115.05464	1.2
116.06211	0.7
117.07027	5.7
118.06523	0.2
119.04956	1.8
119.06894	0.4
119.08590	4.1
121.06492	1.3
121.10157	2.7
123.04412	0.3
123.08093	0.9
123.11708	0.7
125.09585	0.4
128.06277	1.1
129.07039	0.3
130.06555	0.2
131.04942	0.9
131.08578	0.7
132.05727	0.3
133.06490	1.4
133.10149	2.6
134.07321	1.1
135.08076	1.7
135.11699	1.4
137.05984	0.6
137.09618	0.8
137.13306	0.3
143.08563	1.6
144.05692	0.6
145.06512	1.1
145.10126	1.1
146.63438	0.2
147.04417	4.2
147.08055	0.8
147.11700	2.2
149.06017	0.4
149.09613	0.8
149.13249	0.3
151.03960	0.4
151.11172	0.5
153.09090	0.2
155.06018	0.2
157.10136	0.5
158.06050	0.3
159.04402	0.3
159.11716	0.6
160.05231	0.4
161.05969	1.9
161.09653	0.8
161.13271	2.4
162.06770	5.5
163.03896	0.3
163.09492	0.6
163.11189	1.2
163.14926	0.3
165.09123	0.6
165.12796	0.3
171.08066	0.7
175.03940	5.6
175.07549	3.3
175.08955	0.2
175.11200	0.7
175.14818	1.3
176.14409	0.3
177.09117	100.0
177.14615	1.6
178.07993	0.3
178.09456	1.5
179.03368	0.9
179.10648	0.2
185.13258	0.5
189.05496	0.3
191.12654	0.3
193.04976	0.2
193.08640	0.5
193.15988	0.4
196.18706	0.2
198.24461	0.2
203.03403	4.8
203.06970	0.4
203.10715	0.6
203.14316	1.5
203.17986	0.8
206.16280	0.6
220.83420	0.2
221.04387	1.4
221.06355	0.2
221.08051	0.6
221.09851	0.4
221.11659	1.2
221.15363	2.9
221.17326	10.3
221.18858	0.8
222.07603	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0921
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
51.13082	0.6
67.05510	0.7
69.07056	0.8
69.38617	0.5
69.72369	2.4
77.03964	0.6
79.05484	0.8
82.02940	1.3
83.08602	0.7
91.05461	1.7
94.06573	5.1
103.05456	1.1
104.04949	0.8
109.10141	0.7
111.08066	0.9
115.05473	1.2
119.04978	0.9
120.08120	0.9
121.06487	0.7
129.06961	0.8
130.06532	53.9
131.04971	1.3
131.06903	0.7
132.04459	39.3
133.10132	0.7
146.06046	0.8
147.04396	1.8
147.06316	0.7
147.09235	0.8
148.07573	1.2
152.58455	0.6
153.09161	0.7
157.06595	0.6
157.07622	23.8
158.06018	73.9
159.06459	0.7
161.05884	0.6
175.03938	2.0
175.08678	100.0
176.07082	2.2
176.09062	1.1
177.05527	1.0
186.05530	2.5
193.15881	1.0
200.42818	0.6
203.03493	0.9
203.08258	1.1
204.06561	4.8
221.04599	1.3
221.09242	19.8
221.15175	0.7
221.18269	0.6
222.07635	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	221.0923
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
51.02403	0.6
52.50216	0.6
55.05497	0.8
56.96562	2.2
58.15214	0.5
69.03431	1.0
69.76315	0.5
70.06593	1.0
71.01911	1.2
73.02925	1.0
74.02460	0.6
79.05485	0.6
81.03368	0.7
82.02953	2.6
85.02940	0.7
85.58381	0.5
90.05555	0.9
91.05479	1.3
94.06570	3.7
97.02888	0.7
98.97580	4.4
101.00890	0.7
103.05452	0.7
104.05000	0.7
110.07206	0.8
110.97524	0.6
111.08037	0.7
115.05442	1.0
116.69445	0.5
116.98672	0.8
119.01875	1.0
119.04896	1.0
120.08123	0.8
127.77532	0.5
128.02303	0.6
130.06532	67.7
131.06874	0.9
132.04459	42.8
136.07590	0.8
137.05923	0.6
140.02359	0.6
147.04443	0.6
147.09200	0.8
148.07547	3.3
149.01215	0.6
155.04657	2.0
157.07623	35.4
158.06021	77.7
159.06374	1.0
174.51282	0.6
175.08679	100.0
176.07085	1.6
176.09003	1.4
185.06947	1.0
186.05542	2.4
203.01892	1.0
203.08176	10.3
204.06566	4.4
207.79933	0.6
221.02950	7.0
221.04813	1.9
221.09221	23.1
239.03984	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0447
Annotation	Buntansin
Peak:m/z	Relative Intensity
51.02368	0.7
52.06260	0.6
53.03949	3.0
55.01882	1.0
55.05512	3.5
56.75805	0.6
56.96558	0.7
57.07061	1.1
64.44283	0.5
65.03943	2.2
67.05507	4.5
68.99793	3.9
69.03419	1.9
69.07084	3.2
70.06590	0.7
70.56810	0.6
70.57146	1.0
70.66232	0.5
71.04990	1.9
71.55740	0.6
76.08560	0.6
77.03911	1.4
79.05486	5.5
79.40775	0.6
80.55049	0.7
81.03392	0.9
81.07059	8.0
83.04963	1.7
83.08604	1.6
85.06555	0.7
91.05484	63.7
92.05786	0.6
92.59551	0.6
93.07051	8.6
95.04975	5.2
95.08611	7.8
97.06532	1.1
102.04695	0.7
103.05473	63.4
105.03387	0.7
105.04519	1.3
105.07031	12.4
107.04946	3.5
107.08619	6.0
109.02882	2.0
109.06521	2.3
109.10183	4.6
111.08080	1.7
115.05457	0.7
117.07024	2.5
119.04115	1.4
119.04950	24.1
119.06822	1.0
119.08582	13.1
121.06515	2.7
121.10155	6.9
123.04449	2.6
123.08075	2.3
123.11715	1.5
127.03928	0.6
128.06253	0.9
129.06992	1.5
131.04921	7.8
131.08556	0.9
133.02831	1.2
133.06454	2.4
133.10150	7.2
135.04398	1.1
135.08032	3.7
135.11688	3.3
137.05940	0.9
137.09619	1.5
143.08551	2.0
145.10164	2.0
147.04413	69.3
147.08070	2.3
147.11685	4.8
148.04770	1.0
149.05959	2.9
149.13170	0.8
151.03912	5.7
151.11165	1.1
157.10106	1.0
159.04387	2.7
159.11700	2.5
161.06026	2.8
161.09613	3.5
161.13271	13.2
162.06752	1.4
163.03903	2.5
163.07552	0.7
163.09450	0.9
163.11172	2.0
163.14784	0.5
165.07004	0.9
165.09100	1.3
165.12766	0.6
175.03915	100.0
175.07501	2.9
175.11156	2.0
175.14825	3.7
176.04276	1.4
176.14400	0.8
177.05559	2.9
177.09116	19.1
177.10686	1.0
177.14696	3.1
177.16133	0.7
178.04955	0.6
179.03406	16.2
185.13286	2.6
190.46846	0.7
193.04993	2.3
193.15901	0.9
203.03404	77.2
203.14330	4.4
203.17976	1.7
204.03622	0.8
206.16154	1.2
212.18961	0.6
220.17067	0.7
221.04422	14.0
221.07846	1.4
221.09846	1.0
221.11743	2.1
221.15353	11.5
221.17326	14.1
221.19019	2.0
222.07642	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0446
Annotation	Buntansin
Peak:m/z	Relative Intensity
53.03930	1.8
55.01876	1.5
55.05500	2.2
57.07060	0.9
65.03934	1.9
67.05497	3.6
68.99807	0.7
69.07053	2.2
69.22466	2.7
69.22884	4.5
71.05005	0.8
75.02357	0.8
77.03952	1.1
79.05491	3.0
81.07052	7.2
83.08617	1.3
85.49402	0.8
91.05482	33.4
93.07049	4.7
95.04964	1.8
95.08607	7.7
103.05463	7.2
105.03349	1.3
105.07047	6.9
107.08594	4.5
109.06506	1.0
109.10167	3.3
111.08125	0.9
119.04948	18.6
119.08576	5.8
121.06499	2.1
121.10145	3.0
123.04444	5.5
123.11702	2.2
131.04933	24.5
133.02866	1.1
133.10121	4.2
135.07965	0.9
135.11685	1.6
143.08582	0.8
145.10153	0.8
147.04417	67.5
147.11667	5.2
148.04753	0.9
149.05981	3.7
159.04422	20.2
161.09654	1.1
161.13243	2.9
163.11243	0.8
163.14775	0.8
175.03917	32.0
175.11197	1.1
175.14922	1.0
175.25140	0.7
177.01773	1.6
177.05463	5.5
179.03401	52.3
203.03401	100.0
203.14268	0.8
203.18001	3.8
204.03680	1.8
206.16216	1.0
221.04408	2.9
221.11636	1.3
221.15355	2.2
221.19067	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	221.0447
Annotation	Buntansin
Peak:m/z	Relative Intensity
50.46248	0.3
51.02391	0.4
53.03949	0.7
55.01872	2.3
55.05526	0.7
56.05037	0.4
56.96566	0.4
57.03447	1.2
57.07080	0.8
63.66866	0.3
65.03933	1.8
67.01856	0.4
67.05508	1.2
68.99795	2.8
69.03434	1.3
69.07090	0.7
69.19250	1.2
69.19682	1.5
70.06596	0.9
74.06070	0.3
77.03948	0.4
79.05497	2.9
81.03423	3.0
81.07060	1.4
83.01350	2.2
83.04990	0.5
83.08607	0.6
84.08152	0.7
85.02905	5.0
87.23741	0.3
91.05485	31.9
92.05825	0.4
93.03383	0.3
93.07064	1.5
95.01315	3.1
95.04964	2.6
95.08605	0.6
97.02902	0.5
103.05479	3.9
105.03403	2.3
105.07021	1.5
106.78086	0.3
107.04960	3.2
107.08591	0.8
109.02871	2.5
109.06501	0.9
109.10184	1.1
110.07214	0.4
111.00796	1.0
111.04491	0.5
111.08096	1.7
115.05518	0.5
117.07034	0.3
118.04176	0.4
119.04948	22.5
119.08590	1.1
120.08121	1.4
121.02863	1.1
121.06529	2.1
121.10065	0.6
123.04434	2.2
123.08071	0.6
127.03889	0.4
128.26662	0.3
129.07022	0.3
130.06561	2.2
131.04932	3.0
132.04482	1.8
132.05772	0.3
133.02875	1.6
133.06500	0.8
133.10138	1.1
135.04419	3.2
135.11693	0.7
137.02350	4.1
137.05998	1.5
137.09601	1.0
146.03751	0.4
147.04417	42.2
147.08038	0.8
148.05225	0.3
148.08748	0.8
149.02353	0.7
149.05995	1.6
150.03122	0.6
150.05452	0.4
151.03929	1.9
151.11188	0.3
153.05421	0.4
153.09073	0.5
157.06476	0.5
157.07643	0.9
158.06010	3.4
159.04459	1.1
160.05215	0.5
161.02397	0.9
161.05984	4.1
161.09569	0.4
163.03922	0.8
164.04706	0.5
165.05469	1.7
165.09113	0.7
174.06679	0.4
175.03917	57.7
175.07379	1.1
175.08791	4.0
175.14847	0.8
176.04292	0.7
176.07022	0.4
177.05432	1.4
177.09096	0.6
178.02644	0.4
178.05016	1.0
178.09775	2.4
179.03404	7.7
179.10704	0.4
191.03426	1.1
192.04163	5.4
193.04988	1.5
193.15901	0.6
203.03409	15.5
203.07051	0.9
203.14348	0.6
204.07848	3.2
205.15965	0.4
206.16260	1.2
221.04460	100.0
221.15123	1.4
221.18762	0.4
222.04776	1.3
222.07608	3.7
239.05550	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1698
Annotation	Fabianine
Peak:m/z	Relative Intensity
55.05528	0.2
57.07080	0.2
67.05490	0.2
69.45995	0.7
69.46424	0.6
77.19817	0.2
91.05518	0.2
95.08598	0.2
103.05459	0.2
106.06583	0.4
106.07372	0.2
117.07072	0.3
118.06545	9.9
119.07339	0.4
119.08626	0.2
120.08120	0.5
131.08585	0.2
132.08102	3.2
133.08876	1.5
134.09637	0.9
144.08105	0.3
145.10144	0.2
146.09628	2.6
147.10417	0.4
148.11226	0.2
160.11235	0.6
161.11908	0.2
162.07832	0.3
162.09148	6.0
163.09903	0.2
174.12805	0.2
176.10770	4.4
176.14349	28.8
177.11507	1.1
177.14699	0.5
190.12259	3.3
202.15834	0.9
204.13800	0.3
205.15913	0.8
220.16962	100.0
221.17313	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06864	0.7
55.01877	1.3
55.05502	1.8
56.96569	1.8
57.06883	0.6
57.07082	7.7
59.05008	5.4
60.04535	1.0
66.46327	0.7
67.05511	5.2
69.03438	1.7
69.07071	5.2
69.97833	1.4
69.98199	3.6
70.02962	8.8
70.06593	2.7
72.04519	18.7
72.08159	3.3
72.93790	0.9
73.02927	4.2
73.06569	1.0
74.02444	5.2
76.02241	1.0
76.38529	0.7
79.05485	1.0
81.05769	0.8
81.07070	1.8
83.05005	1.7
84.08122	1.3
85.02898	1.0
85.06546	13.2
85.29372	0.8
86.06066	2.1
86.09715	2.4
87.04474	5.0
87.08084	1.3
90.05556	100.0
90.94826	1.1
91.05469	0.8
95.04969	9.1
96.08141	2.1
98.02417	18.4
98.06048	8.3
98.97595	2.6
99.08103	5.8
100.03970	1.7
101.09669	1.6
103.07587	8.9
107.04931	1.1
112.11203	1.0
113.06011	3.3
116.03461	11.9
120.85860	0.7
122.01915	1.3
122.02724	6.6
124.07591	17.9
128.10751	0.9
130.06551	1.0
130.08652	0.9
131.07045	1.2
140.10698	5.0
142.08629	8.4
147.04356	0.8
155.04677	2.7
156.10182	2.8
158.06013	1.1
158.11780	28.1
160.09720	1.8
164.03438	1.8
166.07376	0.7
166.08643	2.5
170.20186	0.8
174.05635	0.8
174.07622	0.8
174.08994	1.0
174.11240	3.7
175.03920	1.1
175.08617	1.9
177.12720	1.2
184.09702	19.7
191.73918	0.8
192.02838	1.3
202.08842	1.5
202.10753	30.5
202.14362	2.2
204.14636	0.9
205.03380	0.8
205.15889	7.7
220.02383	1.6
220.05891	1.1
220.09702	2.1
220.11803	30.2
220.15485	1.7
220.17719	5.0
221.04561	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.0
56.01398	0.7
57.07082	6.7
59.05009	5.3
67.05507	5.4
69.07081	5.1
70.02961	7.5
70.61047	1.7
72.04521	14.6
72.08144	1.0
73.02921	3.6
74.02454	1.6
77.15260	0.6
81.07089	1.1
83.04992	1.6
85.06550	11.2
86.09709	1.9
87.04409	0.8
87.08131	1.5
90.05560	100.0
95.04985	8.2
96.08137	2.3
96.37377	0.6
98.02429	18.8
99.08114	1.2
100.03983	3.0
103.03935	0.8
103.07600	7.2
112.07631	1.4
113.05989	3.4
116.03459	13.9
120.32263	0.7
124.07592	16.5
130.08691	0.8
131.07059	1.3
142.08658	8.0
156.10233	0.9
158.11772	2.8
160.03242	0.9
160.09689	2.0
166.08650	2.0
174.11267	2.7
176.81413	0.7
184.08167	1.4
184.09717	18.3
202.10759	27.2
205.15961	1.9
220.09703	1.6
220.11809	24.7
220.15190	0.9
220.17824	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1181
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
55.01867	1.7
55.05490	1.4
57.07074	7.0
57.43548	0.7
58.99580	1.2
59.05005	5.2
61.02918	0.9
67.05508	6.7
69.07084	5.1
70.02950	7.2
70.06602	1.6
71.01367	1.0
71.04739	1.2
71.80197	0.7
72.04522	17.6
72.08150	1.7
73.02924	3.9
74.02438	2.6
75.97995	0.7
76.02213	1.7
81.07040	1.5
83.05007	1.8
84.08127	1.0
85.06544	11.2
86.09713	1.7
87.04465	1.8
87.08079	2.0
88.66391	0.7
90.05560	100.0
91.05476	1.1
95.04977	6.6
96.08124	1.6
98.01836	1.2
98.02420	17.0
98.06046	2.6
98.97590	0.8
99.08089	5.8
100.02209	2.6
100.03969	1.8
103.07585	7.7
105.07045	0.8
113.06020	4.1
116.03458	15.2
118.03251	1.4
122.02727	4.6
124.07598	19.2
126.87608	0.8
131.06978	1.2
132.04489	0.9
140.10722	2.2
142.08618	7.6
146.02718	1.1
147.07951	0.8
156.10185	1.7
158.11768	8.5
160.03224	1.0
160.09683	1.9
161.05774	0.7
166.08650	2.5
174.11281	2.1
184.09682	20.4
202.10747	27.8
205.15941	4.1
220.09949	1.8
220.11829	27.2
220.15279	1.7
220.17867	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	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
55.05503	5.8
57.03429	1.8
59.45887	1.8
67.05231	1.5
67.05506	16.9
69.07061	4.6
69.96753	7.6
71.04983	7.2
79.05148	1.7
79.05508	17.8
81.07056	39.2
82.39077	1.9
83.05006	2.8
83.08596	1.9
91.05486	22.3
93.07050	46.8
93.07636	2.9
95.04961	3.2
95.08613	41.9
97.06511	3.6
105.07037	65.3
107.08599	46.0
108.62062	1.7
109.06509	2.8
109.10165	17.8
111.08064	4.9
117.07030	14.8
119.08592	34.7
121.10141	18.8
123.11698	4.3
129.07051	3.7
130.07762	4.1
131.08575	41.9
133.10141	20.6
135.08084	2.2
135.11687	15.0
143.08583	2.0
144.09315	4.2
145.10135	73.2
147.07968	1.9
147.11700	10.6
149.09613	6.3
149.13246	6.5
159.11703	42.4
161.13274	14.8
163.11174	6.7
173.13272	17.9
175.14818	6.5
177.12695	5.8
180.24385	1.6
189.09142	2.0
189.16394	3.5
191.17949	4.0
201.16393	100.0
202.16710	2.2
203.14322	3.1
204.03181	2.3
216.03542	2.6
219.17442	83.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1016
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.05508	1.6
55.64405	1.0
57.03426	1.3
61.67305	1.0
67.05500	2.0
69.07067	1.4
70.61172	1.8
70.61568	2.2
79.05467	3.3
79.78996	1.0
79.79794	1.0
80.06308	1.0
81.07045	2.9
86.09686	1.1
89.81657	0.9
91.05481	15.5
93.07050	3.4
95.08624	2.4
103.05453	3.9
105.07038	6.6
107.08605	2.5
107.75554	0.9
109.10146	1.7
115.05452	11.6
116.06243	4.6
117.07034	5.8
119.08593	6.5
121.06492	1.2
121.10135	3.3
128.06198	10.9
129.07018	44.7
130.07729	3.1
131.04950	10.6
131.08577	44.1
131.09386	0.7
133.10153	5.1
135.08073	1.4
137.05974	4.5
141.06998	36.4
143.04907	3.2
143.08583	4.5
144.05746	6.7
145.06514	8.2
145.10126	3.1
146.07286	6.4
147.04367	1.3
147.11728	1.8
148.05179	1.1
151.03886	2.7
157.06487	23.2
157.10129	1.3
158.07291	22.1
159.04408	4.6
159.08067	29.2
159.11671	4.7
160.05182	5.6
161.05994	1.1
161.09633	6.4
161.13287	3.1
163.07495	2.8
168.05716	1.2
169.06488	15.7
169.07748	1.2
170.07216	5.0
171.04463	1.5
173.05968	5.9
174.06784	81.0
175.07565	14.0
175.14780	2.0
176.04880	1.4
177.05490	1.2
177.09142	1.0
185.05984	1.4
186.06770	18.6
187.07509	2.1
188.08298	3.0
189.09119	100.0
190.09499	2.2
191.07045	2.0
191.09029	1.9
191.10588	7.1
201.09114	39.8
201.16307	4.8
203.14268	5.8
204.03194	1.8
219.05734	3.1
219.10170	97.9
219.13760	3.1
219.17418	25.3
220.10617	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.05
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	6.7
60.04528	2.6
61.02932	26.1
69.07078	1.7
70.72778	3.3
71.01360	41.0
72.49422	1.2
75.04484	64.9
83.04986	1.5
84.99270	1.9
85.02905	1.5
86.09705	2.0
87.04477	23.8
89.02386	11.2
90.05592	2.7
98.97594	1.6
101.06008	1.5
103.03946	73.4
107.08588	1.3
115.05414	1.2
119.08611	1.9
121.10127	2.5
131.03416	16.0
133.10144	1.7
159.02901	100.0
161.02675	1.5
161.04478	2.0
173.05899	1.6
187.02388	11.5
190.05130	1.3
199.91249	1.3
203.14323	9.8
204.03174	3.2
219.04997	10.8
219.12006	3.1
219.17436	34.0
237.00766	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1017
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.01866	1.1
55.05495	3.9
57.03428	1.1
64.85886	0.8
67.05507	1.9
69.03439	1.3
69.07088	1.0
71.02290	1.8
71.04967	1.0
77.06327	1.0
79.05467	2.8
81.07039	4.3
83.08627	1.3
89.68712	1.0
91.05473	14.2
93.07044	4.4
95.08607	2.0
100.11277	1.4
103.05456	4.7
105.07041	7.7
107.04907	1.4
107.08585	3.8
109.10149	2.1
110.73212	1.0
111.08155	0.9
115.05458	12.8
116.06223	4.4
117.07014	4.2
118.06541	2.3
119.08553	4.3
121.06510	1.9
121.10153	3.4
123.08028	1.2
127.05341	1.0
128.06204	11.0
129.07013	45.1
130.07758	3.7
131.04922	9.3
131.08566	43.0
131.09393	0.6
132.08910	1.1
133.10141	5.4
135.08014	1.9
137.05957	4.4
141.06996	37.7
143.04929	2.1
143.08546	3.4
144.05708	5.4
145.06512	9.5
145.10120	6.4
146.07262	6.2
147.11684	1.7
148.05206	1.6
149.09569	1.0
151.03900	8.7
151.07509	1.1
155.06032	2.2
157.06487	21.6
157.07755	1.1
158.07283	25.1
159.04390	4.1
159.08058	29.4
159.11655	5.4
160.05228	6.2
161.06021	1.6
161.09583	3.8
161.13251	2.0
163.07498	3.4
164.08334	1.1
169.06471	17.1
169.07709	1.1
170.07283	9.3
171.04404	1.2
171.08014	2.6
173.06009	6.3
173.09579	1.6
173.13242	2.4
174.06766	82.9
175.07515	11.9
175.11154	1.0
176.10667	1.3
176.14394	6.0
177.09091	2.1
186.06764	20.5
187.07510	2.3
188.08327	4.2
189.09109	100.0
190.09482	2.0
190.12340	1.0
191.06953	2.3
191.10643	8.0
201.09102	45.2
201.10999	2.3
201.16417	3.5
202.09523	1.0
203.14346	5.4
204.03139	2.0
219.05611	3.0
219.10156	99.4
219.13737	4.7
219.17422	23.2
220.10434	2.7
220.16972	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	219.0268
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97888	25.6
69.66631	100.0
69.67056	82.2
71.65582	29.4
98.97541	53.7
110.31554	32.6
153.46034	31.7
176.27850	27.7
179.41136	31.3
181.13989	27.1
219.02733	43.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	5.3
56.59906	1.0
60.04513	1.6
61.02659	1.4
61.02934	21.8
70.00769	1.2
70.79470	3.0
71.00977	1.8
71.01358	38.8
72.08158	2.8
75.04486	53.2
86.09704	2.0
87.04471	17.9
89.02389	7.7
90.05563	1.3
93.07060	1.2
98.97568	1.2
101.06009	1.2
103.03948	64.7
117.07028	1.2
119.08607	1.9
131.03415	13.3
133.10152	2.2
146.46201	1.0
159.02901	100.0
187.02342	9.3
203.14308	6.5
204.03084	3.2
219.04965	9.6
219.10216	1.2
219.12086	6.9
219.13936	1.2
219.17461	22.6
237.00639	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.018
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28931	0.4
55.05497	0.5
56.96297	0.7
56.96567	10.1
58.27087	0.4
60.39164	0.4
61.02930	1.1
63.48423	0.4
69.03436	0.5
69.07072	0.7
69.78590	1.6
69.79010	0.9
70.98127	10.8
71.95270	0.9
72.08146	1.3
82.01411	0.4
83.65091	0.4
84.96050	0.6
85.02911	0.4
86.09711	3.6
88.99171	2.6
92.70975	0.4
97.02889	0.5
98.97590	100.0
100.02489	0.5
100.81145	0.4
101.00876	0.9
104.51788	0.5
110.97591	1.6
116.98627	22.6
119.01903	0.9
128.98616	4.0
131.00165	3.3
131.01955	0.6
133.03542	0.6
134.99641	2.0
140.02187	0.4
140.05162	0.4
141.58701	0.4
143.01881	0.8
146.99660	3.7
149.01256	1.5
158.99681	10.0
159.05098	0.4
159.94524	0.4
161.01392	0.5
161.02898	0.6
163.32625	0.4
165.00752	1.1
173.03052	0.4
173.06578	0.5
177.00728	27.4
189.00746	1.0
195.01775	8.0
196.08331	0.5
207.01772	1.4
214.09302	0.7
219.01872	2.6
219.07097	0.6
219.13455	1.1
219.17525	0.6
237.02916	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41252	0.2
55.01863	0.4
55.05509	1.7
57.07088	0.2
58.26540	0.2
61.15699	0.2
67.05498	0.9
69.07062	1.0
71.48162	0.2
79.05490	0.6
81.07060	1.1
83.04987	2.4
83.08631	0.3
84.02499	0.2
87.04481	0.3
89.02373	0.3
89.03917	0.4
89.06042	0.5
90.04668	0.5
91.05477	1.2
93.07034	0.8
95.08610	2.1
100.11259	0.2
101.06017	0.8
101.17329	0.2
105.07034	2.6
107.08593	1.4
109.10167	1.5
111.03724	0.3
111.04452	3.8
113.05998	0.4
115.05450	4.1
115.06187	0.3
117.07030	1.2
118.04165	1.9
119.08578	1.4
121.10177	1.3
123.11707	0.8
127.07547	0.4
129.05482	0.6
131.04927	2.3
133.06479	0.7
133.10126	0.7
134.07155	0.4
135.06673	0.5
135.07816	0.2
135.11690	0.2
143.04912	0.5
145.06506	0.4
146.03632	1.8
147.11685	1.3
149.08237	0.3
155.07033	4.0
158.03575	0.9
161.05991	2.0
161.13260	1.9
171.04335	0.2
171.05602	0.6
172.09691	0.3
173.05998	3.1
173.08113	2.2
174.03134	17.1
175.03532	0.4
175.09816	0.4
175.14853	0.3
176.09294	0.6
177.10144	0.6
178.02629	0.7
189.05423	0.7
199.09669	0.3
202.02618	82.5
203.02951	2.3
217.04967	100.0
217.10370	2.6
217.19495	4.2
218.05298	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	217.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28597	0.7
54.45410	0.5
55.05518	5.0
56.96568	6.5
57.03459	1.7
58.99878	1.5
59.05045	1.0
60.04548	1.3
62.85526	0.6
67.05501	0.7
69.03448	1.7
69.07065	0.7
70.06620	2.2
70.98128	5.3
70.99878	2.2
71.01867	1.3
72.08168	7.4
73.02925	3.2
76.34098	0.6
80.27959	0.6
82.99842	7.7
83.04990	6.6
83.08619	0.9
84.04530	1.4
84.08150	3.2
85.01418	12.6
85.01881	0.9
85.02942	1.9
86.09716	0.9
87.04485	1.1
88.99165	1.4
89.02422	1.1
89.03935	0.9
89.06041	1.7
98.97587	12.3
99.02999	0.9
101.00890	47.6
101.06059	2.6
102.00950	1.0
103.00652	1.2
103.02453	12.8
110.97581	1.6
111.04447	9.0
113.00881	4.8
113.06051	1.3
115.02453	3.4
115.05460	3.6
116.98627	4.5
117.04012	19.1
117.05504	1.7
117.07079	0.9
118.04178	1.5
119.01930	54.2
120.02036	0.8
121.01668	1.4
121.03524	2.4
127.02428	15.6
127.03312	1.0
127.07608	1.2
128.98541	1.3
129.04008	3.2
129.05501	1.1
129.10254	1.2
130.05054	0.7
131.01906	10.5
131.04948	1.5
133.01663	0.8
133.03484	8.8
133.06517	0.9
134.99698	1.0
135.05086	8.9
137.02985	5.8
139.02470	1.2
142.03574	0.9
143.01933	1.9
145.03477	100.0
146.03610	5.1
146.99704	0.7
147.01363	1.1
147.05089	1.2
149.02997	1.5
151.04494	1.5
153.00369	1.4
155.01920	1.7
155.07053	10.9
155.28116	0.7
156.06561	1.6
156.98119	1.0
157.03474	23.9
158.03600	1.5
159.05063	0.9
161.02971	4.1
161.05986	2.0
163.02669	0.8
163.04593	19.5
168.05087	1.2
171.01384	5.7
171.02840	0.9
171.05197	1.0
173.03075	3.6
173.06001	2.3
173.08112	5.8
174.03162	14.2
174.99150	4.7
175.00906	4.1
175.04541	43.8
176.04543	1.1
176.86333	0.7
185.02983	0.6
187.04472	0.9
187.08273	0.6
189.02455	7.7
189.05869	0.9
191.03979	2.2
193.00191	3.2
193.01987	1.6
193.03970	0.9
193.05516	3.8
194.02950	2.0
199.00848	1.8
199.04451	1.0
202.02625	62.8
203.02742	1.1
207.03484	1.5
217.01743	3.0
217.05128	90.1
217.10623	4.6
218.05403	2.1
221.04922	0.6
231.01804	0.9
235.02797	1.2
235.10573	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0496
Annotation	Bergapten
Peak:m/z	Relative Intensity
55.01874	0.2
59.08229	0.2
66.04698	0.2
66.97945	0.2
68.57661	0.2
70.86563	0.2
70.86880	0.3
89.03904	0.8
90.04702	0.8
91.05490	0.4
96.13611	0.2
102.04687	0.2
105.07024	0.5
115.05462	4.2
117.07020	1.3
118.04158	2.5
131.04950	1.9
133.06499	0.3
143.04951	0.4
145.02791	0.2
145.06479	0.7
146.03642	2.6
147.57063	0.2
156.01987	0.2
158.03636	0.8
159.05522	0.3
161.06007	1.8
171.05585	0.4
173.05995	3.2
174.03139	15.5
178.02620	0.6
189.05478	0.4
202.02623	80.4
203.02974	0.8
217.04973	100.0
218.05251	1.3
237.49988	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44739	0.7
51.21725	0.7
52.54744	0.8
53.03936	2.4
55.01854	2.7
55.05515	50.4
56.05035	1.3
56.96586	1.1
57.03423	2.1
57.07065	1.7
59.05014	1.0
61.81642	0.8
65.03928	1.3
65.73339	0.8
67.05510	28.1
69.03423	1.3
69.07072	49.6
70.06585	1.7
70.29417	3.1
71.04996	5.8
72.56764	0.8
73.06541	3.0
73.22433	0.9
75.05113	0.9
77.03943	0.9
79.05495	15.0
81.03401	1.0
81.07062	80.7
83.04987	5.2
83.08626	39.3
83.09125	2.0
84.08123	2.2
85.02882	1.2
85.06541	6.3
87.04452	1.3
91.05491	15.2
93.06483	1.6
93.07048	20.3
95.04984	2.3
95.08614	100.0
96.08927	0.9
97.06538	14.4
97.10175	13.4
98.20796	0.8
99.08086	3.6
101.06008	2.6
105.07038	19.6
107.08607	8.9
109.06530	4.5
109.10163	8.7
111.08085	4.3
113.06007	1.1
113.09634	1.4
115.07539	2.4
117.07014	1.2
119.08588	28.5
121.10164	9.8
123.08067	8.5
125.09551	0.7
127.07571	2.8
133.10144	18.7
135.11702	13.2
137.09645	3.8
137.13261	19.1
141.09096	1.9
149.13216	1.1
155.10637	0.8
159.11630	1.0
161.13272	49.6
178.16084	1.4
179.14349	9.5
196.16972	15.0
214.06117	0.8
214.18045	60.7
215.07077	0.8
226.10318	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	6.5
58.06613	1.6
61.02949	1.0
69.03437	1.1
69.07069	13.6
70.06624	1.5
70.27353	2.6
70.98130	1.7
72.08140	0.7
73.02925	0.9
78.22824	0.7
82.99842	7.6
84.07706	0.7
84.08128	3.9
84.96043	0.7
85.02920	0.8
86.09711	68.1
91.02338	0.8
97.02901	1.1
97.06535	10.2
98.97602	7.1
100.02472	3.2
101.00886	59.0
102.00967	1.0
110.01284	1.3
110.97585	1.4
111.00444	0.8
113.00876	0.7
116.98627	1.6
118.03522	11.6
119.01927	100.0
120.02016	2.2
126.04008	0.8
126.07688	1.2
128.98592	1.7
131.01884	1.7
133.03453	1.9
136.04547	1.2
136.07629	0.9
137.02959	15.5
142.03523	1.2
144.05058	1.2
144.08716	2.4
154.01910	0.8
155.05563	1.6
158.06664	1.1
161.02840	0.8
162.09723	1.0
163.02686	0.8
163.04404	1.8
168.08693	5.6
172.04587	1.1
172.08188	1.5
173.06612	1.6
186.09766	45.6
187.09880	1.2
190.98602	1.1
191.04045	0.9
196.08188	2.0
197.06606	4.6
204.10823	11.0
214.07556	1.2
214.09254	25.7
215.06064	0.6
215.07674	5.5
215.09505	1.3
232.10335	47.5
233.08589	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	214.0504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	6.0
56.96575	39.0
57.03440	34.6
58.99863	4.0
61.02931	100.0
62.03251	3.8
69.03430	18.4
70.06587	6.6
70.45860	5.0
70.46220	9.0
70.48643	3.6
70.99844	9.0
72.08135	5.3
73.02926	42.7
77.00893	10.2
80.93222	3.9
81.03402	3.8
82.01424	5.3
82.99834	6.8
83.74093	3.1
84.08136	10.1
85.02913	34.8
86.99316	7.7
88.02676	4.0
89.00882	7.0
91.02518	4.0
97.02879	15.1
98.97549	9.8
100.02522	9.1
100.99122	7.3
101.00880	56.5
102.02422	8.6
102.96936	3.6
107.33006	3.2
109.02885	3.2
110.97577	5.4
111.02901	5.5
112.07584	8.4
113.00879	14.4
115.02432	17.0
116.02100	3.3
117.02952	4.1
118.03559	9.2
119.01913	79.5
120.02059	7.8
120.03425	11.6
121.01663	4.8
126.03416	8.9
126.98762	5.5
127.02435	7.6
127.03970	10.6
128.02301	3.5
128.98598	7.9
129.03949	9.6
130.03654	3.6
131.01886	27.2
131.02684	6.4
132.02026	5.7
133.03452	27.5
134.03500	4.5
136.01871	3.5
137.02888	13.1
139.02434	3.5
140.03102	3.4
143.01868	24.5
143.02705	2.9
144.05147	3.8
144.98053	8.2
144.99832	10.4
145.02379	21.0
145.03453	17.9
146.99637	12.0
147.01329	3.3
149.02908	3.9
150.05484	9.2
152.03197	6.0
154.02943	10.3
154.53001	3.8
155.01912	11.4
157.03471	8.3
157.20013	3.4
160.02968	8.5
160.06387	5.0
161.02802	23.7
162.02998	4.5
162.99147	6.1
163.03445	4.1
165.00653	4.3
166.02803	5.8
167.01866	6.1
168.01425	6.8
168.99858	17.4
171.01457	5.3
172.99321	4.6
173.02971	33.7
174.03064	7.4
175.03548	6.9
177.02478	19.3
185.02928	18.3
186.03000	4.7
187.00906	20.9
190.05580	5.7
190.07321	5.2
190.98610	6.9
191.02266	6.5
191.03979	12.0
193.05359	3.7
196.00754	4.7
196.03992	6.2
196.99356	8.9
199.00865	4.7
200.04027	4.3
201.02646	4.6
203.03995	13.4
205.01889	6.9
208.99664	9.2
213.14082	3.5
214.05476	7.1
214.07285	8.2
214.10689	12.1
215.00386	27.6
215.03867	3.2
219.03491	3.5
221.05093	18.7
229.01828	9.6
231.03673	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	213.1123
Annotation	Melazolide A
Peak:m/z	Relative Intensity
53.03939	2.2
55.01875	2.4
55.05514	3.4
56.96569	1.5
57.03428	1.9
58.31805	0.9
65.03947	1.2
67.05506	2.5
69.03433	2.8
69.07071	1.3
70.06600	2.3
70.24876	1.1
70.62402	3.4
72.08139	1.2
79.05499	13.8
81.03429	3.3
81.07057	4.6
83.04984	3.1
84.08124	1.8
85.02886	1.8
91.05488	26.4
93.07052	28.2
93.07635	1.4
95.04973	2.9
95.08603	1.8
97.06534	1.6
99.04465	1.4
103.05463	2.1
105.07042	40.1
107.04976	3.3
107.08601	62.5
109.06532	3.4
109.10194	1.6
111.04440	1.7
111.08088	4.0
114.58931	1.1
115.05418	1.5
116.06232	3.1
117.07027	2.9
119.05016	1.2
119.08589	100.0
120.08907	1.8
121.06511	3.0
121.10155	27.6
123.04425	2.0
123.08086	3.9
125.05979	2.9
125.09573	2.3
127.03918	1.5
129.07010	4.2
131.07596	2.3
131.08583	37.6
133.06508	4.2
133.10133	6.7
135.04440	1.2
135.08040	5.4
137.05974	2.1
137.07909	1.0
137.09624	1.7
140.36409	1.2
141.05466	1.8
147.08055	43.6
149.09628	39.8
151.07593	1.1
151.11205	3.2
153.05487	5.8
159.08073	9.9
163.03929	1.1
165.09125	32.5
167.10667	9.1
175.45442	1.0
177.09120	32.2
191.69189	0.9
195.06898	1.1
195.10190	31.3
195.48085	1.4
213.05537	1.8
213.09166	1.1
213.11208	24.1
221.86438	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1123
Annotation	Melazolide A
Peak:m/z	Relative Intensity
51.02372	0.9
53.03934	3.2
55.01874	5.5
55.05514	5.8
56.05030	1.2
56.96571	6.7
57.03428	3.3
57.07063	1.0
59.04988	0.8
61.02915	0.9
62.95811	1.0
65.03925	2.1
67.05490	3.8
67.14449	0.7
68.99774	1.7
69.03099	0.8
69.03436	12.6
69.07069	4.3
70.06590	9.4
70.95862	0.9
71.04970	3.7
71.48917	1.0
72.08154	6.9
72.93764	0.9
73.02893	1.7
77.03906	0.8
79.05492	13.6
81.03436	6.1
81.07067	6.7
83.04963	3.7
83.08614	1.2
84.08115	2.5
85.02908	4.9
85.06531	2.5
86.09708	8.6
87.00803	1.0
87.04444	1.2
87.11616	0.8
88.07626	2.2
91.05486	28.6
92.05823	1.1
93.06499	1.8
93.07053	33.9
95.04983	6.1
95.08643	4.5
97.02912	5.9
97.06541	2.2
98.97581	3.3
99.04476	4.9
99.47145	0.8
100.99113	1.0
103.05469	3.2
105.07037	39.0
107.04952	5.2
107.08604	60.1
109.02879	6.6
109.06517	4.9
109.10140	2.5
110.01553	0.9
110.03654	2.9
110.07158	2.0
110.97578	1.7
111.04442	1.4
111.08095	7.5
115.05441	1.8
116.06223	4.0
116.06966	1.0
117.07008	4.4
119.04942	2.6
119.08589	100.0
120.08107	1.0
120.08888	1.6
121.06509	6.1
121.08405	1.6
121.10155	36.6
123.04433	1.2
123.08046	3.6
123.89934	0.9
125.02327	2.9
125.05979	2.8
125.09642	14.6
127.03095	1.1
127.03933	11.8
128.06207	2.1
128.98613	1.0
129.07002	7.1
130.96291	2.1
131.08578	33.0
133.06516	13.9
133.07526	1.0
133.10133	13.6
135.04419	4.3
135.08060	12.4
136.07526	1.3
137.05949	2.2
137.09634	2.0
139.05409	1.5
139.07489	1.6
139.09529	1.4
142.08691	1.5
145.04860	1.0
147.06964	1.7
147.08054	20.0
148.97340	3.7
149.05954	1.0
149.09633	47.3
151.03891	3.2
151.07559	8.3
151.11171	1.5
153.01840	1.9
153.05453	5.5
153.09094	3.4
155.88309	0.9
157.06514	2.2
157.10187	1.4
159.08075	8.8
165.09128	21.5
167.07004	2.1
167.10690	15.9
171.11656	1.3
177.09119	55.8
177.12566	1.5
180.55219	6.7
185.05939	5.2
189.04375	1.0
189.55733	13.4
190.05904	3.4
195.06471	3.4
195.10173	39.7
195.13733	1.4
198.04372	3.1
207.98647	1.0
208.99602	1.2
213.03824	1.9
213.05486	7.6
213.09262	2.4
213.11189	34.5
213.14453	1.8
216.05457	7.4
234.06546	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0759
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
50.02129	0.8
51.36927	0.8
53.03946	3.7
55.01867	1.8
55.05512	0.9
56.96569	6.1
61.02932	9.7
65.03942	8.5
67.05512	3.4
68.99785	1.3
69.03434	1.2
70.06576	2.3
70.71702	1.8
72.08159	5.4
77.03931	1.6
79.05495	20.7
81.03410	1.7
85.02912	1.1
86.09702	6.6
89.03907	1.0
91.05487	4.3
93.03419	12.1
93.07047	1.9
95.04988	3.7
95.08562	0.8
98.12279	0.8
98.97593	1.4
99.12837	1.0
100.99173	1.6
105.03381	2.0
105.04519	1.4
107.04962	27.8
107.08607	0.8
108.02124	2.9
109.02876	1.4
110.03669	26.4
110.07111	0.9
110.97601	1.0
111.04449	8.2
117.03429	1.8
119.04967	2.0
119.08635	1.0
121.03986	1.0
121.06513	11.8
122.03649	5.4
123.04486	1.3
125.06000	62.1
125.09569	0.9
127.03934	1.7
128.98634	1.1
130.96333	2.0
133.02856	14.5
134.03621	2.2
134.98051	0.9
135.04419	29.0
137.05988	5.0
141.05476	3.3
148.97392	2.1
149.05989	23.7
149.25089	0.9
150.03120	12.7
151.03918	100.0
151.05043	12.0
153.05486	12.7
162.03098	2.0
163.03896	7.6
165.05489	37.3
167.07048	16.6
172.36572	0.8
177.05469	20.6
177.06892	1.7
185.05933	1.7
190.98602	1.9
195.06529	14.5
203.83934	0.8
213.05484	7.6
213.07574	5.1
215.20901	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.9
55.05499	3.0
56.05041	1.3
56.12265	1.0
56.96568	83.9
57.03443	17.4
58.06597	1.7
58.99851	1.1
61.02932	16.9
69.03436	13.9
69.07065	4.1
70.02950	1.2
70.06597	13.4
70.07861	3.5
70.98129	12.2
70.99850	1.8
71.01368	2.2
71.04994	2.3
71.95265	8.1
72.08156	3.7
72.96021	2.1
73.02921	32.9
75.01060	1.2
81.03412	7.0
82.99852	3.0
83.00792	1.2
83.04993	1.6
84.04521	1.3
84.08157	15.0
84.11078	1.2
84.96033	11.4
85.02908	24.4
85.08424	1.3
86.03241	2.0
86.03700	2.3
86.09714	40.0
87.04462	1.1
88.99150	2.9
89.00787	3.0
91.05466	1.6
95.00790	2.4
95.01337	1.9
96.01557	2.9
97.01357	1.3
97.02895	13.7
97.06532	2.6
98.01292	3.7
98.06019	1.3
98.20826	1.4
98.97591	100.0
99.04461	2.4
99.97954	2.3
100.02477	2.3
100.99142	3.1
101.00882	29.7
102.00972	3.5
103.00604	2.4
103.02390	1.1
104.01324	1.6
106.01046	1.7
108.01616	1.5
109.00528	1.6
109.02882	3.3
110.01292	10.0
110.07182	10.2
110.97577	18.6
111.51843	1.4
112.07590	9.0
112.11233	1.5
112.99162	2.1
113.00865	8.3
113.02379	1.1
113.07967	2.9
114.09031	1.1
115.00620	4.5
115.02425	4.0
116.01257	2.6
116.02550	1.2
116.07105	2.0
116.98630	36.1
117.02008	2.1
118.01044	2.3
118.03533	3.3
119.01911	62.5
119.04914	1.9
120.02046	2.6
120.52496	1.1
121.01640	2.7
122.01276	2.0
123.00275	1.5
123.02957	1.4
124.95435	5.6
124.99104	5.0
125.01817	1.9
126.97068	2.1
127.00636	1.0
127.02394	1.2
127.03941	8.0
128.02312	14.2
128.98616	17.8
129.02106	1.0
130.05042	1.2
131.00218	2.5
131.01903	19.2
131.96051	1.3
132.00752	4.0
132.02010	1.2
133.01651	10.0
133.03435	7.6
134.03514	1.3
134.99681	9.0
135.03152	2.3
136.06335	1.0
136.07555	2.4
137.01868	1.9
137.02901	14.5
137.05957	2.9
139.01520	3.0
140.02368	2.1
140.98610	3.9
141.01276	3.0
142.07127	2.3
142.10548	1.3
142.96533	3.7
143.00203	8.4
143.01892	8.1
144.00713	1.3
144.02054	2.5
144.03490	1.6
144.08688	1.6
144.98096	3.5
145.01653	3.7
145.03470	6.5
145.04953	1.6
146.03577	1.9
146.99669	11.3
147.01390	2.7
147.03192	3.3
149.01201	1.6
149.03012	2.7
149.07085	4.3
150.01807	2.6
150.05542	2.6
151.29745	1.3
152.02332	1.7
152.07069	1.2
152.94922	1.5
152.98625	2.2
153.00330	3.0
153.05684	1.5
154.01912	1.4
154.03581	1.3
154.96539	2.7
155.01830	1.7
155.02925	1.5
156.07697	1.8
156.98152	1.4
157.01587	1.4
157.03479	4.1
157.94032	1.4
158.06683	1.3
158.99649	6.0
159.01389	2.7
159.05125	1.8
159.06792	7.7
160.02098	1.3
160.08208	3.1
161.01135	5.8
161.02937	9.3
162.01805	4.2
162.02985	2.0
162.99141	2.2
163.02768	1.4
163.04425	1.7
165.00771	1.3
166.02095	1.8
167.11789	1.2
168.01842	6.7
168.08673	1.3
169.02585	2.9
170.95949	1.4
170.99678	7.9
171.01393	17.2
171.05043	2.6
171.06726	1.8
171.99176	1.9
172.04594	1.6
172.08202	4.1
172.97612	6.6
173.01321	2.2
173.02933	4.8
173.06631	2.2
174.01790	4.1
174.99130	3.2
175.02614	3.4
175.04500	2.0
177.00774	3.1
177.02371	7.1
177.04121	1.1
177.06474	1.9
177.07805	2.7
182.99695	1.7
183.02301	6.0
183.05159	1.4
184.97626	1.8
185.01234	1.6
185.02933	3.4
186.09766	24.2
186.99205	2.2
188.97054	4.0
189.00719	10.9
189.02475	6.4
189.04298	4.7
189.06062	1.6
189.07898	4.0
190.02654	1.2
190.07555	1.5
190.98642	7.1
191.02338	1.9
191.04057	1.8
192.02827	3.0
195.05005	1.4
197.06686	1.2
201.00694	4.1
202.98528	1.8
203.02290	1.3
203.04044	3.1
204.02876	1.6
204.10828	4.6
205.00258	1.9
207.01767	3.1
207.05386	1.5
208.99669	3.2
213.02579	6.6
213.05977	1.6
213.07874	15.4
213.10771	1.5
213.12535	2.1
213.16042	3.9
214.09265	10.7
214.98656	3.6
215.07619	2.2
219.01878	4.2
221.04964	1.7
230.98111	2.6
231.03572	4.2
231.08966	10.5
231.11121	1.5
232.08299	1.7
232.10344	19.8
232.99698	2.7
233.08636	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1694
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03943	2.0
55.05520	20.2
56.81272	1.5
57.03427	2.2
57.07063	4.7
59.04993	2.6
61.15371	1.4
66.35432	1.3
67.05509	41.6
69.03431	9.8
69.07072	19.0
71.04981	4.9
75.19859	1.6
79.05489	10.1
81.07062	35.9
83.04969	8.4
83.08626	12.7
85.06552	9.2
91.05469	6.0
93.07046	20.5
95.04979	26.9
95.08613	100.0
97.06503	3.1
97.10173	3.7
99.08077	6.2
101.06023	2.6
105.07053	11.0
107.08605	27.2
109.06496	6.2
109.10166	90.9
111.08066	3.8
115.07556	6.8
119.08601	21.3
121.10165	14.1
123.08064	9.4
123.11743	12.2
125.09636	12.5
133.10127	25.1
135.11699	46.1
136.12021	2.1
137.09621	23.9
139.11177	5.1
147.11674	4.1
149.05968	1.9
149.13261	8.2
151.11195	8.1
151.14827	5.7
153.12701	2.1
155.10677	3.1
163.14813	6.8
165.16393	3.4
167.07083	7.8
167.08298	1.6
169.10173	1.5
175.14827	19.9
179.07045	2.5
181.08543	2.0
181.15874	3.1
183.04404	1.5
193.15898	24.3
193.17618	1.1
196.12399	1.5
211.14905	3.7
211.16914	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	211.1694
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03948	1.8
55.01876	6.2
55.05513	16.4
57.03432	11.3
57.07066	3.4
59.05010	3.1
67.05508	24.8
67.87463	1.0
69.03430	55.9
69.07068	18.3
70.06588	2.0
70.67942	2.2
70.68340	2.2
71.04996	10.5
71.08628	1.1
73.02953	2.2
73.06547	1.4
79.05498	12.6
80.47231	1.2
81.03426	6.0
81.07058	25.0
83.01350	1.8
83.04983	14.3
83.08623	7.3
85.02908	24.5
85.03386	2.1
85.06555	7.2
91.05482	12.6
93.07048	22.0
94.07396	1.1
95.01270	1.1
95.04976	13.7
95.08607	42.5
97.02890	5.6
97.06507	5.9
97.10171	3.3
98.06055	1.0
99.04451	4.1
99.08097	4.2
100.34688	1.2
101.06003	1.9
103.05511	1.8
105.07047	15.8
107.08602	18.9
108.08950	1.2
109.02884	4.2
109.06516	9.4
109.09377	1.9
109.10159	37.1
111.04488	2.3
111.08099	11.9
111.11732	2.4
113.06010	4.0
113.09687	1.7
117.06979	2.0
117.95287	1.1
119.04936	2.7
119.06111	1.4
119.07796	2.2
119.08586	23.1
121.06519	2.4
121.09334	2.3
121.10154	25.9
123.04436	9.2
123.08086	9.4
123.10911	1.1
123.11697	6.1
125.06015	1.7
125.09634	100.0
126.09956	1.7
127.07523	1.3
127.11184	2.8
129.06985	1.1
131.08546	1.7
132.01883	1.1
133.06461	2.3
133.10135	14.0
135.04472	1.4
135.08102	1.6
135.11711	12.8
137.02312	3.4
137.06003	2.7
137.09605	16.5
137.10608	1.6
137.13197	1.4
139.07524	2.3
141.09126	2.5
147.04439	1.9
147.11688	5.5
149.05994	1.2
149.09727	1.5
149.13272	9.5
151.03935	4.0
151.07582	8.6
151.11200	3.4
151.14822	3.6
155.04926	23.1
155.08678	2.5
155.10698	21.2
165.09146	3.7
165.16441	3.3
167.07034	6.8
169.10214	1.4
175.14816	13.1
175.77644	1.2
179.07031	15.8
183.04443	12.1
183.11700	1.9
193.08609	4.7
193.12276	3.9
193.15913	18.4
205.98747	1.3
211.03935	23.4
211.07576	4.0
211.09595	2.4
211.14861	2.8
211.16948	32.2
212.11900	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.8
55.01876	6.2
55.05513	16.4
57.03432	11.3
57.07066	3.4
59.05010	3.1
67.05508	24.8
67.87463	1.0
69.03430	55.9
69.07068	18.3
70.06588	2.0
70.67942	2.2
70.68340	2.2
71.04996	10.5
71.08628	1.1
73.02953	2.2
73.06547	1.4
79.05498	12.6
80.47231	1.2
81.03426	6.0
81.07058	25.0
83.01350	1.8
83.04983	14.3
83.08623	7.3
85.02908	24.5
85.03386	2.1
85.06555	7.2
91.05482	12.6
93.07048	22.0
94.07396	1.1
95.01270	1.1
95.04976	13.7
95.08607	42.5
97.02890	5.6
97.06507	5.9
97.10171	3.3
98.06055	1.0
99.04451	4.1
99.08097	4.2
100.34688	1.2
101.06003	1.9
103.05511	1.8
105.07047	15.8
107.08602	18.9
108.08950	1.2
109.02884	4.2
109.06516	9.4
109.09377	1.9
109.10159	37.1
111.04488	2.3
111.08099	11.9
111.11732	2.4
113.06010	4.0
113.09687	1.7
117.06979	2.0
117.95287	1.1
119.04936	2.7
119.06111	1.4
119.07796	2.2
119.08586	23.1
121.06519	2.4
121.09334	2.3
121.10154	25.9
123.04436	9.2
123.08086	9.4
123.10911	1.1
123.11697	6.1
125.06015	1.7
125.09634	100.0
126.09956	1.7
127.07523	1.3
127.11184	2.8
129.06985	1.1
131.08546	1.7
132.01883	1.1
133.06461	2.3
133.10135	14.0
135.04472	1.4
135.08102	1.6
135.11711	12.8
137.02312	3.4
137.06003	2.7
137.09605	16.5
137.10608	1.6
137.13197	1.4
139.07524	2.3
141.09126	2.5
147.04439	1.9
147.11688	5.5
149.05994	1.2
149.09727	1.5
149.13272	9.5
151.03935	4.0
151.07582	8.6
151.11200	3.4
151.14822	3.6
155.04926	23.1
155.08678	2.5
155.10698	21.2
165.09146	3.7
165.16441	3.3
167.07034	6.8
169.10214	1.4
175.14816	13.1
175.77644	1.2
179.07031	15.8
183.04443	12.1
183.11700	1.9
193.08609	4.7
193.12276	3.9
193.15913	18.4
205.98747	1.3
211.03935	23.4
211.07576	4.0
211.09595	2.4
211.14861	2.8
211.16948	32.2
212.11900	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.133
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
51.02388	1.6
51.11671	1.5
53.03942	8.0
54.14900	1.4
55.01881	10.9
55.05515	48.2
56.96569	6.1
57.03440	15.7
57.07070	3.5
59.05005	2.7
64.79356	1.6
65.03938	3.4
67.05511	42.3
69.03435	15.9
69.07076	17.7
70.06609	4.1
70.81542	4.9
71.04991	13.9
79.05496	46.9
80.04956	1.8
81.03421	100.0
81.07058	59.3
83.01345	1.9
83.04987	50.8
83.08620	35.2
83.52423	1.6
84.08151	1.6
85.02892	2.0
85.06540	6.8
89.55267	1.8
91.05488	46.7
93.07044	28.5
95.04974	39.2
95.08608	27.7
97.02911	6.4
97.06528	10.3
97.10162	8.0
99.04475	7.6
99.08105	4.8
102.51711	1.7
103.05492	3.2
105.03385	1.9
105.04527	1.8
105.07042	35.3
107.04985	7.0
107.08591	14.9
109.02876	4.1
109.06528	15.4
109.10159	16.6
111.04491	4.3
111.08076	14.6
113.05974	2.8
115.05419	2.1
117.06994	2.7
119.08592	25.6
120.08125	2.7
121.06506	6.0
121.10159	9.1
123.04437	12.6
123.08102	8.1
123.11699	6.9
125.06009	14.9
125.09646	16.2
127.07539	1.8
128.06270	2.7
129.07016	14.2
131.08543	11.2
133.02800	2.0
133.06496	5.9
133.10123	17.2
135.08015	3.6
135.11697	5.8
137.05995	17.5
137.09621	6.2
141.05388	2.4
141.07010	6.1
142.07759	4.3
143.08501	3.6
145.10208	1.8
145.96684	2.6
147.04433	1.9
147.08060	5.6
147.11682	18.4
149.05969	5.3
149.09598	8.5
149.13261	1.9
151.03935	2.9
151.07571	6.6
151.11223	5.3
153.07010	5.2
153.09094	4.3
153.12756	1.8
154.07771	4.4
155.04921	5.1
155.08556	18.1
156.09393	2.4
157.10107	16.4
161.05972	1.8
163.97810	2.7
165.05510	2.4
165.07045	3.2
165.09145	4.5
165.12787	3.4
167.07059	23.8
167.08562	6.9
168.05759	3.9
168.09341	3.6
169.10127	38.0
170.10971	3.3
175.11194	19.8
175.14943	3.2
178.07861	1.8
179.07097	13.0
181.06424	2.1
181.10083	14.1
182.10899	5.6
183.08047	4.7
183.11606	11.0
191.62151	1.6
193.04997	4.9
193.08615	4.6
193.10355	3.2
193.12251	34.4
193.15950	4.7
196.05217	4.0
196.08794	3.5
196.12479	14.4
205.98772	6.5
211.03986	4.0
211.05817	3.1
211.07648	19.4
211.09497	2.9
211.11217	8.2
211.13249	9.6
211.14844	49.0
211.16977	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	211.1329
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
50.54460	2.9
53.03939	3.4
55.01864	14.1
55.05511	16.2
56.96568	3.5
57.03428	8.9
63.84761	3.6
67.05516	48.8
67.69051	2.7
69.07066	22.7
71.05002	7.2
71.48679	4.0
79.05122	3.5
79.05508	31.6
80.16167	4.1
80.29800	3.1
81.07063	100.0
83.04971	9.2
83.08615	9.9
85.06544	6.0
85.71152	3.1
89.49776	3.1
91.05488	65.9
93.07059	22.2
95.04970	10.9
95.08619	23.0
97.06545	18.2
99.08076	3.6
105.07038	58.8
107.08613	17.5
109.06506	16.2
113.06029	3.6
119.08601	42.3
121.10161	22.6
123.08065	4.7
123.11703	30.4
129.06993	15.6
131.08548	12.4
133.10138	53.1
137.09625	5.8
142.07799	4.7
147.11699	89.1
149.09610	7.3
151.11192	3.7
152.27458	3.8
157.10173	25.0
165.12767	21.2
167.07054	4.7
169.10072	4.6
175.11174	24.4
193.12271	17.0
205.98814	4.1
211.07568	8.4
211.11412	4.5
211.13266	10.4
211.14932	7.4
216.36818	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	211.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
55.01867	0.5
55.05511	1.5
56.28527	0.3
57.03426	0.4
67.05511	1.8
69.03432	1.7
69.07087	1.7
71.04997	1.6
71.49006	0.4
79.05493	1.6
80.42108	0.3
81.03413	0.5
81.07063	3.5
83.04990	1.4
83.08627	0.5
85.02956	0.4
85.06571	1.7
85.61539	0.3
91.05484	1.3
93.07060	3.0
95.04977	1.2
95.08615	3.9
97.06520	0.5
99.04448	0.5
99.08076	0.8
101.06034	0.4
103.05488	0.8
105.07030	1.3
107.08593	4.2
109.06524	1.1
109.10165	3.8
110.06853	0.4
111.08076	1.1
115.05418	0.4
119.08568	2.4
121.10170	1.2
123.04416	0.4
123.08087	0.4
123.11691	1.6
125.08756	0.5
125.09618	3.2
126.04671	0.9
127.05446	5.0
129.03421	0.4
133.10161	1.6
135.08043	0.6
135.11702	5.7
137.06046	0.4
145.06534	1.1
147.11708	0.7
149.05995	0.4
149.13271	1.0
151.07564	0.5
151.11201	0.6
152.04738	0.4
153.12735	1.5
155.04922	94.6
156.05238	1.5
163.14841	3.4
165.07095	0.6
167.07030	2.8
167.08432	0.7
168.05824	0.4
169.10138	0.9
175.14803	1.8
179.06999	1.2
181.10010	0.3
183.04425	38.9
184.04736	0.7
193.15900	1.1
211.03908	100.0
211.14835	1.7
211.16930	2.6
212.04237	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.49333	1.5
53.03945	3.1
55.01860	4.8
55.05268	2.2
55.05516	26.4
57.03436	4.1
57.07069	6.3
59.05001	3.9
65.03937	2.1
67.05512	12.0
69.03416	5.4
69.07070	14.2
71.04993	5.5
71.06105	4.0
79.05495	13.3
81.07062	25.5
83.04989	60.5
83.08627	16.5
85.02943	1.6
85.06550	4.0
91.05479	11.7
93.03391	3.3
93.07056	15.4
95.04972	45.7
95.08608	14.9
97.06548	20.3
97.10178	4.1
99.04478	9.7
99.08107	1.6
103.05441	2.1
105.07008	9.9
106.04172	9.0
107.08616	26.9
109.06526	100.0
109.10161	26.1
111.08078	11.1
113.06029	1.6
117.07018	2.0
119.08585	5.8
121.06496	13.2
121.10143	23.5
122.07257	1.9
123.08080	10.7
123.11710	5.6
125.05997	3.6
125.09653	14.9
125.13243	1.8
131.08559	6.3
133.10136	18.5
135.08063	17.2
135.11748	3.6
137.09616	1.8
139.07529	7.4
145.02858	2.1
145.10127	3.9
147.11588	2.5
149.06023	12.8
149.09625	6.0
149.13268	10.7
151.11203	14.0
153.09111	36.9
163.11060	1.7
163.14830	5.9
167.14352	15.5
173.13287	14.8
177.05540	4.7
181.08594	3.0
191.06998	1.7
191.14308	19.4
209.08038	3.0
209.15382	66.5
221.48016	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03949	1.8
54.01805	0.3
55.01872	4.6
55.05513	27.2
57.03434	1.1
57.07073	3.6
59.05009	0.8
65.03948	0.6
67.05505	13.8
69.03430	0.7
69.07071	3.3
71.04994	1.4
71.49015	0.3
78.09131	0.4
79.05495	11.9
81.07059	18.5
81.77834	0.3
83.04983	100.0
83.08623	4.1
84.05286	0.3
85.06544	2.2
85.87907	0.3
91.05487	5.7
93.07048	24.4
94.49049	0.4
95.04970	2.7
95.08610	16.3
97.06531	2.1
97.10181	1.7
99.04433	0.5
99.08093	0.9
103.05433	0.4
105.04472	0.4
105.07023	3.1
107.04967	0.8
107.08599	17.4
109.06518	1.9
109.10158	5.8
111.04423	0.6
111.08076	8.6
117.07012	1.4
117.95992	0.8
119.08555	1.6
121.06536	2.3
121.10147	9.9
123.08064	0.6
123.11710	1.5
125.06036	0.4
125.09643	1.6
126.01077	0.4
127.07552	0.3
131.08571	3.5
133.10129	2.0
135.08063	3.3
135.11699	1.9
137.09616	0.9
137.69887	0.3
139.07515	0.7
145.10121	1.2
147.11691	1.3
149.06033	0.4
149.09624	3.0
149.13269	8.5
151.11162	0.5
153.05490	0.5
153.09088	2.2
163.11105	0.4
163.14827	7.1
167.10719	0.7
167.14282	0.7
173.13289	3.6
177.05540	0.5
181.15936	1.5
191.06949	0.3
191.10664	0.3
191.14297	5.2
194.10966	0.3
209.04291	0.4
209.06090	0.5
209.09639	1.1
209.11690	1.1
209.13509	0.5
209.15350	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03961	0.7
55.01876	1.0
55.05526	0.8
57.07077	4.5
65.03954	0.8
67.05492	4.4
69.03422	1.5
69.07076	2.9
71.04991	2.4
71.28415	0.9
79.05503	5.0
81.07063	5.9
83.04986	2.3
83.08618	1.8
85.06564	0.8
91.04961	1.0
91.05489	5.7
93.03400	0.9
93.07046	6.3
95.04958	5.2
95.08616	6.8
96.10945	0.6
97.06528	1.3
103.05459	0.7
103.93853	0.5
105.07024	3.8
106.04156	1.8
107.04974	1.3
107.08604	9.2
109.06525	100.0
109.10162	10.5
111.08079	1.7
115.05494	0.7
117.07042	0.8
119.08572	2.1
121.06520	3.5
121.10141	4.7
123.08071	10.1
123.11717	1.0
125.06005	0.9
125.09650	1.9
131.08577	5.3
133.10132	4.0
135.08063	21.7
135.11728	1.0
137.06033	0.7
139.11159	0.6
143.08592	0.8
145.10139	1.9
147.11696	1.3
149.05998	3.3
149.09618	3.8
149.13261	2.4
150.10445	1.5
151.11176	5.4
153.09129	3.6
155.72929	0.6
158.10939	1.4
161.09648	0.7
163.11162	0.8
163.14830	1.0
165.12781	0.9
173.13264	6.6
176.12013	1.0
177.05534	1.5
191.14314	19.1
209.04500	1.1
209.08156	1.4
209.15356	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	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.01878	7.5
55.05515	17.5
57.03430	13.3
57.07076	6.7
59.04990	3.3
67.05508	25.4
68.99779	4.0
69.03419	8.8
69.07062	29.6
69.16039	2.7
69.40988	19.7
71.04986	11.4
79.05493	26.2
79.09935	3.1
81.03394	5.4
81.07061	46.5
82.27716	3.2
83.04984	35.7
83.08611	11.8
85.06539	13.5
91.05456	19.5
93.07051	52.6
95.04990	14.8
95.08618	41.6
97.06525	14.8
98.21499	4.7
99.04440	5.1
99.08079	18.1
105.07040	22.5
106.04156	4.0
107.04959	6.2
107.08600	100.0
109.06525	27.2
109.10163	36.8
111.08087	11.7
117.07031	3.6
119.08575	12.7
119.53788	3.8
121.06541	16.6
121.10154	53.7
123.08080	23.8
123.11700	10.5
125.05987	10.6
125.09624	18.3
131.08595	17.3
133.10130	33.3
135.08058	26.6
135.11696	14.0
137.09636	16.5
139.07562	10.1
139.11206	5.7
145.10117	9.7
147.11687	17.5
149.06032	6.1
149.09633	72.2
149.13263	41.5
151.11191	83.2
151.39040	2.9
153.08031	3.3
153.09090	16.7
158.10854	4.1
163.14780	18.8
173.13246	31.5
177.05547	5.6
191.14334	66.3
207.81294	3.2
209.15375	66.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1539
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03936	2.5
55.01862	2.0
55.05515	22.4
57.03441	2.1
57.07072	4.7
59.04982	2.5
64.47076	1.0
67.05513	8.6
69.03423	3.4
69.07077	6.4
71.04985	4.5
71.20939	2.3
71.42724	1.1
78.51401	1.0
79.05499	8.1
81.07068	19.1
83.04985	50.2
83.08626	11.7
85.06553	2.5
91.05480	6.4
93.06493	1.1
93.07055	14.7
95.04976	36.2
95.08620	11.1
97.06536	16.7
97.10131	2.5
99.04462	7.1
99.08076	1.0
105.06530	0.9
105.07050	10.4
106.04210	1.0
107.08605	22.4
109.06524	100.0
109.10162	18.2
111.04447	1.3
111.08083	7.4
117.07017	1.2
119.08577	3.7
121.06480	2.1
121.10153	21.4
123.08067	9.6
123.11704	3.3
125.05987	1.3
125.09664	6.7
131.08582	5.9
133.10132	14.6
135.08069	14.8
135.11674	2.4
139.07545	1.9
139.11208	1.2
145.10141	2.0
147.11784	2.0
149.06021	2.5
149.09657	4.8
149.13268	9.8
151.11188	9.7
153.09097	20.5
157.78102	1.0
158.10858	1.7
163.14816	4.6
167.14314	13.6
173.13290	9.5
177.05479	2.3
191.14337	20.1
209.11899	3.8
209.15379	32.8
210.15535	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03939	3.0
54.76248	1.8
55.01875	2.1
55.05515	12.1
57.03433	9.2
57.07067	6.1
59.04991	5.1
63.04381	1.8
66.11977	2.0
67.05508	13.2
68.99789	3.1
69.03423	6.9
69.07072	18.2
70.86999	5.6
71.04974	7.0
77.81605	1.9
79.05499	16.3
81.07059	33.1
83.04987	21.0
83.08606	8.8
85.02869	2.0
85.06533	9.2
91.05495	17.0
91.06036	2.9
92.70408	1.9
93.07056	36.2
95.04978	6.8
95.08618	27.1
97.06551	12.2
97.07064	1.9
97.10164	2.5
99.08105	19.0
102.80453	1.9
105.07035	19.1
107.04945	3.8
107.08602	57.1
109.06526	14.9
109.10167	21.1
111.04442	3.2
111.08054	10.4
115.05376	2.0
117.07027	2.5
119.08583	6.6
121.06521	10.2
121.10147	33.7
123.08070	15.2
123.11710	7.5
125.05989	7.5
125.09611	14.0
125.13229	2.2
131.08565	18.0
133.10133	24.5
135.08057	13.9
135.11696	8.5
137.09616	12.2
139.07530	8.6
139.11137	3.4
145.10161	4.3
147.11710	8.6
148.55672	2.1
149.09634	100.0
149.13252	26.9
151.11185	48.1
153.09116	12.9
163.11223	3.7
163.14868	10.9
173.13264	19.8
191.14322	32.6
209.15369	48.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.0
53.69872	0.9
55.01874	1.8
56.01334	0.7
56.96567	3.7
57.03425	2.4
58.99864	3.0
61.02921	3.5
68.98289	2.4
69.03445	3.9
69.20538	7.3
69.98372	1.0
70.06586	1.4
70.99859	2.7
73.02916	4.8
77.00892	1.5
81.03427	5.3
82.01449	2.2
82.99854	2.1
83.01468	0.9
83.05042	0.8
84.04469	1.1
84.08144	1.5
85.01405	1.3
85.02900	4.8
86.99328	1.4
87.04469	1.3
89.00882	1.7
91.05470	1.0
94.99825	1.1
97.01395	2.3
97.02920	4.5
98.03295	0.8
98.20715	1.3
98.97602	3.1
100.00089	2.7
100.02499	2.3
101.00883	16.6
101.02553	1.7
102.00994	1.2
103.00656	1.3
103.02418	2.0
105.00348	2.0
105.06905	0.7
109.02879	3.5
110.97571	1.6
111.02926	1.3
113.00877	13.4
114.01013	0.9
115.02427	6.1
116.02528	2.3
118.01146	2.4
118.03528	0.9
119.01930	21.9
119.04909	0.9
120.02046	1.4
121.01659	1.4
122.97771	0.9
125.00841	1.7
126.93855	0.8
127.02421	4.7
127.03937	2.5
128.01961	1.1
128.98619	1.2
129.00160	0.8
129.04001	3.9
131.01913	35.8
132.02107	1.2
133.01585	0.9
133.03458	3.2
137.02948	1.8
138.53542	1.3
139.00763	0.9
139.02423	7.6
141.02835	1.2
141.03967	5.2
143.01881	6.3
144.02061	4.4
144.03305	0.9
145.03491	13.0
147.05098	1.2
149.00937	1.4
149.02985	3.2
154.03563	1.8
155.01894	3.5
157.01613	1.2
157.03476	30.5
157.04785	1.6
158.03595	1.6
158.99786	0.9
159.01395	1.1
159.05025	7.7
161.02974	6.8
162.03069	11.3
162.05449	2.0
162.09125	0.9
163.02707	1.9
163.04478	2.4
166.96802	0.9
167.01913	18.3
167.03490	1.5
168.02057	1.1
168.05080	1.6
171.01382	4.3
171.05014	1.3
173.02969	3.7
174.03102	1.1
175.02896	1.1
175.04552	3.5
180.05284	4.1
182.06570	1.1
184.04747	1.1
185.02982	100.0
185.04712	7.1
185.97467	1.8
186.03120	3.2
186.06155	0.9
190.03462	1.8
194.02977	1.0
199.04596	1.1
203.02295	2.5
203.04031	28.2
203.05669	1.2
204.04280	1.8
208.04541	22.2
209.02979	2.0
226.05647	3.1
227.04076	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1746
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.03941	2.6
55.05507	9.2
57.03437	2.7
57.07058	3.9
59.83347	2.1
67.05510	12.8
69.03426	2.6
69.07076	12.0
69.32648	14.0
71.04988	2.6
79.05493	11.7
81.07063	24.8
83.04970	6.2
83.08611	4.3
85.06540	5.9
85.34177	1.7
91.05483	19.6
93.07057	30.9
94.83724	1.6
95.04957	5.2
95.08617	35.2
97.06535	3.9
105.07034	29.6
107.08601	62.3
109.06509	6.1
109.10165	17.3
111.08070	2.9
115.96432	15.6
116.97216	6.6
117.07028	2.1
119.04945	3.9
119.06013	2.1
119.08593	44.0
121.06512	2.4
121.10137	10.2
123.08087	14.1
123.11730	9.2
131.08600	3.7
133.06511	2.8
133.10143	47.1
133.97458	4.2
135.11705	100.0
137.05939	2.0
137.09610	14.0
137.13254	3.3
143.08527	2.7
145.10132	4.8
147.04462	2.6
147.08060	2.1
147.11693	37.9
149.02325	3.0
149.09570	3.4
149.13289	10.0
151.03915	2.5
151.07486	2.3
151.11197	15.0
161.13257	8.9
163.03844	1.9
163.14862	15.8
165.05501	2.4
165.09140	1.6
165.12747	5.2
175.03857	3.7
189.12729	3.3
189.16396	78.6
192.09279	3.4
207.02916	1.8
207.06502	7.7
207.09772	2.9
207.11568	6.5
207.13818	8.7
207.17444	59.7
219.89972	2.1
224.29774	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1382
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.07857	1.3
53.03936	2.0
55.01874	2.6
55.05513	9.9
57.07077	3.6
65.03938	3.2
67.05514	33.1
67.14500	1.6
69.03432	3.5
69.07060	5.7
70.81902	3.2
71.05003	2.3
74.07721	1.5
79.05501	7.7
81.07050	8.8
81.34344	1.6
83.04993	4.1
85.06538	11.0
91.05487	24.8
93.07050	18.2
95.04967	6.8
95.08616	100.0
97.06509	1.8
103.05471	2.0
105.06400	2.5
105.07046	26.0
107.04955	1.6
107.08600	23.3
109.06525	7.3
109.10173	5.4
111.08065	1.7
113.06030	3.1
115.05463	2.4
117.07022	3.0
118.04176	2.7
119.04959	13.3
119.08591	33.1
120.09394	2.4
120.31522	1.8
121.06524	4.8
121.10149	19.8
123.08079	61.1
123.11713	7.4
129.07034	3.9
131.04927	2.0
131.08583	7.1
133.06508	3.5
133.10162	8.0
135.08081	2.8
135.11699	5.1
137.09619	5.7
139.07501	2.6
143.08589	1.8
147.04428	8.4
147.08031	7.2
147.11713	17.4
148.05237	2.6
149.02335	2.0
149.08426	2.6
149.09628	55.4
151.07549	2.3
151.11256	2.4
151.14871	4.4
156.09294	3.1
159.08058	3.8
159.11653	1.8
161.06009	27.7
161.08466	1.5
161.09590	10.2
161.13290	20.8
163.11205	2.7
165.09076	2.6
165.12753	12.6
171.11676	6.2
174.10426	3.8
175.03925	9.7
179.07103	2.0
189.09155	7.6
189.12764	24.4
192.04149	2.8
207.06543	7.1
207.10158	1.6
207.13828	41.1
208.11560	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	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03935	6.9
55.01890	3.6
55.05512	13.6
57.03423	3.1
57.07078	7.4
58.92033	1.5
59.05013	2.8
65.03943	7.7
67.05508	73.8
69.03432	100.0
69.06736	2.6
69.07075	37.6
69.18089	16.0
71.04994	5.3
77.03946	1.7
79.05496	35.0
81.03425	20.5
81.07061	35.3
83.04980	18.2
83.08619	3.9
85.02891	2.7
85.06530	3.4
91.05484	35.8
91.77381	1.6
93.07038	20.6
95.01324	1.8
95.04970	58.8
95.08613	24.4
97.06528	20.4
98.20790	3.3
103.05478	3.7
105.07037	40.6
106.84594	1.7
107.04964	10.0
107.08599	17.8
108.05707	2.0
109.06533	33.6
109.10166	8.8
110.07312	13.4
111.08070	24.3
115.05519	2.9
117.07019	3.6
118.04186	1.9
119.04957	19.9
119.08573	28.7
121.06528	8.6
121.10142	27.5
123.04432	98.7
123.08073	16.4
123.11694	2.3
131.08568	4.4
133.06538	12.3
133.10149	20.3
135.04459	1.7
135.08038	6.6
135.11673	4.3
136.05173	2.8
136.08864	1.6
137.05989	26.3
137.09647	9.4
143.08566	3.2
145.10109	13.2
146.03607	3.6
147.04443	14.6
147.08035	7.0
147.11679	17.6
149.02330	11.1
149.06004	2.6
149.09627	6.2
151.07539	11.8
156.09352	5.4
159.11653	3.0
161.05951	5.7
161.09647	3.4
161.13278	12.5
163.03938	3.0
163.11218	19.0
164.04713	12.7
165.12750	3.1
171.11699	6.3
174.03120	3.3
174.10370	1.9
175.03871	7.4
179.07002	13.2
179.14317	5.5
189.09094	3.9
189.12761	11.5
192.04192	6.1
207.06516	30.1
207.13809	93.2
208.14159	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1382
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03934	2.1
55.01858	2.5
55.05509	9.2
57.03419	5.4
57.07068	3.8
59.05009	6.5
64.82896	1.3
65.03947	7.1
67.05510	19.9
69.03438	10.6
69.07057	5.5
69.84021	2.9
69.84425	4.4
70.06618	1.8
71.04999	6.8
77.03921	1.4
79.05496	14.5
81.03426	7.0
81.07060	14.6
83.04984	7.1
85.02890	3.7
85.06553	6.2
89.03896	2.3
89.06036	1.3
91.05489	67.5
93.06510	1.4
93.07057	19.3
93.11723	1.4
95.04971	7.8
95.08616	69.1
97.06521	4.7
98.21432	1.5
103.05458	4.9
105.03397	2.9
105.07036	35.6
107.04942	5.9
107.08598	24.8
109.02912	1.9
109.06533	14.4
109.10131	5.4
111.08108	3.5
113.06038	2.8
115.05439	2.5
117.07012	3.2
118.04153	5.6
119.04955	47.4
119.08591	36.0
121.02890	2.0
121.06528	10.1
121.10156	21.5
123.04424	3.3
123.07209	2.8
123.08077	50.8
123.11705	6.2
125.05930	1.4
125.09641	1.8
128.06210	2.6
129.07001	3.6
131.04924	3.3
131.08557	10.2
132.02048	3.9
133.06499	10.9
133.10162	13.9
135.04440	3.3
135.08043	4.8
135.11696	4.3
136.05197	4.1
136.07649	1.4
137.06010	2.3
137.09642	9.8
137.13303	1.7
139.07504	1.4
143.08549	4.3
145.06500	2.3
145.10126	5.8
146.03606	6.4
146.07286	1.5
147.04437	33.4
147.08051	11.1
147.11708	24.4
148.05191	2.9
149.02322	6.6
149.09630	100.0
151.07521	8.7
151.11185	2.4
151.14798	2.0
156.09341	6.4
157.03992	4.1
157.06432	1.8
159.08098	2.7
160.05176	1.5
161.06001	36.7
161.09628	13.9
161.13257	22.6
162.05423	1.7
163.03951	1.8
163.07526	1.8
163.11189	8.6
164.04689	5.6
165.09152	2.7
165.12756	19.0
171.11681	10.4
171.78146	1.2
174.03140	5.9
174.06865	1.6
174.10402	6.3
175.03931	44.3
179.07048	8.7
179.14313	3.0
189.05475	5.9
189.09114	12.0
189.12761	37.9
192.04193	14.3
207.06525	37.2
207.10185	3.9
207.13809	75.0
208.14233	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1382
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03941	1.2
55.05518	4.3
56.61112	0.7
57.36792	0.6
59.04989	2.6
62.49682	0.7
67.05489	2.3
69.03434	6.7
69.07056	1.2
69.61555	5.0
71.04978	2.8
79.05495	4.8
81.07055	5.4
83.04961	3.3
91.05481	9.9
93.07050	5.6
95.04964	1.5
95.08624	4.6
97.06509	1.4
103.05459	1.5
105.07037	15.2
107.08589	10.2
109.06519	6.4
109.10155	2.1
111.08050	1.0
115.05478	0.9
117.06993	1.4
119.04935	7.2
119.08581	11.9
121.06508	11.9
121.10162	7.9
123.04440	1.1
123.08072	13.6
123.11678	2.9
130.03252	1.0
131.08572	2.7
133.06456	6.9
133.10159	4.0
135.08049	2.9
137.09605	5.5
143.08568	1.7
145.10115	2.3
147.04433	3.7
147.08032	4.1
147.11696	9.7
149.02377	1.1
149.09627	100.0
150.09998	1.8
150.55884	0.8
151.07527	3.3
151.11208	1.0
156.09329	3.1
159.08029	1.2
161.05971	6.3
161.09612	3.2
161.13271	8.3
163.11186	12.0
165.12761	6.6
171.11668	5.9
174.10349	3.8
175.03879	2.9
179.07069	1.1
189.09128	2.5
189.12750	25.4
192.04233	0.9
207.06522	3.5
207.13808	60.0
208.11481	2.1
208.14046	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
52.38593	1.2
53.03947	8.5
55.01875	2.8
55.05521	6.8
60.75442	1.0
65.03923	1.9
67.05189	1.8
67.05515	23.9
69.07077	7.1
70.68827	2.3
71.04995	3.7
76.23885	1.1
77.03951	1.3
79.05502	41.6
81.03426	1.9
81.07067	24.3
83.05013	2.2
83.08621	3.3
85.02903	2.0
85.06533	3.5
91.04914	2.4
91.05492	61.9
93.07054	100.0
95.04976	9.6
95.08617	10.2
97.06520	2.1
103.39886	1.1
105.04510	3.9
105.07044	29.1
107.08612	11.6
109.06523	5.1
109.10170	2.5
115.05506	1.5
115.96471	6.9
116.97242	2.9
117.07019	5.1
119.04967	6.1
119.08600	22.3
121.06513	3.9
121.10137	4.8
123.08083	6.9
123.11697	1.3
127.07474	1.3
128.65677	1.2
129.07021	8.8
131.08575	1.7
133.06496	1.9
133.10153	7.1
133.97444	2.9
135.11765	1.4
136.05232	1.3
137.09624	1.5
143.08563	4.7
145.10115	8.0
147.04408	10.5
147.08049	1.5
147.11703	59.7
149.02386	2.7
149.06000	1.6
149.09616	2.2
151.07520	2.6
161.09639	4.0
161.13274	7.6
164.04723	2.8
165.12733	1.8
171.11687	18.6
174.03210	1.2
175.03955	4.3
177.26379	1.1
179.07024	3.6
189.05438	1.8
189.12758	13.3
192.04179	2.0
207.02907	1.9
207.06479	10.8
207.09627	1.9
207.11786	1.6
207.13806	20.7
217.57294	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.1
55.01858	2.5
55.05509	9.2
57.03419	5.4
57.07068	3.8
59.05009	6.5
64.82896	1.3
65.03947	7.1
67.05510	19.9
69.03438	10.6
69.07057	5.5
69.84021	2.9
69.84425	4.4
70.06618	1.8
71.04999	6.8
77.03921	1.4
79.05496	14.5
81.03426	7.0
81.07060	14.6
83.04984	7.1
85.02890	3.7
85.06553	6.2
89.03896	2.3
89.06036	1.3
91.05489	67.5
93.06510	1.4
93.07057	19.3
93.11723	1.4
95.04971	7.8
95.08616	69.1
97.06521	4.7
98.21432	1.5
103.05458	4.9
105.03397	2.9
105.07036	35.6
107.04942	5.9
107.08598	24.8
109.02912	1.9
109.06533	14.4
109.10131	5.4
111.08108	3.5
113.06038	2.8
115.05439	2.5
117.07012	3.2
118.04153	5.6
119.04955	47.4
119.08591	36.0
121.02890	2.0
121.06528	10.1
121.10156	21.5
123.04424	3.3
123.07209	2.8
123.08077	50.8
123.11705	6.2
125.05930	1.4
125.09641	1.8
128.06210	2.6
129.07001	3.6
131.04924	3.3
131.08557	10.2
132.02048	3.9
133.06499	10.9
133.10162	13.9
135.04440	3.3
135.08043	4.8
135.11696	4.3
136.05197	4.1
136.07649	1.4
137.06010	2.3
137.09642	9.8
137.13303	1.7
139.07504	1.4
143.08549	4.3
145.06500	2.3
145.10126	5.8
146.03606	6.4
146.07286	1.5
147.04437	33.4
147.08051	11.1
147.11708	24.4
148.05191	2.9
149.02322	6.6
149.09630	100.0
151.07521	8.7
151.11185	2.4
151.14798	2.0
156.09341	6.4
157.03992	4.1
157.06432	1.8
159.08098	2.7
160.05176	1.5
161.06001	36.7
161.09628	13.9
161.13257	22.6
162.05423	1.7
163.03951	1.8
163.07526	1.8
163.11189	8.6
164.04689	5.6
165.09152	2.7
165.12756	19.0
171.11681	10.4
171.78146	1.2
174.03140	5.9
174.06865	1.6
174.10402	6.3
175.03931	44.3
179.07048	8.7
179.14313	3.0
189.05475	5.9
189.09114	12.0
189.12761	37.9
192.04193	14.3
207.06525	37.2
207.10185	3.9
207.13809	75.0
208.14233	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1382
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02366	1.7
53.03946	8.5
55.01869	1.6
55.05514	9.1
57.07082	1.2
59.05009	1.2
65.03925	1.6
67.05509	28.2
69.03421	2.4
69.07066	7.1
71.04995	4.2
71.48624	1.5
73.06567	1.2
77.03948	1.8
77.66283	1.1
77.68090	1.3
79.05495	49.8
79.14998	1.0
80.94952	1.7
81.03413	1.3
81.06591	1.6
81.07063	22.3
82.94883	1.1
83.04971	3.9
83.08629	2.7
85.02930	2.1
85.06522	1.9
86.91544	1.0
87.04459	1.0
89.03991	1.2
91.05486	58.7
92.05798	1.1
93.07049	100.0
95.04971	13.4
95.08616	12.5
97.10149	1.5
98.01730	1.1
103.01832	3.4
103.05464	2.2
105.04530	3.9
105.07037	31.3
107.05002	1.3
107.08594	14.3
109.06528	6.3
109.10157	3.7
115.96459	7.0
116.97224	2.6
117.07009	5.2
117.77151	1.0
119.04977	8.8
119.08588	28.1
121.01662	1.2
121.06513	3.4
121.10136	3.7
123.08075	6.7
123.11722	1.3
127.07594	1.5
128.06210	2.6
129.07007	9.2
131.08546	3.0
133.06508	2.2
133.10133	7.4
133.97501	2.8
135.04425	5.3
135.11700	1.3
136.05174	1.5
137.09569	2.2
143.08543	5.6
145.10129	9.8
146.03583	1.5
147.03371	1.1
147.04343	5.5
147.08098	3.2
147.11697	64.1
149.02357	1.9
149.09622	3.1
151.07564	2.9
153.05493	1.3
156.09387	1.6
161.09622	4.5
161.13280	9.8
163.03906	31.7
163.05080	3.1
163.11188	1.4
164.04720	2.6
165.01913	1.2
165.09187	1.4
165.12766	1.9
171.11679	20.3
174.03183	1.5
175.03857	2.5
179.07057	3.5
179.16243	1.6
189.12756	13.5
192.04179	3.4
207.02885	2.5
207.06509	27.0
207.09689	1.5
207.11650	4.2
207.13783	26.8
207.17488	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	206.0814
Annotation	Doryphornine
Peak:m/z	Relative Intensity
50.61944	0.4
53.03950	0.9
54.03473	0.8
55.01880	1.0
56.05030	0.4
56.78074	0.4
57.07075	0.6
65.03937	2.7
67.01875	0.6
67.05507	23.7
68.05029	0.5
69.03438	0.7
69.07079	1.7
71.22839	0.8
72.04523	0.5
74.00672	2.8
77.03889	0.4
79.05495	4.9
80.05032	1.0
81.03439	1.2
81.07068	3.1
82.02936	3.4
82.06604	1.1
83.76469	0.4
84.04510	2.3
87.00873	0.5
89.03941	0.5
91.05483	8.6
93.05811	1.5
93.07059	1.4
94.06586	2.0
95.04978	14.0
95.05579	0.9
95.08613	1.3
96.04494	4.6
96.05759	1.5
102.98535	0.6
103.05475	1.7
105.04572	0.5
105.07030	3.0
106.06580	1.2
106.07372	0.6
107.04984	1.7
107.07348	4.6
107.08603	0.8
108.05294	1.5
108.08124	18.4
110.02419	0.5
110.06046	7.5
115.05493	1.2
116.05834	3.7
117.05773	1.3
118.06532	2.3
119.04945	6.9
119.06853	0.8
119.08591	0.8
120.01170	0.9
120.08110	10.2
120.99593	2.0
122.06034	2.7
122.06796	0.6
122.09668	7.3
123.04422	0.7
123.08076	0.8
125.05986	0.8
131.04926	1.5
132.05283	4.8
132.08069	1.6
133.06517	0.7
134.06024	1.2
134.06894	0.5
135.04407	0.8
135.06787	2.1
136.04810	0.6
136.07526	0.5
144.05316	2.6
146.06033	2.5
147.04425	4.8
147.06366	1.5
148.07588	1.0
149.02354	1.7
150.02768	1.0
150.09145	34.1
151.09531	0.6
157.04047	0.9
160.00612	0.6
160.04736	2.0
160.07547	0.8
161.05998	1.0
162.06375	0.9
163.03920	1.7
164.04224	4.5
175.03908	4.6
178.08636	100.0
179.07010	0.8
179.08939	1.5
188.00293	0.5
188.04298	7.7
188.07077	1.2
189.05710	0.5
189.07399	2.3
192.04164	1.9
206.08127	62.7
206.15482	1.3
207.06520	3.6
207.08362	1.1
207.13730	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.045
Annotation	6-Hydroxykynurenate
Peak:m/z	Relative Intensity
55.93510	0.2
56.34707	0.2
56.96572	0.4
70.54047	0.2
70.92757	0.5
72.08130	0.2
72.67319	0.2
74.00676	0.3
84.08156	0.3
94.54017	0.2
104.05003	0.7
104.25138	0.2
105.03407	1.2
109.61194	0.2
116.46301	0.3
120.52487	0.2
128.77599	0.3
132.04459	3.9
133.02855	0.4
150.02640	0.4
150.05510	1.5
160.03920	2.4
178.05003	100.0
179.05359	0.8
189.07323	0.3
206.04495	39.3
207.04842	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1952
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
51.46743	0.7
51.85298	0.7
53.03948	1.4
55.05510	6.4
57.07077	13.3
60.04528	2.9
60.10140	0.8
65.03941	6.6
66.35706	0.9
67.05508	7.2
69.03423	1.3
69.07072	12.3
69.41158	6.4
72.08154	1.7
72.12318	0.8
72.93778	2.3
79.05511	7.9
81.03425	2.3
81.07059	30.7
82.07374	0.8
83.08614	2.8
85.02909	1.5
91.05470	6.8
93.03415	1.5
93.07051	30.9
95.08613	16.9
97.02893	5.2
97.04922	1.2
97.10169	3.3
98.03178	1.0
105.07042	4.6
107.04997	1.0
107.08605	18.8
108.04562	1.3
109.02876	1.9
109.06526	1.1
109.10174	12.4
111.04548	1.1
111.11715	1.0
113.96406	5.6
115.05419	1.8
117.07026	1.7
118.71585	0.9
119.08591	2.0
121.02876	12.5
121.03976	2.7
121.06500	1.8
121.10153	61.7
123.11711	6.0
127.05886	1.5
131.04959	2.9
131.97456	3.8
133.10080	1.2
135.11700	11.3
145.10161	3.0
149.02353	100.0
149.13268	21.3
150.02629	1.3
159.04373	2.0
159.11670	1.1
163.03928	1.5
163.11180	1.5
163.14845	1.8
167.03355	1.2
177.12770	1.0
178.05026	0.8
187.03960	3.8
187.14853	1.0
190.05023	1.1
205.04964	1.8
205.08574	1.1
205.12262	2.6
205.14188	3.6
205.15805	4.5
205.19525	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	205.1952
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03939	2.0
55.05514	16.0
57.07077	17.1
60.04518	2.4
60.68711	1.0
65.03939	7.7
67.05511	15.2
69.03408	1.2
69.07070	22.4
69.62199	6.9
71.08621	3.0
72.93781	1.8
79.05500	14.2
81.03406	2.4
81.07058	50.6
83.01236	1.1
83.08613	9.8
85.02908	1.7
91.05486	7.5
93.03419	1.2
93.07045	52.7
95.04995	1.2
95.08613	35.3
96.08939	1.2
97.02892	4.9
97.10186	6.5
97.77599	1.1
99.21141	1.0
105.07066	7.1
107.04987	1.6
107.08598	46.0
108.08922	1.0
109.02891	1.9
109.06555	1.0
109.10158	34.0
111.11703	2.0
112.90639	1.1
113.96404	4.7
115.05463	3.2
117.07084	1.1
119.08563	2.5
121.02865	13.8
121.04008	2.6
121.06503	1.6
121.10148	79.8
123.07986	1.0
123.11711	17.4
127.03915	1.4
131.04907	4.8
131.08575	1.4
131.97423	2.2
133.10158	1.5
135.11693	30.9
137.13319	1.5
143.04916	2.0
145.10149	2.9
147.11630	1.5
149.02350	100.0
149.13261	50.3
150.02667	1.3
159.04364	1.2
159.11661	1.1
163.03874	3.7
163.14862	5.8
173.66707	1.1
177.12701	2.0
185.98347	1.1
187.03909	5.5
195.19232	1.2
195.79309	0.9
205.12347	1.4
205.14162	3.5
205.15916	3.2
205.19521	29.2
205.21460	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1953
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03945	0.9
55.01846	0.6
55.05515	3.6
56.96583	0.4
57.07083	8.7
59.56157	0.4
60.04510	0.6
61.85147	0.4
62.83820	0.4
65.03944	5.9
67.05508	2.9
69.03416	1.0
69.07066	5.6
69.16311	0.8
69.16715	3.4
70.08518	0.4
72.08148	0.4
72.93787	0.5
76.56113	0.4
79.05502	3.0
80.02658	0.4
81.03409	0.9
81.07064	12.3
83.08639	2.8
85.02889	0.4
91.05469	2.1
93.03428	2.0
93.07053	11.8
93.07639	0.7
94.07388	0.4
95.08609	7.8
97.02885	1.7
97.10153	1.7
105.07035	2.2
107.04971	0.8
107.08601	11.5
109.02904	0.8
109.10169	7.1
110.47058	0.4
111.04461	0.8
111.11749	0.8
113.96403	1.1
115.05414	0.7
118.56480	0.4
119.08574	0.6
121.02869	12.4
121.03973	3.4
121.06541	0.4
121.10155	19.5
123.11710	4.1
127.03943	0.5
131.04942	1.4
131.08604	0.7
131.97499	0.5
135.08102	0.5
135.11705	8.0
137.13298	0.5
143.04939	0.7
145.10098	1.1
149.02353	100.0
149.13274	14.1
149.14175	0.3
150.02696	1.7
159.04384	0.6
159.08131	0.4
163.03926	0.8
163.14851	1.6
167.03381	1.0
187.03914	1.4
187.14883	0.9
191.14316	2.6
205.04881	0.6
205.12236	1.2
205.14178	1.5
205.15938	2.3
205.19562	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	205.1589
Annotation	Khusimone
Peak:m/z	Relative Intensity
53.03926	2.3
55.01862	2.4
55.05518	7.3
56.50212	1.5
56.61238	1.4
56.96547	2.0
57.07077	18.5
59.43798	1.4
60.04519	4.7
61.02895	1.6
61.04853	3.5
65.03936	8.7
67.05516	15.1
69.03436	7.7
69.07071	11.6
71.04987	1.9
71.48080	2.1
72.08134	3.5
72.93803	1.9
73.90696	1.5
79.05495	15.7
81.03421	8.9
81.07060	55.5
83.04981	19.7
83.08598	2.5
84.04496	2.4
85.02895	5.2
91.05494	20.3
93.03378	2.9
93.07050	21.4
95.04966	7.3
95.08614	28.5
96.04507	1.8
97.02385	1.9
97.02904	19.5
97.06488	1.8
97.10149	2.0
98.03214	2.7
99.04453	1.9
103.05471	4.3
105.07037	55.8
107.04968	16.7
107.08611	21.3
107.18057	1.6
109.02859	6.7
109.06499	3.1
109.10159	7.1
111.04447	1.8
111.08113	1.9
112.80408	1.4
113.96429	1.9
115.05419	12.8
116.06248	1.8
117.07036	12.6
119.08592	40.8
121.02857	14.0
121.03970	3.6
121.06516	9.8
121.10158	16.6
123.08089	3.7
123.11717	40.5
127.03880	3.7
127.05833	2.9
128.06180	2.1
129.07018	2.6
130.07755	4.2
131.04926	20.3
131.07620	2.6
131.08577	35.1
133.06490	5.2
133.10141	29.2
135.04404	4.7
135.08032	4.6
135.11676	7.9
143.04927	8.1
143.08566	6.1
144.09320	3.2
145.06517	4.6
145.10130	64.5
146.05963	2.0
147.08012	1.9
147.11690	14.9
149.02354	100.0
149.09636	2.0
149.13242	4.8
150.02713	1.8
158.10866	6.5
159.04427	6.9
159.07994	1.9
159.11703	16.1
161.06035	2.7
161.13280	4.0
163.03908	18.6
163.07494	2.2
163.11147	4.5
169.10178	3.6
173.05925	1.9
173.13271	20.8
175.14835	43.1
177.05449	4.9
177.12766	9.2
177.16373	9.3
187.03917	24.3
187.07497	2.8
187.11188	8.4
187.14835	29.4
190.11755	2.2
205.05231	10.6
205.08734	5.7
205.12444	15.0
205.14175	8.0
205.15884	58.3
205.19563	2.3
206.08023	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1225
Annotation	Butyl cinnamate
Peak:m/z	Relative Intensity
51.02381	0.6
51.90963	0.4
53.03949	3.8
55.01870	2.0
55.05518	0.5
57.03436	0.6
57.07079	2.3
59.05032	0.5
60.04532	0.7
61.60151	0.5
65.03936	2.0
67.05500	1.0
68.34991	0.5
68.99797	0.5
69.03420	2.3
69.07074	0.5
71.04991	0.5
71.48512	0.4
71.48903	0.7
72.08157	2.1
77.03931	1.0
79.05490	1.3
81.03413	2.0
81.07053	1.3
83.04967	1.8
84.04471	0.6
84.08145	0.6
85.02914	2.8
85.06535	1.1
89.03931	0.6
91.04908	0.8
91.05483	19.4
93.07046	59.8
94.63019	0.4
95.04972	4.4
95.08612	0.8
97.02884	3.0
99.04462	0.9
99.08099	0.7
103.05483	5.8
105.04524	1.9
105.07040	5.8
107.04963	10.3
107.08602	1.8
109.02888	1.4
110.07118	0.5
115.05459	17.6
117.07022	2.9
118.06536	2.2
119.08581	2.1
119.97890	0.5
120.08117	2.4
121.02885	2.3
121.06509	100.0
121.10155	1.2
122.06820	1.1
122.94216	0.5
123.04451	0.7
129.07060	0.7
131.04933	27.2
131.08577	2.3
132.08087	0.8
133.06491	4.7
133.10124	0.8
135.04419	5.2
135.08031	1.1
135.11697	0.7
136.07561	1.0
141.06943	0.6
143.04927	10.2
144.08124	1.0
144.09218	1.1
145.03940	0.8
145.06473	2.3
145.10147	2.5
146.02621	0.6
146.06012	5.0
147.04378	0.8
147.08047	1.6
149.02356	18.2
149.05986	2.0
155.06120	0.5
159.04427	12.0
159.08052	1.1
159.09195	0.6
159.11685	4.2
161.05997	3.7
161.09657	0.7
163.03908	21.5
163.07491	0.9
163.11159	1.8
163.96880	0.5
170.05966	0.6
172.56300	0.8
173.06012	0.8
177.05458	1.4
177.09123	1.1
177.12726	2.2
181.97769	0.5
187.03912	28.4
187.07550	1.3
187.11136	1.4
188.07098	4.6
205.03351	0.4
205.04973	6.2
205.08360	2.9
205.12256	15.3
205.14163	1.1
205.15919	1.5
206.08134	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0496
Annotation	1,2-Dihydroxy-8-carboxynaphthalene
Peak:m/z	Relative Intensity
51.25410	0.7
53.03939	1.2
55.01849	0.6
57.07065	2.3
63.02393	0.6
65.03931	1.7
69.34451	5.3
72.93772	0.8
79.05492	2.1
89.03905	1.3
89.96065	0.6
91.05499	1.0
93.07013	0.9
97.02890	1.3
98.20705	1.0
103.05479	4.3
105.07036	9.6
106.11104	0.7
107.04964	29.4
107.08642	0.7
113.96365	1.0
115.05460	54.0
121.02876	2.1
121.03944	0.7
121.06487	0.8
121.10149	1.0
131.04936	77.5
131.97421	1.1
132.05237	0.7
133.06500	11.6
135.04422	12.9
143.04935	33.1
144.05196	0.9
145.03979	3.5
149.02351	18.8
149.03519	1.2
159.04424	24.7
159.11783	0.7
161.05998	8.4
163.03918	70.6
186.94455	0.7
187.03918	100.0
188.04286	1.5
205.04976	2.5
205.08673	1.0
205.12225	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0498
Annotation	1,4-Dihydroxy-2-naphthoate
Peak:m/z	Relative Intensity
51.42498	0.8
53.03952	1.6
57.07063	1.2
57.50560	0.9
65.03936	1.2
70.42908	1.3
70.43262	2.0
76.31013	0.7
77.03960	0.7
79.05502	2.0
81.03425	1.1
86.81406	0.9
89.03929	1.5
91.05467	2.3
92.45721	0.9
93.07056	1.4
94.81215	0.8
103.05470	4.2
105.07043	11.4
107.04218	1.4
107.04959	28.2
107.08594	1.2
115.05461	51.4
117.07027	1.0
119.08595	1.6
121.06490	2.2
121.10165	1.0
127.03997	0.9
129.07030	1.1
131.04936	69.8
133.06517	10.3
133.10152	1.1
135.04433	14.3
137.92932	0.9
143.04933	34.3
145.04002	1.9
145.06477	1.8
145.10149	2.9
146.06062	1.5
147.04416	1.0
147.11691	1.0
149.02325	7.5
159.04430	25.8
159.11719	1.4
161.05977	10.6
163.03917	67.0
163.11212	0.9
173.06062	1.2
185.13536	0.8
187.03912	100.0
188.04216	1.1
205.04982	3.3
205.06813	1.0
205.08527	1.6
205.12332	2.0
205.15895	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	205.0496
Annotation	1,2-Dihydroxy-8-carboxynaphthalene
Peak:m/z	Relative Intensity
50.92863	0.7
53.03948	1.7
62.96851	0.9
70.68828	0.9
70.69147	2.1
77.03945	1.0
79.05489	2.4
86.89057	0.8
89.03936	1.2
95.04969	1.1
103.05465	4.4
105.07051	12.6
107.04225	1.1
107.04961	31.4
115.05463	59.0
131.04938	90.2
132.05255	1.0
133.06516	9.4
135.04428	15.7
143.03780	2.0
143.04929	32.3
145.03964	3.9
157.45576	0.9
159.03094	1.0
159.04433	25.4
161.05975	9.5
163.03912	69.1
187.03917	100.0
187.52727	0.9
188.04213	0.8
205.04955	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0498
Annotation	1,4-Dihydroxy-2-naphthoate
Peak:m/z	Relative Intensity
51.02384	0.4
53.03952	0.5
55.01881	0.5
62.10138	0.4
65.02818	0.4
65.03946	0.7
68.51798	0.4
69.39310	1.7
69.39731	1.6
70.76221	0.4
77.03930	0.6
79.05508	2.3
81.42863	0.5
89.03933	1.0
96.37748	0.4
98.20874	0.8
103.05479	3.7
105.04556	0.5
105.07034	9.1
107.04963	27.9
107.50549	0.4
115.05463	51.0
131.04936	69.1
132.05569	0.5
133.06500	10.8
135.03410	0.8
135.04419	12.8
143.04929	33.9
145.03983	3.0
159.04427	23.7
161.05986	9.0
163.03914	64.0
164.04318	0.5
179.97285	0.4
187.03914	100.0
188.04266	1.3
205.04994	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.5
55.01899	1.6
55.05517	5.8
56.05059	1.0
57.02328	0.5
57.03457	0.8
58.99590	6.6
60.04529	27.4
61.02956	1.8
64.95424	0.5
65.03957	0.6
67.05537	0.4
68.05032	6.1
69.03459	1.6
69.07073	0.7
69.58040	2.3
70.06613	1.1
71.01369	0.7
71.05032	0.5
72.04533	1.2
73.02922	0.7
76.02235	5.2
79.05550	0.5
81.03443	1.2
81.07038	0.5
83.05008	0.7
83.08622	4.4
84.04512	8.3
84.04980	0.8
84.08162	2.8
85.01135	9.0
85.01597	0.7
85.02901	5.6
86.09735	1.1
86.99055	7.8
86.99572	0.4
87.04535	0.4
88.04008	1.0
89.00645	0.7
91.05521	1.9
92.97130	0.4
96.04498	11.2
97.02897	10.3
98.06072	2.2
99.04469	1.2
100.04039	0.6
102.03769	16.7
103.05481	1.7
105.00092	6.1
105.07053	1.4
107.04939	2.8
107.25101	0.4
109.02893	1.4
110.06050	2.4
110.07240	0.5
114.05529	7.1
115.05469	4.2
118.06580	0.6
119.05000	0.5
120.04790	0.9
120.08107	1.9
121.02858	0.4
121.06554	0.7
124.03954	0.4
126.05523	8.6
127.03923	1.4
128.20351	0.5
129.10239	0.7
130.08679	0.7
131.01639	13.7
131.04930	8.0
132.04349	0.5
132.05341	0.4
133.06447	1.0
135.04439	1.6
136.07578	1.3
138.05545	2.4
139.08623	0.7
141.84500	0.5
143.04968	2.7
144.06575	1.1
145.04965	1.0
146.06013	1.4
147.04451	1.0
148.04272	100.0
149.02327	2.9
149.04776	0.4
149.05994	0.7
154.48587	0.4
156.06554	1.1
158.10071	1.0
159.04431	3.8
159.08009	0.5
161.05962	2.0
163.03908	5.6
168.06538	2.6
176.04570	1.0
176.06990	1.0
177.05479	2.6
186.06006	0.6
186.07695	1.0
187.03929	8.3
187.07581	0.6
188.07025	1.4
188.10677	1.2
189.11449	1.9
204.03912	2.9
204.06586	1.9
204.08627	8.5
204.10493	34.8
204.13728	12.9
205.05014	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	203.0526
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06615	2.1
70.16852	5.1
70.17273	3.0
77.53112	1.6
101.00888	6.0
116.07132	2.0
119.01915	7.3
143.01941	8.6
161.02963	8.4
185.03011	2.3
203.05281	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	203.1797
Annotation	(+)-alpha-Curcumene
Peak:m/z	Relative Intensity
53.03944	1.1
55.05502	3.8
56.18780	0.6
57.07097	1.4
60.04535	4.9
60.23395	0.7
65.03914	1.2
67.05504	7.9
68.05015	1.3
69.07072	9.7
70.06584	0.8
71.49108	1.0
79.05491	5.2
81.07063	18.2
83.08621	2.1
84.04508	3.2
91.05490	20.7
93.07053	8.2
95.08616	17.6
96.04492	2.6
97.02894	2.5
98.06042	1.1
103.05500	3.8
105.07038	28.7
107.08593	10.6
109.06532	0.7
109.10168	11.5
114.05502	1.4
117.07009	2.2
119.04974	5.5
119.08591	24.0
120.96494	0.9
121.10151	8.5
123.11724	2.4
126.05503	2.0
127.60326	0.7
131.04932	13.7
131.08601	3.4
132.27972	0.9
133.10139	22.9
135.11699	2.1
145.10139	6.2
147.04424	43.8
147.11696	38.3
148.04648	0.7
157.10110	1.2
159.04434	10.1
159.11717	3.0
160.12456	3.8
161.13275	15.8
175.03891	6.6
175.14841	3.1
186.07750	0.7
203.03407	100.0
203.14307	3.1
203.17967	48.2
204.03725	2.7
204.08646	1.4
204.13847	3.3
204.18262	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.034
Annotation	Xanthotoxol
Peak:m/z	Relative Intensity
51.02396	0.3
53.03951	0.6
56.65798	0.3
57.79302	0.3
65.03938	0.5
67.05489	0.4
69.85850	0.3
70.18557	0.5
70.18963	1.1
81.07052	0.4
84.47414	0.4
84.47918	0.3
89.81205	0.3
91.05489	9.7
95.08575	0.3
101.61061	0.3
102.04625	0.3
103.05463	2.5
119.04945	4.9
119.08582	0.5
131.04933	12.4
147.04417	38.5
159.04436	8.6
161.74788	0.3
175.03944	2.8
203.03403	100.0
203.17990	0.5
204.03725	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.034
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86346	0.3
53.03948	0.5
53.71183	0.4
54.93621	0.3
57.07093	0.6
60.19358	0.4
62.06099	0.4
65.03933	0.4
67.05513	0.8
68.03725	0.3
68.99821	0.4
69.07081	0.4
70.73319	0.9
74.99228	0.3
79.05491	0.6
81.07057	0.9
91.05488	16.8
93.07063	1.0
95.08606	1.9
103.05481	4.4
105.07033	2.9
107.08585	0.9
109.10149	0.9
119.04944	9.2
119.08585	1.4
121.10153	0.7
123.11748	0.4
131.04939	15.4
133.10158	1.7
145.10080	0.6
147.04419	46.8
147.11678	2.3
148.04823	0.6
148.86635	0.3
157.10146	0.5
159.04434	11.3
161.13272	0.8
175.03918	13.2
175.07475	0.6
202.21651	1.9
203.03407	100.0
203.14345	0.6
203.18010	3.3
203.22009	1.3
204.03729	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.034
Annotation	Xanthotoxol
Peak:m/z	Relative Intensity
53.03955	0.3
59.96910	0.3
65.03938	0.4
69.35531	2.3
69.35933	0.7
71.71078	0.3
72.39596	0.3
81.07021	0.4
88.12323	0.3
90.11442	0.3
90.84244	0.3
91.05482	8.2
91.06030	0.6
103.05471	2.3
105.07037	0.6
107.08611	0.3
119.04955	3.3
119.08635	0.7
129.03354	1.6
131.04938	12.5
133.10077	0.4
143.08560	0.5
145.10071	0.4
147.04417	48.4
147.11658	0.3
148.04724	0.4
157.02817	0.4
159.04414	5.7
160.05132	0.4
175.03917	9.8
203.03403	100.0
203.14268	0.8
204.03836	1.7
214.47398	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0339
Annotation	Xanthotoxol
Peak:m/z	Relative Intensity
53.03957	0.4
60.04530	0.3
62.55793	0.3
65.03951	0.7
67.05504	0.6
70.61241	0.6
70.61581	0.2
81.07069	0.9
91.05483	14.4
92.05843	0.3
93.07033	0.3
95.04998	0.5
95.08612	1.0
96.04505	0.3
103.05482	3.2
105.03398	0.3
105.07047	1.3
107.08608	0.8
109.10121	0.5
115.05480	0.3
119.04948	6.9
119.08588	1.3
121.10149	0.8
128.06215	0.9
129.07039	0.3
131.04927	13.2
131.08473	0.3
133.10124	1.0
143.08583	0.9
144.21700	0.3
145.10127	0.7
147.04414	41.6
147.11685	1.0
148.04713	0.5
157.10107	0.5
159.04420	9.6
159.11761	0.3
160.05171	0.3
161.09679	0.3
171.08112	0.4
175.03925	7.2
175.07507	0.8
185.13194	0.3
188.04657	0.3
188.08363	0.5
203.03395	100.0
203.10689	1.9
203.14261	0.7
203.17934	1.6
204.03743	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0339
Annotation	Xanthotoxol
Peak:m/z	Relative Intensity
50.63871	0.3
53.03947	0.3
54.78017	0.3
55.26947	0.5
57.07080	0.5
62.06075	0.5
65.03949	0.6
67.05523	0.4
70.13023	1.3
72.13219	0.3
78.31716	0.3
79.05482	0.4
81.07074	0.8
91.05486	15.3
93.07050	0.5
95.04984	0.5
95.08630	1.8
96.92207	0.3
103.05478	3.6
105.07053	1.2
107.08582	0.4
108.75601	0.3
109.10198	0.9
119.04950	7.5
119.08598	1.0
131.04941	16.7
133.10114	0.7
147.04419	47.6
147.11682	1.6
148.04817	0.4
154.30716	0.3
159.04419	12.7
175.03922	8.9
202.21655	1.5
203.03403	100.0
203.17950	2.3
203.22078	0.7
204.03775	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.034
Annotation	6-Hydroxyangelicin
Peak:m/z	Relative Intensity
50.58529	0.3
51.02380	0.3
51.83989	0.2
53.03950	0.6
65.03954	0.5
71.13322	0.5
77.03946	0.4
91.05490	12.0
95.04989	0.4
103.05479	3.6
119.04954	5.6
131.04941	15.1
147.04424	45.8
148.04774	0.6
151.08398	0.3
157.03026	0.3
159.03072	0.5
159.04427	12.9
175.03926	5.1
203.03410	100.0
204.03677	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.034
Annotation	Xanthotoxol
Peak:m/z	Relative Intensity
53.03954	0.4
57.86475	0.1
60.11805	0.1
63.02383	0.1
65.03945	0.6
67.05492	0.1
68.99822	0.1
69.07091	0.1
77.03918	0.3
81.07046	0.1
91.05487	13.4
93.07046	0.2
95.04984	0.3
95.08624	0.3
98.21560	0.2
102.04707	0.2
103.05473	3.5
105.04523	0.2
105.07051	0.4
108.10425	0.1
119.04951	6.6
119.08589	0.3
124.90691	0.1
131.04936	16.4
132.05240	0.3
133.10136	0.2
142.07857	0.1
147.04419	47.8
147.11644	0.3
148.04765	0.6
159.04425	13.3
160.04831	0.2
161.09602	0.1
161.13211	0.2
175.03918	5.6
203.03406	100.0
203.17996	0.3
204.03734	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.034
Annotation	Xanthotoxol
Peak:m/z	Relative Intensity
53.03947	0.5
59.70090	0.3
65.03951	0.4
66.86258	0.3
70.86519	0.5
70.86864	0.4
81.07040	0.4
91.05491	11.6
95.04989	0.6
95.08589	0.5
96.95135	0.3
103.05490	3.3
105.07051	0.5
109.10178	0.5
112.38940	0.3
119.04984	5.0
119.08585	0.5
131.03926	0.4
131.04938	14.8
147.04420	43.8
147.11656	0.6
148.04709	0.5
153.85448	0.3
159.04428	10.6
163.71027	0.3
165.74374	0.3
175.03922	5.5
203.03401	100.0
203.17915	0.7
204.03737	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0341
Annotation	Xanthotoxol
Peak:m/z	Relative Intensity
51.02397	0.4
53.03954	0.4
62.84731	0.2
65.03925	0.3
66.97465	0.2
70.60773	0.6
83.85802	0.2
91.05485	11.0
92.05798	0.2
95.04977	0.3
102.04719	0.3
103.05473	3.9
105.04521	0.2
106.26264	0.2
119.04960	4.7
131.04935	15.2
132.05255	0.3
147.04416	43.5
148.04732	0.3
159.04422	11.7
167.98598	0.3
175.03925	3.8
203.03398	100.0
204.03752	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.0898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.3
55.01857	0.8
55.05305	0.7
55.05519	7.4
56.05041	18.7
56.84686	0.6
57.98826	0.8
58.20210	0.6
58.99592	31.4
65.03943	0.9
67.05535	1.0
68.05039	1.7
69.07085	0.8
70.02969	1.0
70.06595	1.9
71.24310	1.4
72.08175	1.0
73.02888	0.8
74.00673	2.0
74.02421	0.8
76.02235	7.0
79.05499	35.2
80.05020	1.6
80.06267	0.8
81.06591	1.3
81.07063	21.2
82.06586	9.6
84.08160	1.2
85.01136	100.0
86.00666	15.2
86.09734	1.0
86.99059	17.8
87.02682	0.9
88.02229	3.4
88.04008	3.2
89.03915	1.6
90.04682	3.2
91.05457	1.5
93.07077	0.9
94.06565	1.1
95.04992	1.5
96.08156	2.3
97.01102	0.9
97.08922	6.5
98.09702	31.2
100.02203	1.0
105.00107	7.0
105.07021	1.5
109.08945	1.0
110.09683	2.8
113.04242	42.8
116.08591	0.6
118.04171	8.8
120.01199	1.5
122.09682	1.8
130.08942	0.6
131.01611	1.8
131.04980	3.5
132.01160	12.4
132.08966	0.8
139.05740	1.2
142.06583	0.9
143.07307	1.3
144.04462	1.0
146.03642	5.3
146.04710	0.8
147.04424	9.7
156.08441	7.8
159.04703	1.0
160.07578	8.4
170.06024	1.4
174.03143	36.3
175.03833	2.3
175.07623	0.7
178.02608	1.0
185.06349	3.9
202.02629	31.4
202.08974	12.6
202.12346	1.1
202.16750	2.0
203.03389	12.5
203.07002	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.0262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.3
59.96847	0.3
66.04724	1.8
66.05019	0.3
68.02637	0.3
89.03919	3.2
90.04698	9.5
91.05493	0.8
92.02611	0.3
94.04208	0.4
98.21563	0.4
100.03134	0.3
102.04690	0.5
105.07021	0.3
108.02059	0.3
117.03349	0.5
118.04160	24.6
131.04935	0.8
132.08925	0.3
145.02873	1.9
146.03625	14.4
146.10541	0.4
147.04446	1.7
149.02298	0.3
153.32516	0.3
156.02022	1.5
159.04419	0.5
160.12018	0.4
170.75504	0.3
173.02364	0.5
174.03123	100.0
175.03517	1.9
178.02652	3.0
202.02606	83.8
202.16672	0.8
203.03319	5.7
203.06914	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.0261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55908	0.4
55.01871	0.5
66.04726	2.3
69.71357	1.0
69.71771	0.9
69.90302	0.3
76.03169	0.4
79.08411	0.4
89.03911	4.4
90.04168	0.8
90.04705	11.8
92.02644	0.5
100.03142	0.7
102.04694	1.2
117.03360	0.4
118.04170	22.8
121.02687	0.3
127.22768	0.3
128.02592	0.4
133.02789	0.4
145.02855	2.3
146.03632	12.4
147.04448	0.4
156.02089	3.2
166.19817	0.4
173.02303	0.6
174.03136	58.7
175.03526	1.2
178.02640	4.0
202.02620	100.0
203.03015	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	201.1638
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
55.05508	2.8
64.38887	1.0
67.05490	3.2
69.07063	3.8
71.49043	0.9
79.05480	3.6
81.07055	11.1
83.08625	1.1
85.84805	0.9
89.00756	1.2
91.05473	6.2
93.07053	8.8
95.08605	12.0
105.07041	9.2
107.08585	13.1
109.10127	2.7
114.05484	1.2
117.07028	5.1
118.96737	5.3
119.08581	8.3
120.05537	1.5
121.10133	3.3
126.57359	1.0
128.06247	1.3
129.07010	3.3
130.07803	2.7
131.08574	27.0
133.10126	4.8
143.08583	2.6
144.09341	3.3
145.10130	56.0
146.10837	1.8
154.96463	1.5
157.10135	2.8
159.11702	29.1
161.08253	2.1
171.11690	5.3
173.13277	10.1
177.98064	3.4
185.72876	0.9
186.14006	4.1
201.11272	2.2
201.16389	100.0
201.24016	1.3
202.10855	1.2
202.16714	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1637
Annotation	(3Z)-Laurencenyne
Peak:m/z	Relative Intensity
53.03951	0.6
55.05504	2.2
65.03908	0.6
67.05492	2.5
69.07061	2.2
71.13696	1.0
77.94138	0.6
79.05505	4.4
81.07066	11.0
83.08618	0.6
91.05481	4.9
93.07047	7.9
95.08004	0.7
95.08609	12.4
105.07040	8.3
107.07896	0.7
107.08600	12.2
109.10149	2.2
110.01768	0.5
116.06216	0.7
117.07025	5.5
118.96761	1.8
119.08608	7.1
121.10153	3.7
128.06154	0.8
129.07007	1.9
130.07779	2.0
131.08574	21.8
133.10115	5.5
143.08533	1.9
144.09354	4.1
145.10135	45.8
146.10876	2.3
147.42763	0.6
157.10106	1.6
158.10847	0.9
159.11707	27.3
171.11714	5.3
173.13271	8.9
177.98111	0.9
186.14088	4.5
199.14844	0.8
201.16394	100.0
202.16708	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1639
Annotation	alpha-Corocalene
Peak:m/z	Relative Intensity
53.03942	0.7
55.05501	1.9
59.93102	0.7
67.05492	2.4
69.07077	3.2
69.53959	2.2
69.54366	1.9
70.06586	1.2
79.05481	2.5
81.07055	7.7
91.05489	4.7
93.07059	7.0
95.08613	11.1
98.21507	0.9
105.06402	0.9
105.07040	9.5
107.08596	9.5
109.10163	1.7
117.07033	4.2
118.96765	3.2
119.08588	7.2
121.09327	0.6
121.10147	2.5
123.96220	0.6
129.07028	3.0
130.07780	2.4
131.08572	25.6
133.10127	4.0
143.08559	2.6
144.09354	4.6
145.10133	54.5
146.10829	1.8
157.10112	2.1
158.10838	0.8
159.11694	23.4
161.08217	1.7
171.11652	6.4
173.09708	0.6
173.13272	6.3
177.98097	1.7
182.22398	0.6
185.13283	0.9
186.14072	5.4
199.14844	0.7
201.16391	100.0
202.10858	1.0
202.16730	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0548
Annotation	5-Methylangelicin
Peak:m/z	Relative Intensity
55.01887	0.5
55.05512	0.8
56.43583	0.4
60.79432	0.4
61.55234	0.4
67.05495	1.3
69.07057	1.1
69.40467	3.1
76.93526	0.5
79.05502	0.7
79.94853	0.4
81.07058	2.6
88.16819	0.4
91.05483	7.5
93.07034	1.6
95.08610	2.4
103.05488	3.7
105.07034	3.6
107.08584	2.0
109.10159	0.5
115.05461	18.4
117.07021	39.7
118.07309	0.5
119.08575	2.5
121.10148	0.7
127.05436	1.6
127.13808	0.4
128.06227	43.9
129.07018	17.3
130.07816	1.0
131.04944	3.2
131.08582	4.8
133.10149	1.3
141.07040	0.4
143.08542	1.1
144.05661	0.4
144.09352	0.7
145.06490	27.1
145.10135	9.1
147.04391	0.4
155.04944	0.9
155.06041	11.2
155.08585	0.7
157.06462	1.8
157.10123	0.6
158.03616	0.8
158.07254	0.6
158.10904	0.5
159.04430	5.6
159.08044	0.6
159.11708	6.9
171.11661	0.4
173.05988	100.0
173.13274	2.0
174.03088	0.9
174.06308	1.7
177.97960	0.6
183.08112	0.5
186.03149	0.7
190.58429	0.4
201.05470	58.6
201.09032	3.7
201.12685	2.3
201.16400	11.2
202.02655	0.7
202.05872	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53865	0.9
56.05034	2.2
56.96571	14.9
57.03452	5.5
58.99867	1.3
61.02929	2.5
69.03439	6.3
70.06596	5.9
70.53567	2.3
70.53928	2.4
70.98123	1.5
70.99862	6.1
71.04996	1.3
71.95268	2.5
71.99922	2.0
72.08159	8.1
73.01414	2.7
73.02927	8.1
74.09728	1.4
81.03411	4.3
82.01443	3.9
82.99835	1.0
83.00792	1.2
83.99937	1.0
84.04515	6.8
84.08136	5.6
84.15035	1.1
84.96015	2.8
85.02924	8.8
85.46216	1.0
86.06084	1.3
86.09714	2.2
87.04472	2.4
89.00867	2.2
91.02457	2.4
95.00791	1.6
97.02895	7.3
98.97594	100.0
99.04464	1.8
100.02506	5.9
100.07648	1.1
101.00883	12.1
102.00961	4.5
102.02214	1.3
104.01260	1.4
105.02194	1.2
110.01302	3.1
110.07167	1.4
110.97583	8.7
113.00903	2.0
114.04019	2.1
115.02416	1.3
116.98634	37.0
117.02112	1.7
119.01910	18.7
120.01989	5.6
122.01254	1.3
124.99113	1.5
125.01738	1.3
126.98793	6.2
127.03922	1.7
128.02296	3.8
128.98607	4.1
129.10243	2.0
131.01863	6.7
132.05019	1.0
133.03500	5.1
134.03603	3.0
134.99661	8.6
137.01863	1.1
137.02925	3.2
137.05962	2.9
140.00156	2.3
140.02361	2.5
140.98567	1.9
141.00278	1.4
142.03493	1.2
143.00136	2.5
143.01872	2.7
144.99820	6.4
146.02328	2.1
147.01366	1.4
147.04399	2.3
149.01190	1.7
149.02863	3.3
151.04514	1.1
152.02296	3.2
154.02019	2.3
154.03470	1.0
154.08621	1.3
155.02827	4.5
158.01300	1.6
158.03444	1.0
158.99693	9.5
159.01410	4.1
161.02876	3.8
164.03358	1.7
168.01437	5.9
170.99689	3.0
172.02809	1.5
172.08171	1.9
175.11926	1.7
176.01007	1.6
177.00743	8.2
177.02451	20.6
182.03038	3.5
183.11301	2.8
189.00681	2.1
191.03889	3.5
195.01741	1.7
195.03430	2.6
195.05196	1.2
199.18867	2.5
200.04073	15.6
200.07658	3.4
200.09264	1.2
200.12769	2.6
201.00735	1.9
201.02454	2.2
218.05211	1.8
218.08717	2.2
219.01707	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	197.1174
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
50.02254	0.8
55.01873	2.4
55.05510	3.8
59.04993	0.9
59.40843	0.6
61.02931	1.1
65.03927	1.1
67.05517	4.4
67.05822	0.7
69.03427	2.8
69.07079	1.0
69.71186	3.1
70.95874	5.2
71.05002	0.9
72.93793	2.8
73.02921	1.5
77.03891	0.7
79.05495	7.4
81.07062	7.1
83.04963	1.2
85.06541	0.7
87.04440	0.8
88.96865	0.6
91.05486	15.2
93.06480	1.3
93.07047	18.7
95.04955	2.4
95.08609	6.3
97.06528	1.6
98.21507	0.7
99.04443	1.9
103.05463	0.6
105.07037	26.0
107.04970	0.8
107.08600	100.0
107.69788	0.7
108.08920	0.7
109.06515	4.9
109.10178	5.2
111.07386	0.7
111.08089	8.9
111.98472	4.7
113.09609	0.7
117.07030	1.3
119.04975	2.9
119.06089	0.9
119.08594	14.8
120.05261	0.9
121.06551	3.1
121.10151	14.1
123.04413	1.6
123.08061	3.2
123.11717	2.3
124.04812	0.9
125.05995	4.8
125.09639	2.0
127.03939	1.4
128.06268	1.7
129.99492	1.8
131.08556	2.8
132.95831	10.7
133.06468	1.7
133.10138	56.3
135.11682	5.0
137.05980	7.9
137.09622	3.9
139.07530	3.3
141.06976	0.9
143.08549	2.2
146.07294	1.4
149.09628	7.8
150.09160	0.6
150.96907	7.4
151.03899	1.5
151.07555	2.4
151.09499	2.9
151.11189	17.0
153.12761	0.6
155.10628	0.6
155.97452	6.7
161.09615	18.0
165.05412	1.5
166.64453	0.8
167.10678	22.0
169.10243	0.9
173.98483	5.4
179.10680	37.5
182.10890	1.3
197.11739	46.5
197.13213	1.9
198.18495	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	197.1175
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
51.02379	0.9
51.17895	0.8
53.03949	4.8
55.01868	2.2
55.05511	10.4
57.03425	2.6
57.07077	1.5
59.04998	3.3
63.02246	0.8
65.03932	1.6
67.05187	0.8
67.05510	10.2
69.03432	7.3
69.07060	5.5
70.09984	3.3
70.95869	12.2
71.04999	3.9
72.93793	6.5
77.03919	1.2
79.05499	9.4
81.03396	1.6
81.07065	13.8
83.04999	4.5
83.08626	1.5
85.06537	3.5
88.96890	1.3
90.94828	1.3
91.05486	23.8
93.07047	29.2
95.04977	12.1
95.08610	15.5
97.06516	3.4
99.04453	5.1
99.08094	1.1
101.05989	1.0
105.03400	69.4
105.04531	2.9
105.07038	34.3
106.03716	1.0
107.08601	70.2
109.06522	8.6
109.10177	9.1
111.04467	1.1
111.08076	2.4
111.98483	14.7
113.05963	1.5
113.09637	3.2
113.96363	2.0
115.05444	1.7
117.06986	1.5
118.07858	0.8
119.04935	3.1
119.06105	1.6
119.08591	11.7
121.06522	5.3
121.10137	3.8
123.04446	7.6
123.08055	5.4
123.11763	4.4
124.04712	0.9
125.06008	7.7
125.09647	4.3
127.03899	2.0
128.06181	1.0
129.99559	3.9
131.08549	2.5
132.95840	27.6
132.96840	1.5
133.02855	0.8
133.06526	1.4
133.10136	69.7
134.10596	1.1
135.08060	1.5
135.11696	52.7
137.05984	11.5
137.09608	8.0
137.13229	1.3
139.11212	1.6
141.05383	1.2
141.06995	1.7
143.08549	1.8
146.07281	1.7
150.96896	19.2
150.98116	1.4
151.03905	3.6
151.04977	0.8
151.07513	1.2
151.09456	1.1
151.11215	7.0
152.07144	0.9
155.08551	1.5
155.97446	16.1
161.09633	33.2
161.13272	1.6
165.05502	1.8
166.05945	0.8
169.10106	1.2
173.97154	1.4
173.98499	14.5
179.07310	5.0
179.10681	100.0
179.14058	4.4
197.00208	1.0
197.06009	1.7
197.11740	60.1
197.13197	2.9
197.15494	2.5
198.18541	8.1
218.89038	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.6
53.03722	0.3
53.03948	4.4
55.01862	0.8
55.05518	4.4
55.93531	0.5
57.03439	1.7
57.07080	0.8
59.04997	1.0
65.03931	0.7
67.05508	4.5
67.91337	0.3
69.03442	4.4
69.07078	2.9
70.06600	0.4
70.17865	0.5
70.18249	0.8
70.95872	6.6
71.04992	2.5
72.93793	3.6
73.02918	0.8
77.03924	1.7
79.05502	6.2
81.03419	0.9
81.07064	5.6
83.04993	3.2
83.08610	0.5
83.34753	0.3
84.04510	0.5
84.08149	0.4
85.06548	2.0
86.09713	0.5
88.96909	0.8
90.94842	0.8
91.05491	5.7
93.07049	7.7
93.08115	0.3
95.04978	8.4
95.08609	8.5
97.06542	1.2
97.10210	0.4
99.04465	4.0
99.08105	0.9
101.06059	0.4
105.03399	100.0
105.04536	3.7
105.07032	8.6
106.03731	0.8
107.08599	16.5
109.06531	3.1
109.10155	2.9
111.04459	0.5
111.08105	1.7
111.30069	0.4
111.98486	7.2
113.06036	0.4
113.09663	1.9
113.96409	0.5
114.94765	0.7
115.05363	0.3
117.07019	0.6
118.07879	0.3
119.04963	1.1
119.06210	0.3
119.08585	3.2
120.05260	0.5
121.06518	1.4
121.10136	2.1
123.04437	5.0
123.08057	2.2
123.11725	1.0
124.04778	0.8
125.06001	3.4
125.09641	1.4
127.03925	0.8
129.99504	2.1
131.08604	0.8
132.95844	15.8
133.02887	0.4
133.10143	17.0
135.08061	0.6
135.11703	14.0
137.05981	5.5
137.06944	0.5
137.09618	2.9
137.13260	0.3
139.07581	0.6
139.11235	0.8
140.55051	0.3
141.05458	0.4
141.06992	0.5
146.07332	0.5
147.04391	0.9
150.96895	12.6
151.03929	3.3
151.07545	1.1
151.09435	1.6
151.11195	1.9
152.07104	0.6
153.12770	0.3
155.08591	1.0
155.10707	0.3
155.97437	9.5
161.09627	7.6
161.13319	0.6
165.05544	0.9
166.05850	0.9
167.07146	0.4
167.08557	0.6
169.10159	1.1
172.02945	0.3
173.98505	10.2
179.05685	0.5
179.07132	3.7
179.10684	21.2
179.14198	1.6
182.10931	0.9
197.00247	0.4
197.04463	0.4
197.06042	0.6
197.08107	0.6
197.09923	0.8
197.11763	13.6
197.13315	2.1
197.15488	1.0
198.05443	0.3
198.18562	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	197.081
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
53.03939	1.2
54.47817	0.3
55.01872	2.2
55.05511	1.8
57.03420	0.8
65.03948	2.4
67.05511	3.2
69.03419	1.4
69.07059	1.2
69.26158	2.3
69.26579	0.6
70.06594	0.6
70.46119	0.3
70.95868	3.8
71.01371	0.3
71.05006	0.5
72.93793	2.7
73.02921	20.1
77.03950	0.4
79.05490	1.1
81.07063	1.2
82.26669	0.3
83.04983	0.9
84.04483	0.8
84.08131	0.5
85.02901	0.6
85.06543	0.5
86.09718	0.7
88.96947	0.5
89.03930	0.4
90.94854	0.3
91.05482	4.3
93.03402	1.4
93.07053	1.5
94.04185	0.3
95.01355	0.3
95.04958	2.0
95.08611	2.4
97.06529	0.5
98.21532	0.6
99.04480	0.4
99.08089	0.4
105.03342	0.7
105.07028	1.0
107.04944	0.3
107.08616	1.5
108.02107	2.2
109.02898	0.4
109.06529	1.2
109.10160	1.0
110.03650	2.1
111.04436	1.5
111.98483	3.6
112.01622	0.5
113.05997	0.4
113.96429	0.5
117.03387	0.7
119.04931	2.4
119.08595	0.5
120.05257	0.4
121.10173	0.6
123.04449	1.7
123.08062	1.1
125.06003	14.3
125.09660	0.5
126.06337	0.4
129.99538	1.5
132.95837	8.8
133.02867	1.2
133.10147	1.2
135.11682	0.5
137.06000	2.7
137.09572	0.7
141.05487	2.4
141.07042	0.3
149.06010	2.6
150.96915	6.2
151.03922	100.0
151.05037	11.2
151.07472	3.3
152.04245	1.5
153.05490	0.4
155.03340	0.4
155.97424	5.0
161.13281	0.6
165.05548	0.5
169.05013	0.4
173.98508	5.3
179.03439	1.2
179.07047	17.8
179.10725	1.1
179.14331	1.0
197.04425	0.5
197.06042	0.9
197.08116	4.6
197.09750	0.5
197.11662	0.8
198.18506	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.8
53.03947	4.8
55.01866	1.5
55.05273	0.6
55.05519	8.2
55.93534	0.7
57.03444	2.3
57.07073	1.7
57.08260	0.4
59.05003	0.7
67.05503	5.4
68.99755	0.5
69.03436	7.9
69.07071	4.4
70.06606	0.9
70.77531	1.5
70.95871	12.0
71.04999	5.4
72.08144	0.8
72.93793	5.4
73.02897	1.1
77.03909	1.2
77.55260	0.4
79.05493	7.0
81.03415	1.4
81.07066	5.7
83.04996	5.9
83.08641	0.9
84.04481	0.7
84.08153	0.6
85.06560	3.0
86.06087	0.5
88.96916	1.2
90.94835	1.2
91.05496	4.2
93.07048	7.0
95.04980	8.0
95.07996	0.7
95.08608	13.9
96.08104	0.5
97.02885	0.9
97.06525	2.2
97.10150	0.5
99.04461	8.4
99.08122	1.2
101.05997	0.8
105.03395	100.0
105.04552	2.9
105.07034	5.0
106.03682	0.7
107.04986	0.6
107.08596	10.3
109.06534	3.1
109.10165	4.1
110.06055	0.5
111.04452	0.6
111.08057	1.4
111.98482	10.9
113.05983	0.7
113.09631	3.5
113.96406	1.5
117.07018	0.6
119.04977	1.0
119.08580	3.1
120.05309	0.9
120.98722	0.5
121.06506	1.1
121.10151	3.6
123.04429	5.1
123.08064	3.7
123.11739	0.5
124.04787	1.0
125.05992	5.3
125.09647	2.5
127.03952	1.4
129.99545	2.8
132.95836	21.5
133.10127	10.0
135.04405	0.5
135.08203	0.7
135.11703	6.3
137.05994	7.4
137.09593	4.3
137.13312	0.6
139.07544	0.6
139.11220	1.2
141.09116	0.6
143.08551	0.7
147.04404	1.0
150.96890	17.7
150.98125	1.1
151.03963	3.3
151.05051	0.9
151.07591	1.2
151.09491	2.6
151.11142	1.7
152.07127	1.3
153.12767	0.8
155.08557	1.2
155.10670	0.7
155.97432	12.3
161.09648	4.3
161.13257	1.3
165.05499	0.8
166.05870	0.6
169.02924	0.5
169.06435	0.6
169.10095	0.7
173.96974	0.7
173.98503	13.9
179.07021	4.3
179.10677	10.8
179.14311	1.9
182.10919	1.1
197.06004	0.6
197.08160	0.8
197.09874	1.0
197.11745	7.6
197.13347	2.8
197.15431	2.4
198.11285	1.0
198.18513	5.2
211.45978	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1382
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03943	8.2
55.01864	5.7
55.05513	22.8
56.70284	1.7
56.96564	11.9
57.03426	4.4
57.07069	2.7
65.03928	4.8
65.11041	2.1
67.05508	60.7
68.96322	2.1
69.03417	4.7
69.07072	21.9
69.93206	8.3
70.06596	2.5
71.04980	5.9
73.02958	1.8
79.05495	52.5
81.02993	3.3
81.03424	34.6
81.07060	100.0
83.04996	25.6
83.08610	10.8
84.08129	5.4
85.02888	2.0
85.06540	4.5
89.03905	8.3
89.06031	8.7
91.05487	42.0
93.03386	2.0
93.06490	3.9
93.07052	69.3
95.04983	17.8
95.08607	44.4
97.06544	18.2
98.21458	2.4
98.38907	2.2
99.08083	3.9
103.05460	2.3
103.38394	1.9
105.07027	18.2
107.04949	10.6
107.08607	32.3
109.06520	6.2
109.10141	6.1
109.98951	4.1
111.08068	5.5
113.06045	2.5
117.00985	2.5
117.03368	8.5
117.07032	15.7
119.04965	9.8
119.08601	6.7
121.02895	2.3
121.06520	12.8
121.10133	11.6
123.04437	16.6
123.08040	2.6
125.09678	3.3
130.96333	4.9
131.08588	15.5
131.96185	2.4
133.10138	19.7
135.04402	4.1
135.06972	2.6
135.08035	6.6
135.10693	3.2
135.11681	29.2
139.07535	4.8
140.01268	9.7
145.02856	21.7
147.04449	4.7
148.97359	7.4
149.01807	11.1
149.05975	8.6
149.09625	4.0
149.13281	20.7
149.97195	6.0
150.09151	30.2
151.11134	3.7
151.52031	6.5
153.05440	3.0
153.97859	2.3
159.11685	22.4
160.52557	6.1
163.03911	5.9
165.05486	10.8
165.06808	11.0
167.08488	4.8
171.99034	3.4
177.03918	2.5
177.05473	30.3
177.12727	13.3
180.09416	9.5
195.02950	10.8
195.06551	4.6
195.08148	5.7
195.10100	3.3
195.11656	20.3
195.13794	25.1
195.15567	4.3
196.09698	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1382
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03935	6.1
55.01866	5.0
55.05518	22.4
56.96569	11.4
57.03429	6.1
57.07065	6.2
62.07452	1.5
65.03941	3.0
67.05510	77.7
68.76673	1.7
68.96318	2.6
69.03426	4.7
69.07070	21.0
70.06572	2.2
70.38512	3.8
71.01337	2.8
71.04979	7.6
76.43665	2.0
79.05499	54.5
81.03425	29.1
81.07063	100.0
83.04987	34.0
83.08632	12.2
84.08148	4.5
85.06510	4.2
87.04449	1.9
89.03909	6.6
89.06029	5.5
91.05488	49.0
93.07049	75.7
95.04976	18.9
95.08615	49.2
97.06542	19.1
98.06081	1.7
98.21525	2.0
99.00020	1.9
99.04488	1.8
99.08136	2.1
100.02448	1.8
101.97607	1.4
103.05460	2.0
105.07031	16.3
107.04961	8.1
107.08604	32.0
109.06516	6.6
109.10145	6.3
109.98991	3.1
111.08067	6.0
113.09644	1.7
117.00990	2.2
117.03362	10.2
117.07011	15.9
119.04965	10.8
119.08570	6.2
121.02860	1.9
121.06520	17.3
121.10143	14.0
123.04443	19.9
123.08057	2.3
125.09565	1.6
126.01498	3.4
130.96312	7.4
131.08580	16.6
131.96158	3.6
133.10146	20.5
135.04434	2.5
135.06755	3.1
135.08035	6.8
135.11703	34.3
137.05989	4.7
139.07523	4.0
140.01265	13.2
145.02852	19.5
147.04480	8.6
147.05582	2.2
148.97374	5.8
149.01762	12.5
149.05988	6.2
149.09631	3.8
149.13266	20.0
149.97209	3.0
150.07980	3.4
150.09148	43.9
151.11151	2.9
151.52052	7.2
152.06111	2.2
153.05435	2.5
153.97885	3.3
159.11720	21.3
160.52559	6.8
163.03946	6.2
165.05487	14.7
165.06943	4.0
166.08540	1.9
167.07008	2.7
167.08755	2.2
171.98940	4.2
177.05478	21.6
177.09120	3.2
177.12764	14.7
195.02910	13.4
195.06462	4.7
195.08147	3.1
195.10063	2.3
195.11700	5.7
195.13812	26.2
195.15695	4.5
196.09720	5.1
208.43959	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03947	5.9
54.92151	1.3
55.01870	3.8
55.05516	21.3
56.96554	2.7
57.03432	5.4
57.07071	2.6
57.69066	1.3
65.03928	2.8
67.05509	68.5
68.96334	1.4
69.03437	1.6
69.07075	20.3
69.79475	7.9
71.04996	6.5
73.02905	2.1
79.05497	47.1
81.03423	14.9
81.07060	100.0
82.07388	1.8
83.04981	11.7
83.08632	12.3
85.06532	2.9
91.04916	1.6
91.05489	42.4
93.07051	61.9
95.04990	8.2
95.08617	37.4
97.06546	10.5
98.20885	2.0
99.04475	3.3
105.07049	15.2
107.04958	5.4
107.08607	31.4
109.06505	2.8
109.10162	4.7
111.08087	5.7
113.09687	1.6
113.72188	1.4
117.01011	4.3
117.03406	2.8
117.07020	15.2
117.69113	1.6
119.08591	4.3
121.06527	7.9
121.10145	11.7
126.01528	4.0
131.08560	14.6
133.10133	26.8
135.08063	4.5
135.11707	32.1
135.95082	1.4
139.07607	1.6
140.01257	12.9
145.02858	4.5
149.01807	13.4
149.09631	3.3
149.13271	15.9
149.51988	1.5
150.09154	3.4
151.11180	3.6
151.52028	8.8
154.06201	1.4
158.02299	2.0
159.11716	17.0
160.52628	5.0
163.03917	2.8
177.05525	5.0
177.12770	14.6
195.02861	1.6
195.06541	2.1
195.08173	1.9
195.13832	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	195.0654
Annotation	4-Hydroxy-3-methoxycinnamic acid
Peak:m/z	Relative Intensity
53.03941	1.3
55.01869	1.3
55.05513	4.2
57.03440	2.0
57.07083	1.0
63.02350	0.9
65.03934	1.6
66.08601	0.9
67.05492	2.9
68.96342	1.2
69.03421	1.9
69.07064	3.1
70.91398	2.0
78.04705	1.0
79.05506	6.2
81.03416	1.0
81.07056	5.2
83.04978	4.0
83.08603	1.2
84.08158	1.5
85.02897	2.4
85.06530	3.0
88.70300	0.9
88.89633	0.8
89.03920	23.8
91.05488	6.4
93.07050	7.1
95.04958	2.8
95.08608	5.2
97.06532	1.7
97.10140	1.3
99.08051	1.0
103.05454	2.6
105.07036	2.6
106.04164	2.9
107.04964	10.4
107.08601	5.6
108.54439	0.9
109.02846	1.0
109.06522	2.1
109.10148	3.0
109.98991	1.1
110.65215	0.8
111.04444	3.5
111.08064	1.8
115.05387	0.9
117.03389	51.1
117.07036	0.9
118.97832	0.9
121.06488	3.0
121.10178	5.6
123.04404	1.7
124.05185	1.3
125.05994	1.8
130.96298	1.7
131.04982	1.5
131.08569	1.5
133.10100	0.9
134.03658	8.5
135.04433	6.3
135.08032	5.3
135.11697	3.0
137.09584	2.8
145.02858	90.7
148.97322	1.0
149.05984	22.8
149.09547	1.3
149.13268	1.1
150.09189	1.0
153.05490	2.3
158.76395	0.9
159.11658	1.8
162.03198	1.3
163.03920	12.3
163.07597	1.9
167.07039	2.2
171.98917	1.0
177.05481	100.0
177.12779	2.2
177.16335	2.5
180.03253	1.0
195.02927	5.0
195.06616	1.5
195.08224	2.2
195.10165	3.0
195.11760	1.3
195.13803	2.0
195.17471	1.1
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	Winterstein's acid
Peak:m/z	Relative Intensity
53.24601	0.3
53.34531	0.2
55.01892	0.4
55.05499	0.5
56.05035	0.4
56.96563	0.8
58.06598	2.1
60.04517	0.3
65.03930	0.5
67.05516	0.5
69.03428	0.6
70.06599	0.9
71.47874	0.5
72.08155	0.5
79.05505	4.4
80.05018	0.5
84.08157	1.0
85.02939	0.3
86.09697	0.7
91.05505	1.1
91.11913	0.4
92.05905	0.3
93.07041	0.8
94.06589	0.4
95.04994	0.7
98.06033	0.5
98.97600	0.5
101.38309	0.3
102.05537	4.7
103.05467	9.5
103.06155	0.5
105.07032	3.6
107.04956	8.2
108.04539	0.3
112.21233	0.3
115.39908	0.3
117.03400	1.2
120.04480	0.4
120.08097	0.7
121.06559	0.5
124.07657	0.3
130.96338	0.8
131.04930	6.4
131.05852	0.5
132.08124	0.4
133.08873	10.8
134.06911	0.5
136.07559	0.5
138.05455	0.4
138.09109	0.5
145.02847	1.9
146.09644	0.3
148.03838	0.5
148.11212	100.0
149.05984	2.4
149.11560	1.3
150.05562	0.5
153.05447	0.6
153.97926	0.4
163.03775	0.3
166.04967	0.4
166.08647	0.9
175.11923	0.3
176.03368	1.8
176.07028	0.7
176.10716	0.6
177.05473	1.8
194.04582	1.2
194.08125	2.2
194.11769	22.9
194.15352	2.8
195.02928	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03945	1.2
53.97793	1.1
54.26034	1.3
55.01880	1.3
55.05515	7.8
56.76157	1.2
57.07078	2.9
59.04984	2.5
65.03939	2.8
67.05512	12.2
69.03413	2.0
69.06738	1.7
69.07075	26.7
69.98904	2.3
69.99300	2.8
71.04997	14.2
79.05495	10.2
81.03419	2.0
81.07062	25.0
83.08615	4.2
85.06560	11.0
91.05473	10.4
93.07054	25.7
95.04976	40.6
95.08617	19.7
95.62059	1.6
97.06511	3.8
97.10174	8.6
97.22333	1.2
99.08089	4.3
105.07037	20.4
107.04957	1.3
107.07877	2.2
107.08599	34.9
109.06526	100.0
109.10159	15.1
110.06855	1.4
111.08102	5.5
111.11695	1.9
113.09626	1.4
115.05447	1.4
119.08594	29.0
121.10175	9.6
123.04408	1.6
123.08078	6.8
123.11707	18.7
128.96399	1.6
133.02888	1.3
133.06485	4.4
133.10139	27.7
135.11708	30.1
137.06073	1.2
137.09625	16.9
146.97423	4.9
147.04388	2.9
147.07990	1.8
147.11668	6.7
147.12679	1.1
149.02301	4.9
149.03375	1.1
149.13269	9.3
151.11171	5.4
151.14827	1.7
161.05994	3.6
165.05472	1.4
166.08617	1.4
169.99159	1.7
175.14836	38.2
178.02643	3.3
178.07814	1.6
193.05013	11.0
193.06650	2.3
193.08542	2.4
193.10144	4.7
193.12178	2.8
193.15891	56.0
194.08109	2.7
194.15437	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
53.30591	1.0
55.05514	10.4
57.03417	1.3
57.07066	4.6
61.57807	1.0
65.03931	2.1
67.05510	12.6
69.03426	3.2
69.07071	16.2
70.43871	2.1
70.44207	1.6
71.05001	1.5
75.43219	1.1
77.58575	1.1
77.78575	1.1
79.05512	7.3
81.07070	13.9
83.04967	3.5
83.08631	6.9
85.06536	1.6
91.05482	13.0
92.31394	1.1
93.07045	12.7
95.04955	2.9
95.08615	31.3
97.06548	2.0
97.10172	1.9
103.05487	3.0
105.07037	33.7
107.04950	1.4
107.08598	17.6
109.06545	6.5
109.10163	33.2
111.08070	2.5
113.82709	1.1
115.05458	2.9
117.07026	3.2
118.04149	1.6
119.08594	65.3
121.10143	13.8
123.08056	11.2
123.11712	4.5
125.09673	1.8
131.08575	1.7
133.02864	2.5
133.06511	8.1
133.10138	74.8
135.10704	2.3
135.11702	35.9
135.12726	2.0
137.09615	13.3
137.12773	1.1
145.10136	5.5
147.11693	19.6
149.02373	2.0
149.13246	9.2
151.11150	1.7
151.14841	6.6
155.19154	1.2
155.23689	1.1
159.01514	1.1
160.12437	3.8
161.05998	9.9
168.40572	1.1
173.13260	2.0
174.97032	1.2
175.14842	100.0
176.15173	1.9
193.04967	9.5
193.06657	1.4
193.08578	5.7
193.15889	33.6
193.17651	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1224
Annotation	Ibufenac
Peak:m/z	Relative Intensity
53.03939	5.2
55.01862	9.8
55.05500	12.3
57.03437	3.9
57.07065	10.7
63.30281	2.4
63.64147	2.6
65.03939	9.5
67.05506	68.4
69.03431	9.4
69.07072	18.4
70.06605	5.0
70.98067	5.1
70.98386	3.9
71.04985	7.4
77.03910	2.9
77.35146	2.9
79.05497	61.5
81.03416	3.7
81.07061	65.1
83.04999	14.2
83.08603	4.0
84.56673	2.5
85.06544	6.3
91.05486	100.0
93.07050	41.2
95.04961	17.6
95.08620	31.3
97.02917	19.9
97.06539	15.6
99.08111	4.8
103.05486	5.3
105.07034	77.5
107.04964	9.1
107.08555	17.6
109.06549	17.8
109.10160	8.1
109.74548	2.9
111.04456	5.1
111.08092	3.8
113.05978	4.7
115.05482	6.3
117.07069	2.8
119.08579	61.0
121.06504	3.1
121.10133	12.4
123.04424	4.9
123.08071	8.7
129.07008	15.8
131.04837	3.6
131.08615	16.9
133.02881	12.2
133.06520	19.7
133.09146	3.4
133.10138	66.6
135.11711	4.7
137.05995	11.1
137.09651	6.9
142.07817	5.2
146.97446	20.9
147.04422	6.3
147.08038	8.5
147.11690	73.5
149.02377	39.5
149.03487	5.1
149.06009	4.1
149.09631	11.5
151.07416	3.4
151.11220	4.4
157.10138	33.7
161.06067	13.5
165.05492	7.6
165.12766	12.0
169.98994	9.2
175.03893	3.8
175.11183	48.0
175.14867	9.3
178.02589	14.1
193.04935	68.9
193.08606	7.6
193.10300	4.8
193.12238	62.1
193.15883	13.1
194.15407	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	193.1222
Annotation	Ibufenac
Peak:m/z	Relative Intensity
51.81719	1.9
53.03948	3.7
55.01878	13.7
55.05510	8.9
57.03442	5.4
65.03936	6.3
67.05508	63.8
69.03413	4.6
69.07079	15.5
69.83541	4.3
69.83935	6.3
71.04997	7.1
74.84231	2.0
75.07325	2.0
79.05497	50.4
81.03418	3.8
81.07063	68.1
83.04987	9.2
83.08627	3.7
85.06550	7.8
91.05488	100.0
93.07050	36.4
95.04971	25.4
95.08600	19.1
97.02895	10.5
97.06528	24.1
99.04441	3.3
99.08108	3.4
103.05467	3.4
105.07038	81.1
107.04960	10.5
107.08592	15.9
109.06519	27.8
109.10184	6.5
113.05996	7.0
115.05479	9.4
117.07021	4.7
119.08588	53.6
121.06517	3.5
121.10148	9.4
123.04456	2.6
123.08076	5.4
123.11726	3.2
123.54713	2.1
125.06067	3.3
129.07021	27.3
131.08572	23.2
133.02893	3.6
133.06508	19.1
133.09135	3.8
133.10135	74.9
135.11751	3.4
137.06041	3.7
137.09581	3.4
142.07787	6.4
146.97426	3.1
147.08095	6.5
147.11694	84.9
149.02342	13.8
149.09634	23.8
151.07573	3.8
151.11208	2.9
157.10144	54.4
161.05988	9.3
162.05496	7.9
165.05496	2.7
165.12781	9.2
175.11205	81.0
175.14847	5.0
178.02621	4.2
193.04997	20.3
193.08582	5.2
193.10402	4.0
193.12225	62.8
193.15933	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	193.0497
Annotation	1,3,6,8-Naphthalenetetrol
Peak:m/z	Relative Intensity
51.02384	0.4
53.03952	0.5
53.08393	0.4
55.01876	1.1
55.05516	0.7
55.93514	0.4
56.96530	0.4
65.03929	0.6
66.04721	0.4
67.05515	1.7
68.99802	0.6
69.03401	0.4
69.07075	0.9
69.20217	2.1
69.20641	1.4
71.04994	0.5
79.05496	6.2
81.03424	0.9
81.07063	1.7
83.01360	0.8
83.04998	0.6
85.06545	0.5
91.05486	3.8
93.07057	2.1
95.04967	1.4
95.08614	1.9
99.08051	0.4
103.05472	2.2
105.07032	13.5
107.04961	6.6
107.08590	2.0
109.06511	1.7
109.10179	1.9
115.05466	3.5
118.04199	1.0
119.04942	0.5
119.08594	3.6
121.10162	0.7
123.04465	0.5
123.08055	0.6
123.11765	0.5
125.05995	0.4
131.04843	0.4
133.02858	1.5
133.06491	8.9
133.10135	3.2
135.04439	3.0
135.08093	0.7
135.11685	1.6
137.05992	3.3
137.09625	0.9
143.06046	0.6
145.02861	1.6
147.04439	0.7
147.08084	0.9
147.11691	1.7
148.01517	0.4
149.02353	0.8
150.03130	0.9
151.03995	0.4
151.11203	0.4
152.39136	0.4
161.05984	8.3
163.03903	45.2
164.04234	0.6
165.05489	1.5
175.03993	0.4
175.14784	2.2
176.01053	11.2
177.01845	18.9
178.02612	100.0
179.02931	1.1
191.03378	0.9
193.04965	90.4
193.12190	1.4
193.15900	2.6
194.02171	2.7
194.05334	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1795
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03940	1.7
53.50072	1.1
54.01730	0.9
55.05505	15.4
57.07066	3.2
64.07108	0.9
67.05505	16.0
69.03442	1.2
69.07066	38.6
70.19482	3.0
70.27265	0.9
70.72221	0.9
79.05495	14.2
81.07053	14.4
83.08614	14.1
91.05457	9.4
93.07043	49.5
95.04980	2.1
95.08607	75.3
97.10168	8.3
105.07020	9.1
107.04968	1.5
107.08591	51.3
108.90462	2.3
109.06522	1.9
109.10159	36.9
111.11684	1.6
117.07014	1.9
119.08569	3.6
121.06477	1.6
121.10144	77.0
123.11704	5.3
131.08571	6.9
133.10121	4.3
135.08054	2.7
135.11687	57.7
145.10106	4.7
146.06039	1.8
147.11627	4.7
147.59906	1.1
149.09622	1.9
149.13277	13.3
162.05461	1.5
162.13943	1.3
163.11188	1.6
163.14813	1.2
167.05542	1.2
168.05481	1.4
169.03529	1.1
173.13298	6.4
176.08278	1.2
191.05544	1.1
191.06836	1.3
191.08385	2.2
191.10681	4.3
191.14343	12.1
191.17946	100.0
192.18282	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02898	1.6
53.03936	1.6
55.05501	5.4
57.03431	1.7
59.04981	1.7
65.03933	2.3
67.05508	11.5
69.03416	4.9
69.06792	1.1
69.07075	11.8
70.92421	4.0
71.05000	7.6
79.05501	12.4
81.07059	14.0
82.52265	1.3
83.04999	2.7
83.08611	5.2
85.06538	2.4
91.04977	2.4
91.05486	27.1
93.07049	16.9
95.04957	9.8
95.08617	14.8
96.48333	1.3
97.06559	7.7
103.05463	3.0
105.07040	52.0
107.08609	33.5
109.06534	20.9
109.10162	36.6
111.08089	3.3
115.05516	2.9
116.06251	2.3
117.07029	9.8
119.08590	26.6
121.06490	5.3
121.10156	20.8
123.08079	11.0
123.11707	5.4
129.07021	6.5
130.07813	2.3
131.08577	58.1
133.10139	100.0
134.10558	1.3
135.08066	42.5
135.11679	4.9
143.08562	9.7
144.09360	4.0
145.10133	26.0
147.08022	1.7
147.11707	32.0
148.08823	1.7
149.09645	8.5
149.13258	18.8
151.69737	1.6
158.10921	18.4
161.13266	2.2
163.07489	2.1
163.11121	2.2
163.14798	2.9
171.11780	1.5
173.13275	71.9
176.12038	1.9
191.03479	2.6
191.07053	5.0
191.10704	4.5
191.14323	81.0
197.71922	1.6
201.31384	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82341	1.6
55.05499	7.3
57.03434	3.3
57.07060	3.3
59.04967	2.4
67.05508	8.4
69.03417	6.0
69.07067	12.2
70.66177	3.0
71.04983	6.2
79.05488	11.9
81.07037	8.9
83.04970	5.2
83.08607	4.0
85.06554	3.0
87.26457	1.5
91.05482	22.2
93.07044	14.3
95.04951	5.7
95.07330	1.6
95.08623	13.1
97.06523	5.5
103.05468	5.6
105.07034	43.8
107.04926	2.6
107.08604	35.3
109.06544	13.6
109.10163	18.1
115.05431	2.7
117.07002	4.4
119.06070	1.5
119.08577	20.2
121.06499	6.7
121.09354	1.8
121.10155	22.6
123.08060	9.0
123.11684	5.5
129.06967	4.6
130.07852	1.8
131.04915	3.9
131.08571	41.2
133.10138	100.0
135.04454	1.6
135.08055	30.0
135.11684	4.5
137.09557	2.1
143.08543	9.3
144.09355	3.8
145.10133	24.4
147.07994	2.0
147.11711	12.4
147.14299	1.8
148.05148	1.8
149.09634	11.2
149.13277	24.8
150.10345	3.1
158.10905	18.7
163.07643	3.6
163.11162	3.6
163.14795	3.1
173.13280	55.6
191.07051	5.9
191.14319	69.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1795
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03931	2.6
53.31910	1.6
55.05521	16.3
56.05026	1.9
57.07063	8.0
65.03925	2.2
67.02975	1.9
67.05495	15.8
68.05022	5.4
69.07074	40.9
69.79462	6.5
70.06577	1.7
79.05491	17.1
80.05022	2.0
81.04546	2.5
81.07062	24.4
82.06580	2.8
83.06107	3.3
83.08618	16.2
91.05482	13.1
93.06486	3.6
93.07051	56.0
94.06526	2.3
95.04935	3.1
95.08613	79.8
97.07613	2.3
97.10188	9.0
98.20855	3.6
105.07019	11.3
107.04959	3.0
107.07884	4.1
107.08602	68.3
108.05618	4.1
108.90455	2.3
109.03986	3.5
109.07634	5.5
109.09492	3.4
109.10159	38.1
110.07150	4.7
111.07938	2.4
112.08761	1.9
119.08561	7.0
121.07641	1.9
121.10154	92.1
122.07164	2.8
123.06733	2.2
123.11744	9.5
131.08540	2.7
133.07607	2.6
133.10124	5.7
134.07089	2.3
135.08038	8.3
135.11699	67.0
136.08696	3.7
145.10133	2.9
147.07932	2.2
147.11714	3.4
148.08644	1.9
149.08238	7.9
149.13280	15.6
150.08604	2.6
150.10257	5.9
151.09746	2.0
163.11191	2.2
163.14755	1.9
173.09679	2.9
173.13203	3.3
174.10326	2.6
177.07913	2.9
189.97722	1.8
191.03302	2.2
191.06934	2.4
191.10434	9.0
191.12885	7.1
191.14345	15.9
191.17958	100.0
192.10196	5.0
192.12378	4.3
192.18040	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.8
54.96912	0.6
55.01874	3.3
55.05502	2.3
57.07078	0.7
65.03942	0.7
67.05495	2.2
68.78957	0.6
69.03430	2.9
69.07072	16.0
70.19935	2.3
79.05513	3.4
81.07069	3.5
83.04975	2.2
83.08615	1.1
85.06541	0.6
91.05488	5.9
93.06499	1.0
93.07057	14.0
95.04970	1.5
95.08616	5.3
96.59572	0.6
97.06526	2.7
100.12593	0.7
103.05463	4.0
105.07037	6.1
107.04939	1.1
107.08603	14.2
109.06533	4.3
109.10183	4.0
111.08060	0.6
115.05462	1.7
117.07034	2.0
118.04131	0.8
119.08606	3.7
121.05669	1.2
121.06514	16.2
121.10146	8.9
123.08091	2.9
129.07036	0.8
131.04916	2.3
131.08597	7.6
133.10144	7.5
135.08070	12.0
135.11708	4.2
137.09622	0.9
143.08514	1.1
145.10133	5.0
147.11697	21.6
148.05209	1.5
149.09660	5.1
149.13249	7.2
158.10899	3.0
161.09648	6.6
163.07570	2.1
163.11179	1.1
163.14842	2.5
173.09546	0.6
173.13274	13.5
176.04692	1.9
176.12045	1.4
191.03438	0.8
191.07057	3.9
191.10651	2.7
191.14319	100.0
192.14700	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03943	2.3
55.01865	2.8
55.05513	4.6
57.03438	1.2
57.07067	1.4
65.03905	0.9
67.05183	1.3
67.05509	18.2
69.03429	6.1
69.07075	11.3
69.25387	7.3
71.04991	10.0
71.84113	0.9
79.05494	14.3
81.07059	12.8
83.04962	3.2
83.08614	3.8
85.06528	5.4
91.05479	20.0
93.07053	16.8
95.04974	14.5
95.08612	12.4
97.06525	4.1
98.02894	1.2
103.05472	5.3
105.07040	25.9
107.04947	4.5
107.08599	32.7
109.06522	31.2
109.10161	61.4
111.08064	1.4
115.01958	1.0
115.05431	4.4
115.06212	1.3
116.06228	1.8
117.07011	7.3
117.71372	1.1
118.04187	1.3
119.08586	10.7
120.05729	0.9
121.06509	8.7
121.09336	1.6
121.10152	20.2
122.01722	1.0
123.08076	14.4
123.12750	1.0
129.07004	3.0
131.04929	5.3
131.08572	41.8
133.06497	3.3
133.10135	23.0
135.08061	75.6
135.11667	4.5
143.08537	5.5
144.09329	1.9
145.10124	14.4
147.08035	2.5
147.11690	12.2
148.05197	3.5
148.08836	3.3
149.09631	14.8
149.13242	7.8
150.10406	2.3
158.10896	8.9
161.09639	5.3
163.07527	8.7
163.11159	2.8
163.14806	2.8
173.13271	44.3
176.04709	3.3
176.11955	3.6
191.03442	4.8
191.07030	10.4
191.14310	100.0
192.14708	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.01868	1.3
55.05514	4.1
57.07066	1.3
57.25299	0.7
62.37768	0.8
67.05489	2.7
69.03093	1.1
69.03433	15.2
69.07073	7.7
69.25328	3.5
69.25755	3.7
70.22471	0.8
74.48936	0.6
79.05489	3.2
81.07045	2.8
83.04977	15.0
83.08622	1.9
91.05477	5.9
92.50623	0.8
93.07038	4.6
95.08591	3.1
97.06532	1.9
105.07040	8.5
107.04937	1.4
107.08604	22.0
109.06519	3.2
117.07029	1.6
119.08606	7.2
121.06506	6.2
121.10148	12.5
123.08076	2.1
129.07002	1.4
131.08578	9.5
133.10146	10.1
135.08057	13.0
135.11688	1.3
136.08823	1.6
143.07529	0.8
143.08511	4.8
144.09373	1.1
145.10136	5.2
147.11700	5.8
149.09634	5.1
149.13223	4.7
158.10928	6.6
161.09622	5.3
163.14766	1.3
173.13280	14.2
173.79259	0.8
176.11992	2.7
180.50308	0.9
191.14316	100.0
192.14664	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03931	1.7
55.01879	2.7
55.05515	11.8
57.07072	2.7
65.03948	1.6
66.04733	1.6
67.05510	11.0
69.03433	13.8
69.07072	15.1
69.34200	10.6
69.34592	2.7
71.04985	3.7
77.03914	2.0
79.05492	16.3
81.07063	27.7
83.04989	15.3
83.08606	3.7
83.81865	1.4
85.06541	4.8
91.05492	24.3
93.07050	29.4
95.04961	6.4
95.08613	32.9
97.06550	11.8
99.24816	1.4
103.05468	3.4
105.07043	38.8
107.04963	19.1
107.08607	72.1
109.06532	22.5
109.10152	8.1
111.08067	6.5
115.05407	1.7
116.06213	1.7
117.07024	5.1
119.08582	19.6
121.06512	45.1
121.10152	62.5
123.08080	18.8
129.07011	3.1
131.04976	1.6
131.08586	43.8
133.10139	38.3
135.08061	27.1
135.11681	6.7
143.08559	4.2
144.09332	3.0
145.10126	18.5
147.11708	21.1
148.08820	1.9
149.09637	34.9
149.13290	16.6
158.10905	10.1
163.11197	5.6
163.14845	16.5
173.13286	44.6
191.14320	100.0
212.64496	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63461	0.7
55.01882	1.0
55.05510	5.5
57.07075	1.5
59.05008	1.0
65.03949	0.8
67.05500	4.8
67.25153	0.7
68.57819	0.8
69.03442	13.0
69.07076	6.0
70.61022	1.5
71.05003	1.4
74.31339	0.8
79.05502	6.5
81.07070	5.5
83.04987	12.2
83.08608	1.5
85.06539	1.4
91.05492	6.5
93.07054	8.1
95.04974	1.5
95.08617	6.8
97.06519	2.4
103.05476	1.6
105.07041	10.0
107.04956	3.1
107.08604	28.0
109.06540	3.6
109.10134	2.2
111.08089	1.5
117.07027	2.2
119.08611	5.2
121.06511	11.1
121.10156	17.1
123.08068	2.5
129.07013	2.4
130.07762	0.9
131.08569	11.7
133.06548	1.2
133.10136	11.5
135.08084	13.1
135.11720	2.9
136.08788	0.9
143.08600	3.4
144.09338	1.4
145.10149	5.8
147.11671	8.4
148.05254	0.9
149.09637	8.0
149.13307	5.3
158.10907	7.2
161.09607	4.2
163.11209	1.1
163.14838	3.0
173.13280	16.3
176.12021	1.4
191.14322	100.0
192.14658	1.8
202.09059	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57221	0.4
53.03935	0.6
55.01880	0.9
55.05509	3.2
57.07059	0.8
61.63689	0.5
65.03913	0.6
67.05492	1.7
69.03433	12.3
69.07076	4.3
70.18159	1.6
71.04989	1.0
79.05484	2.9
80.54984	0.4
81.07081	2.2
83.04990	10.4
83.08599	1.9
85.06549	0.6
91.05482	4.8
93.07040	4.0
95.04979	1.0
95.08626	2.2
97.06532	0.9
103.05463	1.2
105.07043	6.2
107.04974	0.9
107.08598	17.5
109.06513	1.6
109.10196	1.0
115.05470	0.5
116.06168	0.5
117.07015	0.8
119.08584	4.1
121.06512	3.9
121.10154	9.2
123.08060	1.3
129.07001	0.7
130.07802	0.5
131.04921	0.9
131.08580	7.9
133.10139	9.6
135.08055	9.9
135.11693	2.1
136.08871	0.8
137.09648	0.7
143.08554	2.9
144.09219	0.6
145.10124	3.9
147.08092	0.5
147.11705	4.1
148.05186	0.6
148.08809	1.1
149.09663	3.7
149.13234	3.5
158.10919	5.7
158.43286	0.5
161.09631	4.5
163.07549	1.8
163.14842	2.0
173.13274	12.3
176.04819	0.6
176.11975	1.7
191.07025	1.2
191.14316	100.0
192.14699	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1425
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03941	2.3
55.01861	5.0
55.05503	6.2
57.03444	1.8
57.07080	3.1
63.87221	1.3
65.03928	2.8
67.05507	20.3
69.03415	5.4
69.07071	10.7
71.05006	10.4
79.05492	14.5
81.07067	17.1
83.04979	4.9
83.08623	5.5
85.06537	5.3
89.03898	1.5
91.05486	23.7
93.07050	22.3
95.04974	11.9
95.08614	20.4
97.06524	7.2
97.64936	1.6
103.05462	9.6
105.07038	37.3
107.04951	5.2
107.08595	38.5
109.02849	2.2
109.06520	28.3
109.10162	66.5
111.08083	2.2
115.05453	5.8
116.05789	1.8
117.03317	1.6
117.06190	2.9
117.07012	10.3
118.04176	2.7
118.06551	1.4
118.57040	1.6
118.65506	1.5
119.04920	1.6
119.06075	2.5
119.08576	13.3
121.06506	7.7
121.10154	23.6
123.08076	15.9
123.11714	2.9
129.06998	5.7
130.07779	2.4
131.04955	6.7
131.08575	52.8
132.05208	2.0
133.02893	2.0
133.05537	4.8
133.06514	4.3
133.10138	72.4
134.05745	2.2
135.04460	3.9
135.08063	68.1
135.11670	11.4
143.08557	6.4
144.09377	2.2
145.05464	2.9
145.06493	2.9
145.10135	18.5
146.05905	2.1
147.08034	3.6
147.11665	6.9
148.05208	4.1
148.08797	2.9
149.09637	13.6
149.13268	11.4
150.10422	3.1
158.10927	11.9
161.09663	3.6
163.03931	6.1
163.06018	1.3
163.07570	6.2
163.11234	3.6
163.14819	4.0
167.53397	4.6
173.09665	4.0
173.13274	55.0
174.13506	1.4
176.04741	3.3
176.08224	1.5
176.11992	2.4
191.03365	18.9
191.04990	26.3
191.06978	8.2
191.10667	13.2
191.14313	100.0
191.17957	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	188.0707
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
57.64412	0.4
70.64861	1.2
73.63818	0.5
80.21495	0.4
87.06607	0.4
91.05480	4.7
91.73911	0.4
110.66875	0.4
115.05462	6.3
116.05037	0.5
117.05764	1.3
117.07015	4.4
118.06547	70.8
119.06869	0.6
132.08095	0.8
142.06537	6.9
143.07310	13.0
144.04462	0.8
144.08093	23.0
145.06497	0.5
146.06017	100.0
147.06328	1.2
155.06029	1.6
160.07587	1.2
170.06029	10.2
188.07080	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	190.05
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
56.96575	0.4
58.99593	0.4
59.34717	0.2
62.84919	0.2
63.31765	0.2
63.68665	0.2
67.38684	0.2
69.79919	0.8
69.80337	0.5
76.02254	0.6
79.38590	0.3
89.03954	1.0
91.05506	0.3
96.60819	0.2
98.97588	0.4
100.02191	0.4
115.30853	0.2
116.04994	3.9
116.05744	0.4
118.06528	0.3
130.05017	1.0
130.06540	0.4
132.17543	0.2
134.05994	0.4
144.01134	0.5
144.04402	2.7
148.04803	0.3
160.92198	0.2
162.05504	100.0
163.03841	0.3
163.05893	1.2
190.04985	34.2
191.03401	0.6
191.05267	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39435	0.4
69.70203	1.0
69.70633	1.7
80.77237	0.4
90.23051	0.5
91.05479	4.4
102.33818	0.5
103.05454	1.0
115.05469	6.9
116.05738	0.8
117.05765	1.5
117.07010	4.9
118.06550	71.2
119.06900	0.4
125.93396	0.5
132.08076	1.0
139.41548	0.5
142.06534	6.4
143.07317	13.2
144.04408	0.8
144.08101	23.6
145.08389	0.6
146.06018	100.0
147.06337	1.7
155.06084	0.7
156.35793	0.4
160.07617	1.1
170.06021	8.9
188.04277	1.6
188.07076	19.9
189.07457	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1174
Annotation	trans-(-)-2-Acetyl-1-isopropylcyclopropaneacetic acid
Peak:m/z	Relative Intensity
52.00425	1.0
53.03946	1.8
55.01873	3.2
55.05516	64.8
56.96564	1.3
57.03430	1.9
59.05009	8.8
61.77003	0.9
67.05505	5.5
69.03434	22.5
69.07077	11.4
70.06582	2.1
71.00375	2.1
71.04993	3.3
72.08171	1.8
79.05502	5.9
80.55202	0.9
81.07047	4.6
83.04987	44.5
83.08596	1.2
84.08163	1.3
85.02907	4.6
85.06543	2.9
86.09705	3.9
89.03899	1.1
91.05478	3.0
93.07056	11.4
95.04956	1.3
95.08615	16.9
97.06538	17.8
97.10155	0.9
101.02406	1.0
101.06023	65.2
105.07031	3.5
107.08599	15.1
109.06555	6.2
109.10144	3.1
111.04459	1.1
111.08043	2.1
113.06017	13.0
117.03338	0.9
121.10155	11.7
123.08106	5.8
125.05991	3.4
125.09642	100.0
126.09992	1.5
129.05479	13.1
129.06967	1.8
131.08565	2.9
137.09589	0.9
139.11191	71.4
142.07724	1.0
149.09634	8.9
157.06503	1.1
158.06029	1.4
163.01871	1.0
167.10692	25.2
181.02992	1.1
185.05881	2.1
185.11745	15.7
185.13257	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0391
Annotation	Psoralen
Peak:m/z	Relative Intensity
53.50220	0.4
57.74421	0.3
69.45228	2.4
79.94805	0.3
84.07399	0.3
95.02282	0.4
98.21427	0.7
103.05466	1.0
110.45643	0.3
110.78365	0.3
115.05464	31.7
131.04936	42.3
143.04936	18.3
159.04425	2.8
187.03917	100.0
188.04276	1.7
199.21016	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0389
Annotation	Psoralen
Peak:m/z	Relative Intensity
50.01407	0.0
50.01602	0.1
51.02400	0.2
53.03947	0.3
62.01597	0.1
63.02398	0.2
65.03941	0.2
65.78942	0.0
70.86210	0.0
70.86522	0.1
74.01572	0.1
75.02372	0.1
77.03896	0.4
89.03911	0.7
89.04414	0.1
95.04960	0.5
102.04652	0.2
103.05464	1.5
105.04508	0.3
113.03932	0.0
114.04662	0.0
115.05454	39.6
131.04929	55.1
143.04922	21.6
159.04416	4.1
177.05507	0.0
186.03181	0.1
187.03902	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	184.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	1.2
57.03432	2.0
61.02917	1.0
64.31314	0.5
68.98294	0.5
69.03432	3.2
70.55769	0.8
70.56123	1.2
73.02915	2.5
80.51087	0.5
80.94931	0.9
81.03424	0.9
82.01455	1.2
82.99853	8.4
85.02896	2.5
85.15605	0.5
97.02907	2.2
98.03172	0.8
98.97603	1.0
99.04485	0.6
100.02518	0.7
101.00893	62.8
102.00961	3.0
103.00653	1.3
113.00853	1.5
114.01031	0.7
115.00639	1.0
115.02451	1.0
119.01933	100.0
120.02014	3.0
121.01669	0.7
123.65786	0.5
124.02454	4.9
127.03968	0.8
130.02776	0.8
131.01912	1.2
132.02013	0.8
133.01697	2.5
133.03412	0.7
137.02962	13.5
142.03513	23.6
143.01920	3.7
143.03665	1.0
144.02054	1.5
144.53546	0.6
145.01668	1.4
145.03441	0.7
155.01886	1.2
156.02118	1.4
156.03282	0.8
157.01659	1.5
160.04585	3.0
161.02968	17.3
162.03134	1.1
163.02707	0.7
174.03212	1.3
175.02751	1.1
179.02434	1.2
179.04019	8.8
184.04555	1.5
186.03107	0.7
187.02692	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.097
Annotation	chaetoglocin D
Peak:m/z	Relative Intensity
55.01886	0.5
55.05521	1.2
56.07108	0.4
57.03429	0.5
58.02976	2.9
58.06606	0.4
60.04531	16.5
63.21754	0.3
67.05500	1.8
68.05840	0.3
69.03420	0.7
69.07073	100.0
69.54569	1.3
69.54979	0.8
70.06596	0.8
70.07410	1.5
71.05010	0.7
71.08633	2.7
72.08164	0.9
77.72585	0.4
79.05487	0.5
81.07066	0.7
83.04980	0.9
83.08640	0.3
84.08150	0.5
86.02436	15.1
86.06077	1.0
86.09699	1.0
93.07043	0.8
95.05005	1.8
95.08605	1.5
96.04512	1.6
96.05306	1.1
96.08153	1.0
97.02901	0.7
97.06543	6.0
98.06064	0.4
98.21499	0.6
99.04427	0.3
100.04807	0.4
100.07632	0.7
100.22778	0.4
101.00887	0.6
101.06039	0.4
101.95043	1.5
105.03434	0.4
107.08621	0.4
110.06053	0.4
110.07172	0.4
110.09698	1.5
111.08075	0.4
119.01931	1.6
119.96114	0.7
120.08091	0.4
123.04366	0.4
123.08105	0.5
124.04783	1.5
124.07603	1.0
125.00011	0.8
125.09640	1.4
129.07047	0.5
134.78433	0.3
137.02924	0.4
138.05458	0.9
138.09146	6.8
138.10103	0.7
139.11215	1.0
141.05035	0.4
142.03494	0.4
145.03458	0.7
148.07585	0.5
148.24013	0.3
156.07455	0.4
156.10205	4.5
161.03038	0.4
166.04959	0.5
166.08543	3.0
166.47861	0.4
167.10638	0.8
172.56380	1.7
173.06624	0.5
181.56874	0.7
184.07555	1.0
184.09703	23.7
185.05894	0.6
185.10191	0.4
196.33984	0.4
200.07732	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65220	0.5
69.41793	0.5
82.99848	9.6
101.00890	61.6
102.00991	1.4
102.49648	0.5
102.78585	0.5
119.01929	100.0
120.02043	2.1
124.02466	4.9
137.02963	13.1
137.34435	0.5
142.03510	22.8
143.01906	1.2
143.03564	0.8
150.89191	0.5
160.04585	3.2
161.02986	11.7
161.04201	0.4
179.04030	8.9
184.04517	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1381
Annotation	Nordavanone
Peak:m/z	Relative Intensity
50.71576	1.0
53.03951	6.1
55.01861	2.9
55.05512	23.9
55.93508	1.3
57.03434	4.6
57.07078	31.8
65.03944	0.9
67.05508	17.1
68.99792	21.6
69.07071	15.1
71.01355	100.0
71.05000	7.8
71.08629	4.5
79.05492	6.3
81.03419	9.0
81.07056	23.1
83.04977	5.6
83.08625	3.3
85.02888	2.9
85.06533	1.8
91.05468	3.5
93.07047	4.9
93.65482	0.9
95.04977	8.5
95.08070	1.3
95.08614	16.0
95.66778	0.9
97.06524	3.2
97.10155	3.3
98.21568	1.5
98.98476	13.3
99.04461	20.7
101.95032	8.9
105.03395	12.0
105.04497	1.5
105.07013	1.6
107.08529	1.4
109.06509	3.4
109.10164	1.5
111.04436	2.6
111.08079	1.3
113.06007	33.4
119.01985	0.9
119.08550	1.9
119.96069	2.0
121.10118	2.2
123.04422	2.6
123.08047	2.5
123.11662	1.5
127.01560	2.6
127.07549	10.3
128.95097	1.7
137.97107	2.0
139.11229	1.1
141.09097	2.1
142.03511	1.8
142.07796	1.3
146.96109	1.1
147.11655	1.2
149.46243	1.0
155.08563	2.1
158.03636	2.9
160.04520	1.1
165.09091	1.4
168.09399	2.2
180.60043	0.9
183.04578	0.9
183.06532	1.2
183.09337	4.1
183.11810	3.8
183.13811	99.4
184.09659	1.3
186.03130	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	183.1018
Annotation	2-Oxo-delta3-4,5,5-trimethylcyclopentenylacetate
Peak:m/z	Relative Intensity
53.03926	4.8
55.01873	18.6
55.05509	10.3
57.03419	2.4
57.07059	3.7
65.03913	2.7
67.05506	58.2
67.49429	1.5
68.41003	1.5
69.03439	8.9
69.07079	8.1
70.06590	2.4
70.93877	2.9
70.94244	3.0
71.04994	12.9
79.05502	12.8
81.07058	49.5
83.04963	2.7
83.08585	5.9
84.04466	1.4
84.08955	3.8
85.06509	6.9
91.05452	6.7
93.07014	7.0
95.04964	31.3
95.08612	30.3
97.06033	1.6
97.06537	18.3
98.98476	9.2
99.04457	14.1
99.08052	6.1
100.11230	3.5
101.11563	2.8
105.03397	12.9
105.04485	3.2
105.06998	3.8
107.08554	6.5
109.06541	7.6
109.10162	100.0
110.10416	1.5
111.04422	2.3
111.08034	2.3
113.05956	5.0
115.05392	4.2
116.63297	1.6
119.08583	7.5
121.10100	4.5
123.04443	20.0
123.08061	13.2
123.11637	5.2
124.07529	1.6
125.05994	41.4
127.01474	2.3
133.02789	2.3
137.05878	2.5
137.07945	3.5
137.08685	2.0
137.09622	36.9
137.13242	2.2
138.09044	1.8
139.07480	3.2
140.04639	5.2
143.07001	3.9
147.08008	3.6
147.11667	2.3
152.07086	1.3
153.06915	2.2
153.09068	2.8
153.12666	1.6
155.06926	4.4
155.08510	5.0
155.10637	6.3
158.05121	1.5
165.09119	21.1
168.09206	3.6
183.09114	82.4
183.11684	10.0
183.13643	2.4
183.19386	19.6
184.09602	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	183.1018
Annotation	Crocusatin I
Peak:m/z	Relative Intensity
53.03946	11.0
55.01871	29.9
55.05516	11.3
57.03429	3.1
57.07076	4.6
59.04997	1.8
60.72070	1.9
65.03927	2.5
67.05508	62.7
69.03440	10.8
69.07071	18.2
70.06595	4.6
70.65443	5.5
71.04987	18.3
71.99971	1.8
77.03906	2.9
79.05081	2.2
79.05498	32.5
81.03407	2.9
81.07059	63.3
83.04971	4.0
83.08561	2.3
85.06538	7.0
85.27457	1.6
87.04427	2.4
91.05479	7.6
93.07050	14.1
95.04973	67.0
95.08609	35.8
97.02859	2.7
97.06544	26.4
98.98462	20.5
99.04469	18.7
99.08094	7.4
101.95010	3.3
105.03396	22.8
105.04512	4.5
105.07030	8.7
107.04964	4.0
107.08595	12.2
109.02852	2.0
109.06527	22.5
109.10159	100.0
109.29906	1.7
111.04436	2.8
111.08088	4.6
113.05998	14.0
113.09645	2.1
115.05473	3.8
119.08566	7.2
121.10141	5.9
123.04433	39.4
123.08071	23.6
123.11678	8.2
125.06001	86.9
125.09641	5.0
127.01541	3.9
127.07573	6.1
136.67149	1.9
137.06000	5.4
137.07898	6.3
137.09616	45.7
137.13217	2.4
139.07533	3.2
140.04681	12.5
141.06987	4.8
143.07043	11.3
145.77805	2.0
147.11642	4.9
153.07027	4.4
153.09067	8.8
153.33737	1.8
155.04871	5.4
155.07039	6.5
155.08563	13.6
155.10687	7.7
165.05476	2.5
165.07611	2.6
165.09129	49.4
165.12769	7.4
168.09315	6.0
168.79327	1.8
183.04538	3.1
183.06494	3.9
183.08989	69.3
183.10423	14.3
183.11722	15.7
183.13750	7.6
184.09628	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0918
Annotation	Harmane
Peak:m/z	Relative Intensity
53.03934	0.9
55.01870	0.5
55.05503	0.8
57.03452	0.2
57.07064	0.5
59.04998	0.3
65.03918	0.3
67.05505	1.5
69.03435	0.9
69.07066	1.3
70.06576	0.7
71.04996	1.0
71.48650	0.3
77.89574	0.2
79.05514	0.9
81.03416	0.6
81.07057	3.9
83.04986	1.0
85.02865	0.3
85.06561	0.9
91.05463	0.8
93.07067	1.0
95.04975	2.7
95.08620	2.0
97.02919	0.2
97.06511	0.6
98.98469	1.6
99.04466	1.9
99.08086	1.0
105.03413	1.8
105.07034	0.5
107.04884	0.2
107.08592	0.8
109.06514	0.6
109.08443	0.2
109.10152	0.9
111.04432	0.2
111.08050	0.4
113.06018	0.3
115.05459	3.4
119.08547	1.0
121.10175	0.9
123.04448	2.2
123.08098	1.9
123.11705	0.8
123.82405	0.2
124.07574	0.3
125.02369	0.2
125.05993	0.5
125.09638	0.8
127.01536	0.2
127.07536	0.3
129.06999	0.3
137.05986	0.6
137.07916	0.8
137.09621	1.8
137.13249	0.4
139.05716	0.2
139.11166	0.6
140.04666	0.9
141.06978	0.2
142.06546	1.3
147.08069	0.2
147.11690	0.2
153.06969	0.4
155.04921	0.8
155.07051	0.5
155.08603	0.5
155.10643	0.3
165.07301	0.4
165.09123	0.7
165.12784	0.6
168.06831	1.4
168.09248	0.5
175.53313	0.2
182.08383	0.8
183.09184	100.0
184.09567	3.0
188.68752	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.1542
Annotation	(+)-Myrioxazine B
Peak:m/z	Relative Intensity
55.01870	1.0
55.05521	7.8
57.03426	1.6
57.07097	4.0
58.02967	36.5
65.30243	0.7
67.05145	0.7
67.05509	22.3
69.07074	67.6
69.14287	8.2
70.06589	2.5
70.07394	1.2
71.04981	1.1
73.36951	0.8
74.06073	1.0
79.05512	5.9
81.07063	21.9
82.06579	1.1
83.04969	1.8
83.08613	8.3
84.04488	1.3
84.08151	10.3
86.06065	1.4
91.05481	5.3
93.07065	11.1
95.04984	1.6
95.08624	6.2
97.06534	3.5
98.06068	3.8
98.09696	4.0
98.97586	1.6
100.07618	6.3
104.56416	0.8
105.07039	12.9
107.08592	18.8
109.06527	2.2
109.10167	52.7
110.10509	1.1
112.07616	2.9
114.09176	13.5
119.08585	2.3
121.10165	1.4
122.06053	0.7
123.08042	0.9
123.11725	7.8
126.09164	11.4
126.12810	1.7
128.10686	1.8
133.10143	31.4
135.10707	1.2
135.11700	18.3
138.11702	1.3
138.12790	25.4
140.14355	1.4
142.95824	0.7
147.11711	4.9
151.11201	8.3
153.12747	12.5
154.15903	1.7
158.03687	1.1
158.53735	0.9
164.07071	0.9
164.14369	2.6
165.12770	2.5
182.08128	1.1
182.15417	100.0
183.15746	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0814
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
53.03947	4.0
55.01870	1.0
55.05522	5.9
56.02192	0.9
58.02950	2.1
65.03947	4.5
67.05505	21.0
68.05017	1.2
68.06252	0.8
69.03433	1.3
69.07051	3.9
70.02948	1.5
70.65591	2.8
71.04943	1.0
79.05496	31.4
80.05009	3.1
81.07057	39.5
82.06582	1.9
83.04992	1.2
83.08611	3.0
84.08139	3.3
86.02434	5.9
90.04245	1.2
91.05469	8.7
92.05045	1.2
92.05801	3.2
93.05801	7.2
93.07018	2.3
94.06577	2.6
94.07339	1.1
95.04980	9.7
96.04491	2.6
96.08138	1.7
97.05253	1.9
97.06538	9.1
98.06075	4.0
98.09675	3.6
98.97562	1.6
105.04504	1.5
106.06528	1.6
107.04970	1.6
107.07330	4.9
108.04472	2.8
108.05278	3.7
108.08121	66.1
109.06517	7.6
110.06061	4.7
112.07627	1.0
118.03709	2.3
118.06524	2.9
119.04982	4.0
120.04465	1.7
120.05257	2.9
121.05235	3.3
122.06011	3.4
123.04452	6.2
124.05233	0.9
124.07610	1.8
125.06000	32.1
126.05520	30.6
126.06303	0.7
126.09152	17.8
134.06021	1.1
136.04761	2.9
136.07579	100.0
137.05980	3.0
137.09651	1.0
138.05487	3.6
138.06412	0.9
139.03893	1.5
139.06323	1.0
140.04242	4.8
140.07079	1.0
141.05460	1.9
146.03181	2.8
147.04413	1.2
153.05443	1.2
153.07870	2.1
154.08632	28.9
164.04285	13.2
164.07066	86.7
165.05470	2.3
165.07391	1.5
165.09093	1.2
171.55693	1.3
182.08128	87.1
182.15491	0.9
183.09073	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1225
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
55.01870	2.0
55.05504	2.3
57.06842	1.9
57.07081	22.7
59.05007	2.8
67.05497	2.0
69.03404	1.9
69.07050	3.3
69.13901	8.0
69.14326	6.9
71.04981	1.6
79.05491	10.9
81.03415	4.2
81.07044	3.8
83.04986	43.1
84.04492	2.1
91.05475	4.4
93.07051	9.8
95.04983	14.8
95.08628	1.8
96.76325	1.4
97.06535	22.6
98.20782	2.7
98.89791	8.1
98.97589	17.0
99.05584	7.2
104.30818	1.4
105.07023	6.1
107.04948	3.3
107.08590	11.0
111.07993	1.6
113.70356	1.4
116.97309	1.6
116.98648	12.5
117.07026	2.4
118.20656	1.5
119.08551	3.5
121.06510	2.7
121.10128	13.0
122.06974	1.4
125.06002	61.8
130.07765	2.5
134.99660	6.3
135.04419	3.4
135.08107	1.9
135.11684	4.8
136.07591	1.9
139.05797	1.6
139.09784	1.7
139.92351	2.5
140.00229	1.9
145.10156	11.5
163.03931	7.4
163.11191	100.0
164.11665	1.6
166.07777	1.7
181.06186	1.5
181.08496	2.4
181.09862	2.4
181.10782	3.0
181.12230	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0815
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
53.03708	1.1
53.03946	3.2
55.05505	4.5
58.02962	1.5
65.03934	4.9
67.05183	1.5
67.05511	18.5
68.05031	1.5
69.03439	1.4
69.07070	5.7
69.54110	7.7
70.02957	2.0
75.07542	1.2
79.05504	35.3
80.05019	2.9
81.07067	42.2
82.02905	1.4
82.06592	1.6
83.08608	1.7
86.02422	5.0
91.05494	5.5
92.05013	1.9
93.05781	7.7
93.07034	1.8
94.06583	2.2
94.83750	1.3
95.04988	6.5
96.04481	2.6
97.05259	1.4
97.06538	8.9
98.06044	4.3
98.09686	3.3
98.21426	1.8
106.06551	1.9
107.07327	4.4
108.04485	2.7
108.08131	60.8
108.23203	1.2
109.06527	7.5
110.06027	3.3
118.06537	3.6
119.04917	1.5
120.04464	2.3
121.05189	2.2
122.06036	3.2
123.04449	3.5
124.07655	1.7
125.06013	29.6
126.05534	32.1
126.06332	1.2
126.09165	19.9
134.05988	1.6
136.07594	100.0
138.05502	2.8
153.07880	4.0
154.08640	25.8
164.07088	87.0
164.10744	3.0
182.08150	91.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
55.01853	0.8
55.05508	3.4
56.96556	1.7
57.07079	22.5
59.04994	3.3
67.05496	1.0
69.03408	1.0
69.07067	5.2
71.49074	1.4
79.05505	11.5
81.03423	6.6
81.07064	4.6
83.04989	52.2
91.05471	3.8
93.07058	7.6
95.04979	15.8
95.08630	1.2
97.05924	1.7
97.06540	26.6
98.97593	18.2
105.07008	5.3
107.04935	2.0
107.08598	12.9
109.06507	1.7
116.97258	1.1
116.98634	11.4
117.07012	2.4
119.08575	4.0
121.06481	4.4
121.10160	14.5
123.08084	1.3
125.06002	64.8
130.07803	2.7
134.99695	5.2
135.08055	1.5
135.11694	5.5
140.00175	1.5
145.10139	13.4
158.01218	1.5
163.03877	2.4
163.11192	100.0
164.11504	2.7
165.07036	1.4
166.07721	1.6
181.06183	1.1
181.08719	1.2
181.10193	4.2
181.12239	30.0
181.15680	1.0
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
53.03955	1.5
55.01862	1.5
55.05488	2.0
56.96548	1.5
57.07075	24.7
59.04993	2.2
67.05511	2.2
69.03419	1.6
69.07048	3.3
71.21786	1.9
79.05491	10.6
81.03419	6.9
81.07058	5.1
83.04980	50.3
85.06495	1.0
91.05470	3.4
93.07044	8.2
95.04963	16.5
95.08600	1.3
97.02910	1.0
97.06532	27.0
98.97583	27.0
105.07029	6.4
107.04935	2.3
107.08604	12.0
109.06480	2.3
116.98615	11.4
117.07010	3.2
119.08582	3.3
121.06493	2.9
121.10148	15.8
124.35702	0.9
125.05993	67.3
130.07742	1.7
134.99649	4.0
135.08054	2.2
135.11745	5.0
140.00163	1.6
145.10127	10.6
148.08881	1.2
158.01221	1.1
163.03906	1.2
163.11180	100.0
164.11462	1.7
166.07751	2.9
181.02641	1.1
181.08699	1.1
181.10165	3.7
181.12218	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1223
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03938	1.4
55.01861	1.4
55.05511	2.0
56.96566	2.2
57.07077	19.7
59.04998	2.9
60.15039	1.0
67.05508	2.5
69.03421	2.8
69.07068	3.4
69.46833	6.3
69.63898	1.0
72.08138	0.9
76.40244	1.0
79.05489	11.4
81.03424	6.6
81.07056	4.5
83.04983	47.5
84.04474	1.2
85.06544	1.6
91.05489	5.1
93.07056	9.0
95.04972	17.0
95.08596	1.1
97.06538	23.2
98.21576	1.8
98.97592	24.6
105.04551	1.0
105.07052	6.6
107.04969	2.7
107.08596	10.7
109.06521	1.6
110.06039	1.1
111.94686	1.0
116.97304	1.2
116.98620	16.8
117.07024	2.4
119.08586	4.8
121.06505	6.0
121.10145	12.4
123.08054	1.1
125.05997	59.9
130.07765	1.8
132.92935	0.9
134.99669	8.4
135.04474	1.5
135.08009	1.3
135.11690	7.3
140.00145	2.2
145.10147	11.0
148.08821	1.2
154.08652	1.3
158.01308	1.7
163.03961	2.0
163.11186	100.0
164.11569	2.1
165.07066	1.4
166.07791	3.3
181.02737	1.1
181.06248	1.5
181.10564	2.8
181.12219	29.7
182.08270	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
52.27660	1.0
53.03951	2.3
55.01865	1.9
55.05505	2.3
55.59848	1.0
56.96569	2.1
57.03442	1.0
57.07081	21.9
59.04990	2.2
67.05505	2.0
69.03436	1.5
69.07076	5.0
70.89013	2.2
79.05491	8.9
81.03429	6.5
81.07060	5.8
83.04493	2.4
83.04984	45.8
91.05466	4.5
92.72915	1.1
93.07034	9.5
95.04970	17.9
95.08595	1.3
97.06538	25.6
98.97589	25.4
105.07037	5.2
107.04961	4.2
107.08602	12.3
116.98632	17.0
117.07060	2.6
119.08599	3.5
121.06514	4.6
121.10153	15.8
122.09672	1.4
125.06003	67.9
134.99655	5.7
135.08067	1.3
135.11684	5.8
140.00195	2.5
145.10130	15.1
153.06924	1.1
153.10168	1.2
154.08699	1.2
158.01303	1.7
163.03886	2.5
163.11188	100.0
165.07022	5.3
166.07761	8.7
181.10127	14.9
181.12241	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	181.0497
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
50.43027	0.3
51.30466	0.3
53.03958	0.7
53.98095	0.2
60.06147	0.3
61.46045	0.2
63.02378	0.4
65.03951	0.5
70.93462	0.6
77.03943	0.4
79.05498	3.8
89.03925	19.9
91.05489	1.8
93.03414	0.5
95.04987	0.8
98.97585	0.5
105.04474	0.3
105.31969	0.3
107.04965	6.3
111.04456	0.9
117.03390	23.6
119.04940	0.8
121.06541	0.3
135.04428	39.7
136.04788	0.3
137.06038	0.4
139.03929	1.4
145.02859	26.8
145.03828	0.9
160.89902	0.3
163.03915	100.0
164.04285	1.3
164.05466	0.3
166.20290	0.3
181.04968	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0859
Annotation	80638-48-8
Peak:m/z	Relative Intensity
53.03957	2.2
55.01878	2.0
55.05523	2.0
56.96563	0.6
57.03430	0.6
57.07076	4.4
58.10935	0.4
59.04988	0.6
64.03141	0.4
65.03939	1.8
66.04704	0.5
67.05515	2.7
67.62698	0.3
68.87326	0.3
68.99786	0.6
69.03418	1.3
69.07069	2.5
70.01873	1.4
70.02218	0.6
71.04980	0.9
77.03922	0.8
78.04713	2.1
79.05493	6.6
80.06265	0.5
81.03418	2.4
81.07056	3.8
83.04495	0.5
83.04987	9.3
83.08633	0.9
85.02917	0.5
85.06574	0.8
89.03918	2.3
90.04678	1.2
91.05487	11.0
92.06265	0.6
93.03407	1.4
93.07045	7.6
94.04218	0.4
95.04971	8.7
95.08600	1.4
97.02866	0.7
97.06538	5.5
97.10185	0.9
98.20850	0.6
98.97597	5.9
99.04464	0.6
103.05474	1.5
105.03387	0.7
105.04514	0.5
105.07040	2.5
106.04184	2.6
107.04964	6.5
107.08609	6.2
108.05730	1.3
109.06522	3.1
109.10166	0.7
110.03672	0.4
111.04440	1.4
111.08076	0.8
116.98627	3.2
117.03380	0.6
117.06989	0.9
118.04128	0.6
119.04943	1.0
119.08576	1.8
120.02064	0.6
120.05723	1.1
121.02885	0.8
121.06522	7.4
121.09339	0.5
121.10155	8.6
122.03649	0.9
123.04448	5.7
123.08035	1.3
123.11684	0.5
125.05077	0.7
125.05994	11.9
125.09612	0.5
130.07779	0.5
134.03690	0.8
134.99718	1.0
135.01494	0.4
135.04453	4.0
135.08060	3.4
135.11678	2.9
136.05240	2.3
136.07565	2.5
137.05978	14.7
137.11827	0.4
138.06767	5.5
139.03903	1.1
139.07526	0.9
139.11230	0.8
145.02866	0.4
145.10149	2.5
148.05202	44.7
149.02292	0.5
149.06023	3.6
151.03922	6.1
151.07529	0.6
153.05521	0.5
153.06786	0.3
153.09106	0.9
163.03914	3.4
163.07591	0.8
163.11194	21.0
163.14751	0.6
164.07074	2.1
165.05473	1.5
166.06270	2.2
166.07631	0.7
167.03285	0.5
181.05342	2.3
181.08604	100.0
182.09056	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1432
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
50.38061	1.2
53.03935	3.2
53.97988	1.3
55.01875	7.7
55.05511	9.9
56.96571	9.6
57.03432	7.1
57.07068	1.8
59.04991	1.4
63.94431	1.1
64.38107	1.0
65.03923	2.9
67.05506	36.9
69.03423	5.1
69.07072	10.2
70.40789	2.7
70.41158	2.1
71.04978	4.0
75.77298	1.0
76.48664	1.0
77.03922	1.2
79.05494	32.5
81.07056	100.0
82.07396	1.7
83.04984	8.1
83.08599	4.5
85.06532	8.5
89.03909	1.9
91.04900	2.3
91.05482	44.7
92.05810	1.1
93.07044	45.2
94.06528	1.7
95.04977	6.3
95.08611	69.9
96.08890	1.1
97.06537	15.6
98.21457	1.3
99.08098	8.6
103.05473	1.6
105.03391	3.0
105.07037	51.2
107.08600	23.1
107.59974	1.2
108.04491	2.0
109.06530	6.9
109.10146	9.5
111.08065	7.0
117.06970	2.0
119.04951	13.8
119.08583	58.5
119.95254	1.2
120.88244	1.1
121.06503	3.4
121.10147	16.5
123.04431	16.4
123.08066	15.2
123.11687	2.2
129.06038	1.2
131.05037	1.2
133.02855	10.9
133.06497	3.8
133.10133	42.6
134.05989	1.2
135.04395	4.4
135.11691	33.8
135.37675	1.1
136.02148	1.5
136.05176	2.0
137.05984	2.7
137.09642	6.2
137.13240	2.5
143.08427	1.3
147.04416	19.8
151.03903	4.6
151.07530	3.3
151.11224	2.6
161.04797	1.1
161.05902	5.7
161.09634	4.0
161.13263	84.4
162.09122	1.6
162.13632	1.7
164.04793	1.3
177.05473	6.8
179.03412	42.0
179.06931	9.3
179.08476	2.3
179.10748	5.9
179.14310	92.2
180.10085	1.7
180.14581	1.5
195.47693	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.034
Annotation	6,7-Dihydroxycoumarin 
Peak:m/z	Relative Intensity
51.02380	0.6
53.03941	1.0
55.01876	0.5
55.21689	0.3
57.03440	0.5
58.51155	0.3
65.03937	0.4
65.48246	0.3
67.05495	1.4
68.99779	0.8
69.56335	0.9
69.56759	1.3
77.03934	2.0
79.05496	1.8
81.03399	0.5
81.07045	0.5
83.05035	0.3
84.08190	0.3
88.24477	0.4
89.03929	2.9
91.05482	0.9
92.84092	0.3
93.07037	0.5
95.04967	2.2
95.08590	1.0
101.10468	0.3
101.73711	0.4
105.03397	8.3
105.04482	0.5
105.07046	0.7
107.04939	0.9
109.02859	0.7
109.10061	0.4
112.01324	0.3
117.03396	1.3
119.04971	0.6
119.08594	0.7
123.04437	41.0
133.02864	31.4
133.10126	0.7
135.04411	4.7
137.06012	0.4
147.04430	0.8
151.03923	10.5
161.02347	1.3
161.05933	0.4
161.09601	0.5
161.13254	0.4
174.05383	0.3
179.03404	100.0
179.14325	0.5
180.03746	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0703
Annotation	ETHYL BENZOYLFORMATE
Peak:m/z	Relative Intensity
51.02380	0.9
53.03949	4.6
55.01869	1.7
55.05499	1.9
56.08333	0.3
57.03439	16.1
57.07081	0.7
60.77934	0.3
65.03930	0.4
67.05510	4.0
68.99813	0.2
69.03419	1.2
69.07071	1.9
70.06603	0.3
71.05002	0.6
71.08609	0.3
71.48820	0.4
76.76615	0.3
77.03909	2.3
77.09757	0.3
79.05492	20.7
81.03430	0.7
81.07064	3.9
83.04977	2.6
83.08606	0.5
84.08142	0.3
85.06532	0.6
89.03934	1.3
91.05483	5.5
93.07051	2.5
94.06571	1.0
95.04968	7.0
95.08609	8.1
97.06531	0.5
99.08105	0.3
103.05416	0.3
105.03393	100.0
105.04536	2.6
105.07024	4.9
106.03683	1.3
107.04974	0.6
107.08588	2.8
109.06523	2.8
109.10155	3.8
115.05451	0.3
117.03437	0.6
117.07016	0.5
119.04947	3.3
119.08591	3.1
121.06509	0.8
121.10158	2.8
123.04433	20.8
123.08063	4.2
123.11689	0.7
133.02859	8.3
133.06491	0.9
133.10120	3.1
135.04393	1.8
135.08064	0.4
135.11723	1.2
136.02191	0.3
136.05193	0.4
137.05986	3.8
137.09634	2.3
137.13226	0.5
147.03381	0.3
147.04428	5.0
151.03899	1.4
151.07547	0.8
151.11177	0.6
151.14821	1.9
152.06976	0.3
161.02332	1.8
161.05981	1.2
161.09610	1.2
161.13268	2.0
179.03406	24.4
179.07036	14.4
179.08308	0.3
179.10527	2.8
179.11984	0.4
179.14287	8.1
180.03793	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
50.45446	1.3
51.15934	1.0
53.03950	2.9
55.01864	4.0
55.05507	8.2
57.03437	7.6
57.07053	1.8
65.03918	2.1
67.05510	37.4
69.03419	3.7
69.07072	10.4
69.92787	2.6
69.93152	5.1
71.04977	4.0
77.03889	1.7
79.05070	1.9
79.05498	26.7
81.07059	100.0
82.07370	1.6
83.04990	8.9
83.08620	3.3
85.06544	8.3
91.05487	31.5
93.06483	2.3
93.07047	38.6
94.06602	1.9
95.04961	5.3
95.08612	75.7
97.06538	19.2
98.06882	1.6
98.21441	1.6
99.08110	8.8
103.05448	1.5
105.03402	1.6
105.07034	39.9
107.08585	19.5
108.04501	1.7
109.06506	8.0
109.10168	6.8
111.08080	7.4
115.05418	1.4
117.07013	2.7
119.04922	4.1
119.08589	56.1
121.10143	18.5
123.04424	8.5
123.08095	11.3
123.11702	2.1
131.08565	1.9
133.02818	4.3
133.06528	1.9
133.10136	35.7
135.04424	1.7
135.11699	32.2
135.12712	1.9
137.06023	1.4
137.09575	4.9
137.13234	2.5
147.04433	6.3
151.11241	2.4
161.06023	1.5
161.13261	88.9
162.09135	2.1
162.13637	2.0
179.03410	23.4
179.07001	2.5
179.10658	2.9
179.14316	96.2
180.10202	1.3
190.57697	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.1228
Annotation	4-(Diethylamino)benzaldehyde
Peak:m/z	Relative Intensity
50.21957	0.3
55.01874	0.5
56.96561	1.8
59.93120	0.5
60.88264	0.5
61.45089	0.4
67.05492	0.8
68.99799	0.8
69.03434	1.0
70.06602	0.5
71.47113	0.5
77.03948	0.6
77.94138	0.4
79.05501	1.3
80.05020	0.8
81.07065	0.6
83.69817	0.4
84.08125	0.4
85.02886	0.5
87.22277	0.4
88.02238	1.1
89.03905	2.0
90.04258	1.5
91.05478	3.3
92.05019	0.7
94.06571	0.6
95.04977	1.3
97.02903	0.4
98.97582	1.0
98.98476	0.6
100.03996	0.9
104.05015	0.8
105.03414	1.3
105.07038	2.8
106.06534	0.6
107.04955	1.1
107.08579	0.6
108.04434	0.6
109.02846	0.4
115.05463	0.5
116.98608	0.6
117.03373	1.0
117.05751	0.5
117.07029	1.4
118.03707	2.5
118.06553	11.7
118.96772	4.2
119.04946	1.3
119.07336	10.3
120.46864	0.4
121.06491	0.5
122.06049	1.0
123.04437	4.4
128.98665	0.5
130.06503	0.5
132.04433	0.8
132.08099	2.2
133.02856	3.4
133.06519	0.8
133.99115	1.0
134.09657	65.7
135.04405	1.5
135.09999	1.0
136.07570	0.5
137.05963	1.7
145.02812	0.6
146.03172	3.9
147.04393	1.0
150.05367	2.0
150.06487	0.9
150.09077	1.0
151.03893	1.7
151.07594	0.5
154.94185	0.4
154.96460	1.1
160.03865	0.9
160.07510	0.8
160.11211	2.0
161.02345	1.8
162.09154	2.3
163.09964	1.4
177.98103	1.3
178.04903	10.0
178.08850	3.6
178.12276	100.0
179.03403	10.8
179.06964	0.7
179.12675	2.8
197.01192	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0339
Annotation	Esculetin
Peak:m/z	Relative Intensity
51.02378	0.5
53.03943	0.7
55.01867	0.6
65.22048	0.3
67.05517	1.8
68.17953	0.3
68.99798	0.8
69.03434	0.4
70.06620	0.3
70.60721	0.4
70.61065	0.7
71.61494	0.3
77.03935	1.4
79.05489	1.0
79.79731	0.4
81.03429	0.5
81.07064	0.4
84.08134	0.4
89.03912	2.8
91.05495	1.0
93.07013	0.4
93.13216	0.3
95.04980	2.5
95.08614	0.4
105.03397	4.3
105.04523	0.4
105.07038	0.8
107.04957	2.2
109.02899	0.7
117.03398	1.7
119.04952	0.9
123.04433	40.3
123.08047	0.6
124.04762	0.7
133.02863	23.6
133.10143	0.5
135.04414	7.6
137.06012	0.5
137.09554	0.4
147.04443	0.9
151.03914	9.2
151.07558	0.4
161.02368	1.1
179.03401	100.0
179.14326	0.7
180.03735	1.3
185.58665	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.7
55.01863	0.9
55.05515	15.1
57.07063	2.8
65.03933	2.1
67.05508	44.1
67.55766	0.8
68.60136	0.8
69.07071	10.7
71.48441	1.6
78.04659	1.0
79.05498	67.3
80.05840	1.0
81.03438	1.3
81.07063	41.6
83.08636	8.1
88.02235	0.9
89.03919	10.4
91.04921	0.9
91.05488	19.4
93.07050	84.0
95.04974	5.0
95.08611	50.0
97.06532	2.0
97.10167	2.7
98.98470	29.0
99.08047	0.9
102.09669	1.0
103.05462	2.7
105.04504	1.5
105.07051	6.7
107.04966	2.8
107.08602	41.7
109.06510	2.9
109.10162	21.2
117.03401	12.1
117.07020	4.1
119.08570	2.4
121.02880	1.3
121.06564	4.4
121.10152	100.0
123.11707	1.2
129.07034	1.0
131.04964	1.1
131.08566	6.8
133.06464	2.0
133.10138	7.4
134.03622	3.1
135.04404	1.9
135.08060	2.4
135.11691	38.2
145.02855	16.4
147.04404	1.0
149.02342	4.1
149.06010	5.6
149.13246	6.4
159.08049	1.4
159.11691	10.1
177.05426	12.7
177.06673	1.7
177.08952	1.6
177.10318	2.2
177.12779	20.9
177.16399	44.7
178.05002	2.6
178.08618	2.5
178.16743	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1639
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
52.65314	0.8
53.03942	2.3
55.01876	1.2
55.05273	1.1
55.05516	14.6
57.02873	1.0
57.07062	3.2
62.97701	0.7
65.03946	2.2
67.05511	51.2
69.07066	10.4
71.08588	1.0
71.29419	1.6
75.39002	0.9
77.03934	1.2
79.05498	70.3
81.03403	1.5
81.07061	40.0
82.07355	1.1
83.04984	1.1
83.08215	0.9
83.08628	7.9
88.02200	1.7
89.03910	5.4
91.05486	19.7
93.07050	89.2
94.07379	1.2
95.04958	4.2
95.08614	49.8
96.08932	1.6
97.06525	1.5
97.10172	3.3
98.98466	14.1
105.04520	1.9
105.07061	6.4
107.08602	43.1
109.06510	1.1
109.10161	19.8
117.03392	6.9
117.07048	4.2
119.08611	1.4
121.06518	2.1
121.10152	100.0
122.10497	1.2
131.08586	4.7
133.10178	5.6
134.03592	1.4
135.08037	2.6
135.11700	39.9
145.02861	8.2
149.02402	1.3
149.05984	3.4
149.13266	4.2
159.11707	7.9
177.05440	6.5
177.06650	1.4
177.08986	0.9
177.10391	1.4
177.12772	23.2
177.16400	51.8
178.04900	1.1
178.08672	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1639
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03948	2.9
55.05514	19.1
56.42499	1.9
60.01698	1.8
66.57269	1.9
67.05497	15.1
69.07072	31.0
71.49052	2.8
74.02085	2.1
77.76097	1.8
78.74978	2.6
79.05489	30.9
81.06594	3.7
81.07055	66.9
83.08622	15.3
88.02226	4.6
89.03902	7.8
90.81956	2.0
91.05476	13.0
93.07047	56.6
94.06616	1.9
95.04945	3.2
95.08605	56.7
97.10173	5.2
97.17081	2.0
97.52307	1.9
98.98468	33.6
103.05463	2.3
105.07021	9.9
107.08594	96.8
107.40721	2.0
109.10152	18.8
117.03365	9.9
117.06918	3.1
119.08586	3.6
121.02904	2.5
121.06483	4.5
121.10146	100.0
131.08560	2.4
133.10141	2.7
133.82932	2.0
135.04411	3.8
135.08081	2.7
135.11681	20.4
136.08669	2.8
145.02849	12.3
149.02345	5.0
149.05998	6.1
149.13240	6.7
159.11739	2.3
177.05453	9.3
177.06725	2.1
177.08966	4.1
177.10263	6.5
177.12714	5.0
177.16394	79.6
178.05040	2.8
178.08644	5.5
181.19037	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.164
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
51.02375	1.5
53.03942	4.1
55.05517	16.9
57.07084	1.9
61.89546	0.8
65.03944	1.9
67.05508	51.6
69.07072	12.9
71.28274	1.8
79.05498	70.4
81.03394	0.9
81.07062	40.2
83.08625	9.6
89.03930	6.4
91.05487	23.2
93.07050	84.7
94.07374	1.3
95.04998	4.9
95.08614	57.1
97.06549	1.6
97.10172	2.9
98.98473	25.8
103.05481	2.0
105.04535	1.2
105.07042	8.3
107.04961	1.2
107.08601	46.4
109.06525	1.2
109.10161	21.7
111.08066	0.9
117.02634	1.0
117.03399	10.1
117.06973	4.2
119.04948	1.0
119.08540	2.1
119.44327	0.8
121.06506	2.7
121.10152	100.0
122.10449	1.5
125.47308	0.8
131.04990	0.9
131.08574	6.5
133.06419	1.2
133.10127	5.5
134.03629	2.0
135.04453	2.0
135.08054	2.0
135.11700	37.5
135.12737	1.9
145.02855	10.4
149.02347	3.5
149.06001	5.6
149.09570	1.2
149.13237	4.8
159.08099	1.0
159.11699	9.4
162.03056	1.9
177.05453	10.9
177.06682	1.0
177.09012	1.9
177.10390	1.8
177.12793	19.3
177.16397	51.9
178.05006	1.6
178.08543	1.4
178.13194	0.9
178.16742	1.7
188.31137	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.9
55.01872	3.1
55.05518	14.0
57.07073	2.2
62.80610	1.4
65.03922	2.5
67.05507	46.3
69.07069	13.3
71.28461	1.5
71.28787	1.9
74.99790	1.1
78.04713	2.1
79.05498	65.0
81.03412	1.7
81.07061	43.2
82.06529	1.6
83.04971	1.5
83.08602	7.8
88.02244	2.4
89.03924	14.6
91.05481	26.4
93.07048	84.8
95.04968	6.5
95.08618	47.2
97.06545	3.4
97.10156	2.4
98.98473	52.6
103.05486	6.6
105.04533	1.5
105.07040	8.0
107.04922	3.2
107.08599	44.8
109.06540	2.8
109.10165	17.3
117.03394	18.6
117.07025	4.7
119.08572	3.3
121.06522	10.7
121.10150	100.0
131.04945	2.8
131.08571	7.8
132.04472	1.3
133.06499	2.6
133.10123	8.5
134.03653	23.0
135.04445	1.9
135.08060	2.9
135.11697	30.6
144.05696	1.3
145.02870	25.5
147.04424	2.2
149.02391	8.3
149.06029	10.3
149.09601	2.3
149.13239	4.8
150.05495	1.9
159.08081	2.0
159.11656	8.8
162.03148	13.2
163.03831	2.2
177.05464	41.3
177.06645	2.0
177.09108	4.9
177.10410	2.4
177.12762	25.6
177.16389	52.5
178.04941	2.9
178.08652	4.2
186.05464	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1274
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03947	10.6
55.01859	5.0
55.05513	29.7
57.03429	7.4
57.07070	4.8
65.03912	3.3
67.05508	16.1
69.03424	9.5
69.07078	34.3
71.04981	6.4
71.37784	4.1
72.98658	1.7
77.03955	2.0
78.04706	3.3
78.47466	1.8
79.05496	51.6
81.07063	40.0
83.04970	5.6
83.08634	9.5
83.35939	2.0
85.06535	2.5
88.22213	1.8
89.03923	14.9
91.04919	2.0
91.05490	53.5
93.07052	100.0
95.04996	9.9
95.08617	17.3
97.06528	3.6
98.98470	30.7
103.05469	5.7
105.07037	37.1
106.04160	5.3
107.04935	11.6
107.07882	3.5
107.08607	64.9
109.06559	10.7
109.10133	3.1
111.87952	1.8
115.05452	7.3
116.06270	2.3
117.03382	23.9
117.07025	35.0
119.00654	2.3
119.04939	3.2
119.08598	22.2
121.02901	2.7
121.06506	37.6
121.10152	28.2
123.08058	3.3
128.01152	3.8
129.06984	8.3
130.07756	7.3
131.04886	2.5
131.08577	37.5
133.06499	8.6
133.10088	11.5
134.03610	6.1
134.04875	1.8
135.08066	16.1
135.11707	10.9
142.00900	12.4
142.07724	1.8
144.09340	10.1
145.02847	27.2
148.08818	3.5
149.02356	5.6
149.05997	14.6
149.09604	5.5
149.13271	16.7
151.01418	8.7
153.51703	5.2
159.11713	45.6
162.03142	5.2
162.52225	3.5
177.05495	48.2
177.09026	4.8
177.12775	59.4
177.16364	6.1
178.04993	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0912
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
50.18895	0.3
53.03957	0.7
53.58409	0.3
55.01862	0.7
55.05501	1.1
65.03944	0.6
67.05495	1.0
68.31884	0.3
69.03406	1.0
69.07064	1.5
69.52127	2.2
78.04707	1.0
79.05503	2.8
80.05022	0.3
81.03404	0.6
81.07066	1.8
83.04974	0.5
83.08591	0.4
89.03915	5.6
91.05486	8.2
93.03396	0.3
93.06495	0.4
93.07055	6.1
95.04968	1.1
95.08601	2.6
98.97878	0.5
98.98477	7.5
103.05505	2.4
105.03391	0.5
105.07040	3.7
106.04182	3.0
106.07831	0.6
107.04967	1.7
107.07875	0.5
107.08598	5.1
108.05778	0.3
109.10168	0.9
115.05457	5.4
116.06261	4.0
117.03393	8.9
117.07030	12.5
119.04948	2.0
119.08601	1.6
121.06520	6.8
121.09296	0.3
121.10137	6.1
129.07024	0.3
131.04918	1.4
131.08572	3.5
133.06503	4.4
133.10124	1.0
134.03665	2.7
134.07272	3.4
135.04431	1.3
135.08060	2.3
135.11716	1.7
144.05739	1.9
144.09369	0.4
145.02855	10.2
145.06502	2.9
146.07294	0.4
147.04402	1.0
147.08101	0.3
149.02339	1.4
149.05984	5.8
149.09576	2.3
149.13228	0.9
150.05473	0.5
159.08047	1.2
159.11658	1.7
161.05975	1.1
162.03146	1.9
162.06769	12.2
162.10429	0.5
163.03873	0.7
177.05566	12.5
177.09114	100.0
177.16377	2.6
178.04965	1.8
178.09595	1.9
193.04469	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0549
Annotation	1,3,8-Naphthalenertriol
Peak:m/z	Relative Intensity
50.40547	0.6
53.03948	4.1
55.01876	3.8
55.05517	1.2
65.03954	1.3
67.05508	1.8
68.99796	5.5
69.07084	1.8
70.08119	2.1
77.03923	1.0
77.41127	0.8
78.04710	1.7
79.05501	2.5
81.03430	1.5
81.07064	3.7
81.62489	0.6
89.03922	7.2
91.05494	16.9
93.07054	17.9
94.90109	0.7
95.04959	3.5
95.08636	1.9
98.20862	0.9
98.48752	0.6
98.98476	23.7
103.05480	16.6
105.03457	1.1
105.04531	2.6
105.07066	2.5
106.04184	0.8
107.04994	1.5
107.08628	3.7
109.06567	0.9
117.03392	9.8
117.07043	1.4
121.02871	1.4
121.06522	25.9
121.10162	4.8
123.04451	2.1
126.15579	0.6
131.04936	1.0
131.08618	2.5
132.04524	0.8
133.06526	1.2
133.10158	0.9
134.03650	88.0
135.04292	1.3
135.08035	1.1
135.11722	1.4
135.92671	1.7
142.00899	1.3
145.02864	14.3
145.97385	0.7
147.04433	2.1
149.02356	4.2
149.05986	7.4
151.01482	0.7
153.93732	1.5
159.04405	0.7
159.08017	0.7
159.11746	1.3
162.03142	56.3
177.05482	100.0
177.08960	1.8
177.10312	1.9
177.12663	4.2
177.16435	2.0
178.04745	0.8
178.05852	2.2
178.08646	2.2
186.05444	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0548
Annotation	1,3,8-Naphthalenertriol
Peak:m/z	Relative Intensity
53.03944	1.3
55.01852	0.4
65.03943	0.4
66.04720	0.4
68.84410	0.3
70.00086	0.4
70.54343	1.2
78.04718	1.0
79.05498	3.0
89.03928	1.0
90.04708	1.2
90.33797	0.3
91.05479	3.8
93.07030	0.8
95.04980	1.2
95.08611	0.8
98.98495	0.5
99.24530	0.3
102.31787	0.3
103.05478	3.1
105.04552	0.6
105.07033	1.9
106.04155	0.5
107.08624	0.6
117.03379	0.6
118.04174	7.1
118.04945	0.6
121.06513	46.0
121.10133	0.8
122.06873	0.7
122.28396	0.4
132.43547	0.3
133.06503	24.4
134.03645	2.2
145.02841	1.2
149.06000	3.3
151.59013	0.3
162.03113	2.8
177.05486	100.0
177.16415	0.5
178.05840	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	176.0109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37137	0.8
58.37344	0.7
66.59482	1.1
70.26257	1.4
70.26656	2.2
89.13464	0.8
132.02119	100.0
133.02437	1.0
174.86360	1.0
176.01091	22.5
177.01346	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0548
Annotation	1,3,8-Naphthalenertriol
Peak:m/z	Relative Intensity
50.95548	0.5
53.03952	1.8
55.01874	1.3
55.05515	1.2
65.03941	8.4
67.05519	1.6
68.99794	2.2
69.07066	2.6
70.24811	1.0
70.25203	0.9
77.03953	0.8
78.04733	2.1
79.05512	4.1
81.03445	1.3
81.07063	2.4
83.08627	1.0
86.70589	0.4
89.03918	4.8
91.05489	63.4
92.05820	1.0
93.07055	8.3
94.43549	0.5
95.04965	2.6
95.08611	3.9
97.10153	0.5
98.98467	7.0
103.05489	3.2
105.03447	0.6
105.04523	1.1
105.07014	2.3
106.04172	3.8
107.04993	1.3
107.08604	7.4
109.02908	0.7
109.06517	0.8
109.10159	1.9
117.03394	6.3
117.07072	0.9
119.04951	48.9
119.08583	1.0
120.05313	1.0
121.06513	12.1
121.10149	9.1
129.07082	0.5
131.04971	1.5
131.08568	2.0
133.10193	1.0
134.03662	5.5
135.04451	1.8
135.08089	1.1
135.11684	2.4
145.02849	8.5
146.03554	0.5
147.04422	78.9
148.04764	1.8
149.02359	0.8
149.05991	27.3
149.09598	0.9
149.13255	1.2
150.06314	0.7
159.04419	1.5
159.08141	1.2
159.11723	1.0
162.03142	15.7
163.03900	2.4
165.05495	7.3
172.59773	0.5
175.05052	5.8
177.05484	100.0
177.12784	3.1
177.16396	6.1
178.05954	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	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
55.05516	9.0
57.07068	1.7
58.62848	0.9
67.05497	2.4
69.07074	24.3
71.22124	1.2
71.22461	2.1
75.33113	1.0
79.05476	2.5
81.07088	5.7
83.08617	4.0
91.05477	9.7
93.07049	3.5
94.97246	1.0
95.08615	5.3
98.98460	4.7
105.07035	26.8
107.08604	3.8
117.07026	4.5
118.07790	1.3
119.08589	85.5
121.10181	2.5
131.08586	3.2
132.09329	1.0
133.10139	76.5
145.10126	6.2
147.11716	11.7
160.12482	4.2
173.13283	2.7
175.03902	2.4
175.14828	100.0
176.15167	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	175.1481
Annotation	Ionene
Peak:m/z	Relative Intensity
53.47128	0.5
55.01890	0.5
55.05511	3.1
56.96567	1.8
57.07054	0.6
60.05654	0.9
66.79632	0.5
67.05499	0.9
69.07067	7.2
70.06602	2.4
70.48191	0.7
70.48558	1.5
72.08195	0.6
77.03980	0.6
78.22465	0.5
79.05510	1.4
79.65190	0.5
81.07074	3.0
82.33415	0.6
83.08607	1.4
91.04971	0.8
91.05484	7.2
92.90092	1.5
93.07041	2.0
95.08618	1.8
97.02876	1.0
98.98473	40.1
98.99915	1.1
102.04729	0.5
103.01279	1.5
103.05496	0.9
105.07040	11.9
107.08587	1.9
108.00480	3.2
112.01788	5.4
112.99689	1.3
115.05467	0.7
116.07088	0.8
117.01009	27.5
117.07042	2.0
117.51192	2.2
119.05006	0.6
119.08589	33.7
121.02312	1.6
121.10119	1.1
122.00173	1.4
122.50330	0.6
126.01524	27.9
126.51707	2.5
127.03819	0.6
128.51788	1.4
129.07040	1.3
130.04167	0.7
130.06540	0.5
131.00723	12.5
131.08556	2.5
131.50900	1.4
133.10135	26.8
133.50931	1.0
133.92865	1.2
134.10432	0.6
135.02036	2.0
137.52309	1.3
140.01253	100.0
140.51419	14.9
141.01462	1.2
142.04146	0.7
142.07794	0.8
142.51492	3.0
145.10130	2.2
147.04395	1.5
147.11684	4.7
149.01785	96.1
149.51949	14.3
150.02092	1.1
151.52051	24.9
151.93918	1.9
152.02223	5.2
157.10136	0.7
158.02310	4.7
158.03650	7.9
159.03928	0.7
160.12430	0.8
160.52582	14.6
161.02779	1.4
163.02893	3.0
172.03441	0.7
173.13219	1.2
175.03714	1.9
175.07504	3.4
175.08817	0.5
175.11197	3.8
175.14827	32.7
176.15184	0.8
186.03125	9.1
187.03551	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05305	0.8
55.05511	8.3
67.05501	2.2
68.11592	0.8
69.07076	22.3
70.82160	1.0
79.05497	1.7
81.07053	6.2
83.08613	3.5
91.05490	9.9
93.07057	3.7
95.08595	5.2
98.98453	1.8
103.05469	1.1
105.07041	24.0
107.08614	5.1
117.07025	3.4
119.08589	86.0
120.08910	1.0
121.10150	2.8
129.06982	0.8
131.08559	3.9
133.10139	78.8
134.10497	1.7
135.11703	1.0
145.10132	8.1
146.10951	1.2
147.11684	10.5
158.10994	0.8
160.12476	3.7
173.13255	2.4
175.14835	100.0
176.15189	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1484
Annotation	Ionene
Peak:m/z	Relative Intensity
53.60600	1.2
55.05519	7.7
57.07073	1.5
67.05505	2.5
67.61821	1.1
69.07076	23.8
70.03661	4.9
77.92193	1.1
79.05505	3.4
80.04913	1.1
81.07061	8.6
83.08624	4.3
91.05502	9.7
93.07060	4.2
95.08597	4.4
98.21434	1.4
98.98462	5.4
105.07037	28.7
107.08610	6.9
115.05463	1.2
117.07021	3.5
119.08593	95.5
121.10134	3.6
125.60918	1.2
131.08568	3.6
133.10144	79.2
134.10428	1.9
145.10127	9.7
147.11696	10.4
159.11740	1.2
160.05168	2.7
160.12480	2.8
170.73740	1.2
173.13280	2.6
175.07523	2.7
175.14842	100.0
176.15199	2.7
181.86258	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.1
54.95047	0.8
55.05514	9.7
55.92357	1.0
57.07081	0.9
59.03781	1.0
67.05500	1.9
68.48039	1.0
69.07076	23.8
70.06582	1.1
70.62510	3.0
77.25279	0.9
79.05502	4.0
81.07044	4.3
83.08625	4.0
91.05482	11.3
93.07046	4.1
95.08607	5.3
98.20596	0.9
98.98471	5.2
103.15768	0.9
105.07039	28.1
107.08610	4.7
115.05469	1.3
117.07030	3.1
119.08594	95.4
120.08850	1.2
121.10157	3.2
131.08578	3.8
133.10144	79.6
135.11731	1.5
145.10135	8.4
146.10896	1.0
147.11699	11.4
160.12523	5.3
173.13281	2.6
175.07585	1.2
175.14844	100.0
176.15199	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	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
50.43396	0.6
53.03949	0.8
53.77685	0.5
55.05510	7.8
55.93219	0.6
57.07074	1.0
60.05666	0.6
67.05523	1.4
67.88110	0.7
69.07071	25.9
70.06558	0.9
70.66677	1.7
78.22819	0.7
79.05498	2.7
81.07060	5.2
83.08619	5.1
91.05492	9.9
93.07035	4.1
95.08604	6.0
98.21414	0.9
98.98459	4.6
103.05454	1.5
105.07036	28.7
107.08593	5.7
115.05357	0.7
117.07011	3.7
119.08586	96.3
120.08868	1.0
121.10175	3.7
123.99311	0.6
125.95088	0.7
131.08580	5.4
133.10136	80.7
134.10585	1.2
145.10126	7.6
146.10898	0.9
147.04472	0.8
147.11690	13.2
159.11670	0.9
160.12485	4.0
173.13304	2.3
175.07570	1.1
175.14832	100.0
176.15173	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	175.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03976	0.9
55.01882	1.7
55.05515	1.5
56.96302	0.8
56.96570	11.4
57.03434	4.3
57.93562	0.7
58.99851	1.6
60.05653	34.3
61.02931	2.2
62.56193	0.7
67.00370	0.8
69.03432	2.2
69.67216	4.2
70.06596	100.0
70.98138	2.4
70.99857	1.7
71.01350	0.8
71.04988	1.6
71.06956	0.8
72.08156	7.0
72.96054	0.9
73.02919	6.2
81.03423	1.8
82.99855	5.0
84.04523	0.8
84.08172	1.6
84.99615	1.4
85.01414	13.6
85.02906	3.7
88.02708	1.5
88.99099	1.0
89.00767	1.0
93.01884	0.7
95.01301	0.9
97.02907	3.6
98.06044	1.4
98.20829	0.8
98.97591	9.8
98.98489	3.6
99.04468	1.3
100.02663	1.1
101.00890	28.9
102.00993	1.9
102.02442	1.4
103.00641	6.1
103.02455	18.3
104.02478	1.0
110.02165	0.9
110.97588	2.5
112.01836	1.0
112.08743	4.1
113.00869	4.3
115.00630	1.8
115.02438	12.7
115.08692	1.1
116.07104	23.7
116.97253	1.4
116.98638	2.3
117.01001	1.0
117.02160	0.9
117.03986	1.0
118.01049	0.8
119.01928	33.9
120.01990	1.7
121.01648	4.8
121.03513	4.5
126.01546	1.8
127.02403	3.5
127.03905	1.2
128.98589	2.0
130.06569	5.2
130.09772	11.7
131.00983	1.1
131.01892	8.0
132.02048	0.9
132.04463	4.6
132.95827	1.5
133.01712	2.5
133.03473	50.7
134.03572	2.0
135.03217	2.5
137.02931	4.4
139.02567	0.8
140.01251	6.8
143.01866	2.2
144.02094	1.1
145.01706	1.4
145.03474	15.0
146.03661	0.8
147.03110	1.0
149.01831	7.1
149.02892	1.1
149.51936	0.8
151.04536	10.1
151.52049	1.4
153.00278	1.1
156.98061	2.2
157.03513	4.9
157.04726	0.8
157.07620	1.6
157.10867	1.6
158.03598	1.2
158.06032	4.2
158.08128	1.3
158.09277	6.1
158.99640	1.4
161.02959	2.6
161.04712	1.0
163.02768	2.0
163.04498	2.6
171.01378	2.1
174.99196	3.7
175.04541	69.5
175.06131	2.5
175.11916	20.6
175.14847	0.8
176.04668	2.4
185.02946	1.1
186.03073	1.3
187.02747	0.8
193.00209	2.8
193.05635	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1192
Annotation	Amino acid(Arg-)
Peak:m/z	Relative Intensity
53.03951	0.5
55.01874	1.7
55.05517	1.6
56.96579	1.1
56.97835	0.4
57.02563	0.5
57.03436	3.2
58.03794	0.4
58.06601	0.8
58.99873	1.3
60.05651	32.7
61.02929	2.1
61.10330	0.5
67.22338	0.4
69.03427	2.2
70.06594	100.0
70.98125	0.6
70.99844	0.6
71.04996	2.7
71.06922	1.2
72.08160	12.0
73.02925	3.9
81.03429	1.8
82.99828	2.3
84.08157	1.9
85.01413	5.8
85.02900	3.0
86.84218	0.5
87.01911	0.4
87.04459	0.4
88.07606	0.7
89.00895	0.5
93.01910	0.6
95.03488	0.5
96.02454	0.7
97.01373	0.6
97.02882	3.4
97.07647	0.6
98.06077	1.4
98.97587	1.1
98.98461	3.7
101.00885	13.0
102.00967	0.8
102.52475	0.5
103.00651	1.9
103.02454	8.7
109.02908	0.7
111.02949	1.5
111.04385	0.7
112.02898	0.5
112.07609	5.4
112.08717	3.7
113.00890	1.8
114.01000	0.4
114.10358	0.6
115.00658	0.8
115.01418	0.5
115.02438	3.5
115.03967	1.0
115.08706	1.2
116.07098	25.8
116.98626	0.7
117.02940	0.5
119.01924	14.9
119.08554	0.5
120.02038	1.6
120.03445	1.0
121.01682	1.3
121.03494	1.7
124.01928	0.8
126.03448	0.9
127.02426	1.9
127.03951	1.4
129.04001	1.0
129.10233	0.6
129.11113	0.9
130.08694	1.7
130.09755	11.5
131.01909	3.8
132.02116	8.5
133.01717	1.4
133.03471	20.6
133.10144	0.5
134.03568	0.8
135.03201	0.8
137.02968	2.0
138.53694	0.5
143.01884	4.1
144.02063	0.9
145.01680	0.8
145.03455	6.9
146.03581	1.0
147.03123	0.7
151.04567	4.0
155.01962	0.8
156.02063	1.0
157.01660	0.8
157.03523	2.3
157.10840	1.5
158.06038	0.5
158.09248	6.1
159.03178	0.6
161.02979	3.5
162.03259	0.5
163.02762	1.2
163.04504	1.3
167.01811	0.6
171.01430	0.7
173.03040	1.1
174.03110	1.0
175.02989	0.8
175.04543	22.2
175.11920	19.4
175.15025	0.8
176.01114	1.7
176.04697	0.8
184.36555	0.5
185.03014	1.6
186.03188	1.3
187.02731	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0392
Annotation	Lawsone
Peak:m/z	Relative Intensity
53.03939	1.8
56.96551	1.8
57.03423	0.7
59.31852	0.8
60.05651	1.4
65.03934	3.3
65.24489	0.7
67.05495	1.5
68.99790	1.6
69.07054	1.3
70.06595	3.8
70.07587	1.6
70.07970	1.6
79.05489	1.6
81.03427	1.2
81.07060	1.5
91.05486	30.2
92.90086	2.8
93.07043	1.4
95.04971	2.9
97.02894	2.1
98.98472	65.0
102.04679	1.1
103.01295	1.1
103.05470	18.5
105.03390	1.0
105.04510	1.1
105.07037	5.9
107.08560	1.1
108.00481	2.6
110.08904	0.7
112.01817	3.9
112.02435	0.7
112.99615	1.3
116.07087	0.8
117.01005	16.8
117.51164	0.9
119.04939	8.1
119.08596	9.8
121.02291	1.6
122.00140	1.2
126.01527	20.6
126.51730	2.0
128.51790	1.8
129.07008	1.0
129.53563	0.7
131.00710	7.6
131.04936	18.5
131.08560	2.5
133.06490	0.8
133.10136	7.2
133.50987	0.9
133.92929	1.1
135.01962	2.0
137.52324	0.9
140.01254	79.4
140.51424	9.7
141.01544	1.3
142.07726	1.1
142.51547	2.0
145.10043	1.1
147.04419	69.8
147.11716	1.6
148.04724	1.1
149.01788	72.9
149.51959	8.7
150.02019	0.8
151.52052	29.5
151.94069	3.4
152.02242	3.1
157.04219	1.0
157.10127	3.0
158.02316	4.7
158.03650	4.8
160.52576	15.8
161.02759	2.4
163.02869	3.7
170.04242	0.9
175.03915	100.0
175.07507	2.2
175.11075	7.5
175.14784	6.6
176.04207	2.5
186.03107	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	175.112
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
52.67688	0.7
55.01870	1.7
55.05516	1.5
56.96569	2.2
60.05644	2.0
65.03947	2.2
67.05505	1.7
69.03432	1.6
69.07068	2.0
70.06596	5.5
70.41436	1.9
79.05492	3.6
81.07052	5.7
85.00261	0.7
87.04449	0.8
91.05486	32.1
92.90012	3.9
93.07053	2.9
95.04961	0.8
95.08601	1.9
97.02918	2.1
98.98471	100.0
102.04665	0.7
103.05461	1.5
105.07037	14.7
107.08601	1.4
108.00471	1.6
108.50626	0.7
110.91251	0.7
112.01812	3.0
115.05466	2.5
116.07117	1.0
116.97270	1.0
116.99544	1.3
117.00997	19.3
117.07004	6.0
117.51171	1.9
119.04942	14.2
119.08588	16.7
119.09254	0.5
121.02315	1.2
121.06520	8.9
126.01530	20.3
126.51691	2.1
128.06204	1.1
128.51804	2.1
129.07004	3.6
131.00717	7.1
131.04974	1.2
131.08572	3.3
131.09468	0.7
133.06502	40.9
133.10126	11.7
133.92802	2.2
135.02040	1.9
137.05995	5.4
137.52319	0.9
140.01253	77.5
140.51422	8.7
141.01567	1.1
141.06972	1.4
142.07790	6.0
142.51535	2.6
144.08040	0.8
145.06487	1.7
145.10121	1.6
146.07271	0.9
147.04364	2.3
147.08057	3.6
147.11717	6.1
149.01790	74.0
149.51944	9.0
150.01959	1.4
151.52065	25.1
151.93867	5.2
152.02232	3.1
157.04300	1.2
157.10135	28.4
158.02293	4.8
158.03639	5.6
158.10469	1.1
160.08800	3.8
160.52579	14.5
161.02762	2.7
163.02834	2.4
163.52977	0.8
172.03387	1.4
172.14534	0.7
175.03851	3.2
175.07622	2.9
175.11186	82.8
176.07097	0.9
176.11525	1.5
186.03192	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	175.0391
Annotation	Lawsone
Peak:m/z	Relative Intensity
53.00291	0.7
53.03955	3.5
55.01870	1.4
62.21195	0.5
65.03940	7.7
67.05505	0.9
68.99793	35.1
69.07065	1.0
70.06591	2.6
77.03915	2.6
79.05491	8.2
81.07056	1.2
91.05484	65.3
92.90022	1.3
92.90502	0.7
95.04979	3.6
95.08598	1.0
97.02896	1.0
98.98471	36.0
102.04675	1.5
103.05470	28.8
105.03394	1.8
105.04517	2.7
105.07036	3.1
107.04948	11.5
108.00462	1.2
112.01791	1.4
116.07018	0.8
117.01009	7.5
117.51177	0.7
119.04946	48.1
119.08596	5.8
121.02325	0.8
122.00231	1.1
126.01522	9.1
126.51727	0.9
129.03397	1.0
129.06981	1.0
131.00714	4.7
131.04897	1.6
131.08534	1.8
133.02861	3.9
133.06500	0.7
133.10118	5.7
133.92877	1.8
134.39658	0.6
140.01251	38.9
140.51425	4.2
142.07800	1.0
142.51517	2.2
147.04413	37.4
147.11685	1.3
148.05206	0.9
149.01787	33.3
149.51910	4.6
151.52055	14.2
151.93913	2.4
152.02180	2.3
157.04327	0.8
157.10165	1.2
158.02318	2.7
158.03633	2.7
159.03984	0.6
160.52611	7.2
162.04395	1.1
163.02873	1.3
171.04858	0.9
175.03912	100.0
175.11137	5.4
175.14813	4.6
176.04390	2.7
186.03098	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	174.1491
Annotation	(+)-Muscarine
Peak:m/z	Relative Intensity
54.41149	0.3
55.01880	0.5
56.96553	0.4
58.06602	38.8
59.07384	26.7
59.42840	0.3
60.08167	11.1
67.57443	0.4
69.07069	2.4
70.06609	0.5
70.78545	0.8
70.95855	0.9
72.93789	0.8
73.02909	1.5
73.06539	1.1
77.35944	0.4
89.37440	0.3
90.94817	0.4
93.89622	0.4
94.46883	0.3
96.26599	0.3
97.06519	0.5
98.97591	0.7
98.98495	0.5
104.26694	0.4
111.98518	0.6
132.95792	1.8
136.56479	0.3
150.96933	1.3
153.47954	0.4
154.23132	0.4
155.97479	0.5
158.99728	0.4
174.14902	100.0
175.15225	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1326
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
55.05515	5.6
57.07068	1.2
59.04993	1.4
65.03925	0.8
67.05491	3.0
69.29595	4.9
70.74425	0.6
72.93790	3.0
75.69859	0.6
79.05492	2.2
81.07082	4.0
83.04985	4.6
83.37590	0.6
90.94818	2.3
91.05478	11.5
93.07053	2.7
96.31989	0.7
100.21333	0.7
101.06002	3.6
105.07033	12.6
111.04442	6.2
115.05463	2.3
116.06230	2.7
117.07031	7.8
119.08595	12.2
127.07546	0.7
128.06215	1.6
129.05513	0.8
129.07013	12.4
130.07806	3.7
131.08577	82.7
132.08862	1.3
133.10158	2.1
142.07771	1.4
143.08569	19.3
144.09355	9.2
145.06471	0.8
145.10132	37.4
149.96089	0.9
155.07059	3.7
156.09361	1.9
157.10173	1.0
158.10922	28.1
159.11182	0.7
167.97218	0.8
171.11691	2.8
173.08292	4.2
173.13274	100.0
174.13605	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.0585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03974	0.6
54.38395	0.5
55.05507	2.4
56.05845	0.5
58.06614	0.8
58.99587	9.9
59.05001	0.7
60.04525	0.9
61.96147	0.5
65.03951	0.8
65.80675	0.6
67.05500	0.6
68.05022	1.3
69.07085	0.8
70.06598	49.5
70.95869	2.3
71.47508	0.9
72.93797	3.5
73.93864	0.6
74.00676	1.3
76.02238	2.0
79.05520	0.7
79.32792	0.5
80.05024	0.7
81.05808	0.5
81.07041	0.8
82.06586	8.1
82.07033	0.9
83.04990	0.6
84.04527	0.8
84.05290	0.8
85.01163	3.0
85.02896	0.7
86.00652	1.5
86.06071	0.6
86.09724	3.2
86.99065	6.5
87.02695	7.7
88.02225	2.4
88.03999	1.1
89.00781	0.5
89.87215	0.5
90.05624	0.6
90.94834	1.8
91.05473	2.8
92.05778	0.7
94.06570	9.6
95.07352	1.4
95.08666	0.6
96.04523	0.9
96.08128	1.1
97.02901	1.0
98.98478	7.7
99.02686	1.1
100.02206	2.7
101.05978	0.7
105.00090	3.5
105.07040	2.3
111.02676	14.6
111.98473	2.6
112.04787	0.9
113.03059	0.6
113.04248	1.6
114.05494	1.1
115.03984	0.6
115.05444	1.2
118.06532	1.6
118.07312	0.7
118.97530	0.6
119.08620	3.5
128.05313	100.0
129.05667	1.1
129.07164	0.7
130.42520	0.5
131.04927	0.7
131.08598	1.4
131.97464	0.7
132.08075	0.9
132.08931	3.0
132.10176	0.7
132.95844	8.9
133.10118	3.0
144.08928	1.5
145.10014	0.7
146.05972	3.0
146.10480	2.1
147.04430	1.2
149.01799	0.8
150.96916	5.2
155.97435	2.0
156.07518	0.6
157.03197	4.3
159.06870	0.7
159.08101	1.6
159.11269	2.1
160.05185	1.9
171.45740	0.6
173.98488	1.1
174.05858	72.2
174.12585	1.7
174.13632	4.0
174.15010	1.1
175.03947	1.1
175.06250	1.2
175.07573	3.1
175.11038	0.5
175.14832	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	173.1327
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
52.85663	0.6
55.05519	7.1
56.96582	0.7
57.07055	0.9
59.04998	1.0
64.25696	0.6
65.03922	0.9
67.05504	3.3
69.07072	1.0
70.82116	1.8
71.04954	0.8
72.69181	0.5
72.93787	5.4
75.07805	0.5
79.05508	3.4
81.07059	4.1
82.79566	0.5
83.04982	6.5
85.06552	1.0
85.10985	0.5
90.94823	5.5
91.05486	16.3
93.07045	2.4
95.08588	1.8
101.06025	3.9
103.05481	1.1
105.07037	12.5
111.04447	7.6
115.05440	2.6
116.06255	3.0
117.07037	7.3
119.08583	14.8
127.07537	0.8
128.06221	1.9
129.07013	12.9
130.07794	5.7
131.08572	94.7
132.08905	2.1
132.95892	0.7
133.10126	2.6
142.07777	1.1
143.08568	28.1
144.09372	7.7
145.06485	1.1
145.10130	36.4
149.96075	1.0
155.07056	3.7
156.09341	2.3
157.10135	1.9
158.10918	35.8
171.11697	2.7
173.05942	1.1
173.08255	5.8
173.09662	2.0
173.13268	100.0
174.13602	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1327
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
55.01886	0.4
55.05513	4.0
57.07084	1.9
59.05010	0.7
60.02094	0.4
65.41161	0.4
67.05508	3.0
69.04227	0.4
69.07054	0.5
70.06601	0.5
71.49085	0.8
72.93816	0.9
76.02258	0.4
79.05503	4.3
81.07048	3.6
83.04993	3.5
91.05487	19.3
93.07047	4.9
95.08620	2.0
101.06024	2.5
103.03277	0.7
105.06428	0.4
105.07037	9.9
107.08582	1.1
111.04436	4.8
115.05474	2.2
116.06227	1.2
116.64744	0.4
117.07027	17.8
119.08604	5.3
123.25978	0.4
129.05556	0.8
129.07013	6.8
129.14371	0.4
130.07809	2.6
131.08578	100.0
132.08969	1.6
143.08568	1.9
144.09357	2.8
145.06412	0.4
145.10136	18.3
155.07063	2.7
158.06210	0.6
158.10907	1.5
171.11650	0.9
173.08272	4.9
173.13278	72.3
174.07623	0.4
174.09164	0.6
174.13547	1.5
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	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
55.05513	9.2
56.05027	0.5
57.07074	2.1
59.04996	1.7
63.27024	0.5
67.05518	4.0
69.99687	1.1
70.00079	1.4
70.06598	0.7
71.06106	0.8
72.93787	3.6
76.02236	1.2
76.66840	0.5
79.05486	3.7
81.07059	3.5
83.04982	9.1
87.04458	0.8
89.02371	0.8
90.90391	1.6
90.94835	2.0
91.05487	17.4
93.06556	0.5
93.07047	3.4
95.08604	1.8
96.04499	0.5
98.21427	0.7
98.98505	0.8
99.04462	0.7
101.06026	5.5
102.05523	0.7
103.03270	2.9
103.05467	0.9
105.07037	11.0
107.08568	0.9
111.04453	10.5
112.61093	0.5
112.83620	0.5
113.06015	1.3
114.05560	0.8
115.05430	2.5
116.06248	2.3
117.07026	16.8
118.06538	0.5
119.08588	5.6
127.07550	1.2
128.06265	0.6
129.05470	2.4
129.06996	6.5
130.07794	2.4
131.08571	100.0
132.08961	1.2
133.10153	0.6
143.08586	2.9
144.09369	2.6
145.06509	0.6
145.10127	20.8
149.94081	0.9
149.96133	1.0
155.07048	6.8
157.06467	0.6
158.06187	0.7
158.10905	2.8
167.97156	1.0
171.11702	1.8
173.08279	10.8
173.13271	73.9
174.13602	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.138
Annotation	(6E)-8-Hydroxygeraniol
Peak:m/z	Relative Intensity
51.02380	1.8
53.03950	2.8
55.01881	8.8
55.05274	3.1
55.05515	42.6
57.03442	28.1
57.07075	2.7
59.04978	2.2
66.18749	1.8
66.73006	1.6
67.05509	32.3
67.81607	2.2
68.99776	4.1
69.03430	12.8
69.07069	100.0
69.65487	3.3
69.65894	6.6
70.06580	3.1
70.94252	5.3
71.04609	3.5
71.04996	68.7
72.04518	34.0
72.08157	20.7
79.05144	1.8
79.05501	21.4
81.07053	18.2
83.04982	14.9
83.08199	2.1
83.08627	19.0
84.04462	2.4
85.02906	7.9
85.06538	18.0
86.09713	4.1
87.08101	3.9
88.95273	4.3
89.06668	2.8
89.07156	28.2
91.05461	7.4
93.06490	2.7
93.07045	40.5
94.48434	1.9
95.04969	3.0
95.08613	31.4
97.06533	19.8
97.10168	3.2
97.77396	1.6
98.20851	3.0
99.04457	2.4
99.08076	2.6
105.07005	3.6
107.07887	2.4
107.08602	38.3
109.10162	23.5
111.04440	9.6
111.08086	47.5
111.08813	1.8
113.02335	2.1
113.09731	2.3
115.05448	10.8
115.07558	2.7
117.07030	2.0
123.11699	2.1
125.07108	2.3
125.09634	14.6
126.09141	2.8
127.11253	2.2
128.06221	14.6
129.06969	9.9
135.11708	16.9
139.00278	4.5
139.03883	3.6
141.06978	17.1
142.07785	6.8
143.03374	2.3
143.04941	4.4
143.08560	33.4
153.07095	2.6
153.09111	7.4
153.12769	23.0
155.08537	3.3
156.09351	77.8
171.04411	16.2
171.05444	2.8
171.08127	7.4
171.10213	3.8
171.11688	61.8
171.13589	9.9
171.15031	11.2
172.07510	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	170.0337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.5
55.01873	5.0
55.05525	1.5
56.05031	1.6
56.96571	100.0
57.03443	15.5
58.99853	1.3
60.95840	2.4
61.02924	6.9
68.00265	2.1
68.98292	4.9
68.99806	2.8
69.03437	12.9
69.92559	3.9
70.06604	4.2
70.07799	3.8
70.98130	30.0
70.99865	2.1
71.01350	3.2
71.66252	1.4
71.95281	9.1
72.08170	5.5
72.96067	2.4
73.02928	12.0
74.00282	2.4
74.97626	3.3
77.00837	2.3
80.00255	1.9
81.01029	1.7
81.03415	5.9
82.01443	9.4
82.99832	2.4
83.00770	2.7
83.06155	1.8
83.97630	2.4
84.01167	1.7
84.01611	2.0
84.04515	2.1
84.08143	3.8
84.94888	5.5
84.96035	6.1
85.01407	6.2
85.02905	12.4
86.03696	4.1
86.09719	1.8
86.99339	3.7
87.04488	2.1
88.99165	10.3
89.00764	15.8
91.05500	3.1
92.01279	1.5
95.00763	4.4
96.01542	2.8
96.08187	1.5
97.02895	9.1
97.96803	3.2
97.99214	1.6
98.01304	27.6
98.97592	68.7
99.04488	1.9
99.09178	2.8
100.02485	13.3
101.00883	21.7
102.00948	6.8
102.01582	1.7
102.02206	3.2
103.00614	4.8
103.02457	11.4
104.01326	6.9
105.00349	2.0
106.06559	1.6
107.00780	1.9
107.01829	13.0
109.00548	2.3
109.01365	2.3
109.02896	4.7
110.01310	18.4
110.06015	3.5
110.07185	12.0
110.51498	1.6
110.97581	50.1
110.99301	4.6
111.02040	1.9
112.99088	2.2
113.00951	2.0
115.00635	2.2
115.02419	4.3
116.01286	4.8
116.98627	15.9
117.02098	5.9
118.01045	6.3
118.03502	4.2
119.01872	40.0
119.51983	1.7
120.00764	2.0
120.01982	13.8
120.03289	1.7
120.28869	1.4
121.01654	5.9
121.03473	2.9
122.01270	2.0
122.02206	1.3
124.07597	9.8
124.99079	2.6
125.01775	12.9
125.97468	2.9
126.02573	1.6
127.01539	8.8
127.03978	2.8
127.53992	1.4
128.02303	4.8
128.93800	1.7
128.98621	41.4
129.00328	15.4
129.01999	4.9
129.04019	4.3
131.00166	5.6
131.01833	7.1
133.01634	4.8
133.03465	3.1
134.02312	4.2
134.06032	33.2
134.07013	2.5
134.99673	3.4
136.06229	5.1
137.02905	4.9
137.06018	1.7
139.00255	2.5
140.02313	4.4
140.03867	1.7
142.03514	3.7
143.00197	3.2
146.03705	2.8
146.60893	1.4
146.94888	3.8
146.97461	2.3
146.99675	19.9
147.01408	51.0
147.03148	8.0
147.05028	17.4
147.25890	1.3
149.01254	1.9
149.02850	3.4
152.02026	5.2
152.07074	48.6
153.05537	1.7
156.07997	1.7
158.04982	1.7
158.06627	3.2
158.99702	9.9
159.05855	1.7
160.06477	2.1
161.02832	2.0
164.95988	3.1
165.00749	5.6
165.02505	2.5
165.06100	2.9
170.01408	2.2
170.03050	17.2
170.05080	3.3
170.06659	7.3
170.08118	14.1
170.09564	4.3
170.15350	2.9
170.99768	2.7
171.01259	2.3
171.03090	2.6
171.04971	1.6
173.06667	2.0
177.00740	14.0
188.05919	3.0
188.07724	3.2
189.00699	4.8
189.02415	2.1
189.04364	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	169.1224
Annotation	(1alpha,4alpha,7S*)-5-methylethyl)-2,3-dioxabicyclo[2.2.2]oct-5-ene
Peak:m/z	Relative Intensity
53.03947	1.8
55.01868	7.4
55.05510	17.7
56.96555	1.1
57.03436	1.2
57.07064	1.8
59.04989	2.2
65.03931	1.5
67.05505	24.7
69.03425	1.5
69.07051	3.5
69.30605	0.9
69.83846	3.5
71.01360	4.7
71.05002	8.0
72.85255	0.7
79.05495	13.3
81.03399	3.1
81.07056	41.7
83.04965	1.1
83.08617	9.6
85.02908	1.1
85.06551	1.5
85.94583	1.2
91.05482	13.0
93.07044	6.5
95.04965	2.4
95.08591	5.1
97.06527	1.2
98.20881	0.8
99.04462	1.3
105.07030	7.5
107.08591	7.4
109.02854	1.4
109.06521	2.5
109.10172	6.4
111.04451	1.9
111.08078	2.2
112.99982	1.8
115.96152	0.7
123.04395	1.5
123.08095	0.9
123.11710	5.6
125.09644	1.1
126.03167	1.9
128.95091	1.2
133.10118	2.8
134.97018	0.8
141.05455	2.2
141.07014	6.8
145.96623	0.9
153.07053	1.2
154.07773	6.1
163.97728	0.9
164.02290	1.0
169.04887	2.0
169.07616	3.1
169.10152	10.5
169.12236	100.0
170.08226	1.2
170.09621	2.1
170.12541	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1224
Annotation	(6E)-8-Hydroxygeranial
Peak:m/z	Relative Intensity
53.03936	6.9
55.01868	3.3
55.05514	13.4
57.03424	5.3
57.07077	16.5
58.86552	1.7
59.05018	10.6
65.03931	8.1
67.05145	2.1
67.05511	36.2
67.20875	1.6
69.03088	1.7
69.03416	11.6
69.07074	27.6
69.20303	5.0
69.20711	13.4
70.06582	1.7
71.04999	20.0
73.02905	1.9
73.06564	5.1
79.05138	2.0
79.05501	20.8
81.03422	9.0
81.07064	65.9
83.04985	14.8
85.02909	2.3
85.06542	17.6
91.05465	9.8
92.52070	1.7
93.03423	2.4
93.07044	20.0
95.04981	10.1
95.08613	27.3
97.06535	27.2
97.10161	1.8
98.20767	3.9
99.04447	7.3
105.07049	16.6
107.04904	2.4
107.08615	15.9
108.10151	2.0
109.02866	9.1
109.06526	33.0
109.09507	1.5
109.10165	36.5
110.03658	3.8
111.00795	2.8
111.04429	8.1
111.08092	22.0
113.05982	6.1
114.17637	1.7
121.10150	13.1
123.00738	2.5
123.04405	3.3
123.08114	14.9
123.11732	18.3
124.07568	2.4
125.09648	9.9
125.18279	2.0
126.03139	4.7
127.03883	3.7
127.07549	2.5
127.11213	2.3
133.10132	14.7
136.08855	11.1
139.03905	2.1
139.11197	20.2
141.05515	13.2
141.06943	3.9
151.03912	2.8
151.11195	100.0
152.07065	2.3
154.07782	3.3
169.04990	9.8
169.06229	3.4
169.07590	38.0
169.09863	8.9
169.12268	26.7
170.05901	2.4
170.08151	3.9
170.09532	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	169.1224
Annotation	6-Hydroxy-2,6-dimethyl-2,7-octadien-4-one
Peak:m/z	Relative Intensity
53.03942	2.1
55.01869	1.4
55.05514	13.2
55.93549	0.6
56.96564	0.8
57.03435	1.3
57.07078	1.2
59.05005	1.1
65.03940	3.2
67.05508	9.0
69.03433	2.7
69.07076	2.6
69.60180	2.7
70.06596	1.1
71.04988	1.9
79.05502	4.3
81.03416	2.6
81.07059	15.6
83.01347	0.5
83.04984	100.0
84.05318	1.3
85.02919	1.0
85.06525	1.0
85.94624	0.6
86.02307	0.4
91.05484	5.2
93.03411	0.9
93.07041	4.5
95.04972	7.2
95.08610	4.3
96.08140	0.6
97.02904	0.5
97.06528	0.7
99.04464	2.7
105.07036	4.2
107.04975	0.6
107.08597	2.8
109.02901	3.4
109.06525	10.1
109.10153	3.8
111.00804	1.3
111.04490	2.9
111.08092	7.0
113.05998	1.6
115.05473	0.7
119.06069	0.4
121.10149	0.9
123.00803	0.7
123.04470	1.7
123.08085	1.8
123.10949	0.4
123.11720	2.2
124.07594	1.0
125.05968	1.0
125.09660	1.1
126.03165	1.6
127.03939	1.2
127.07599	0.5
128.95122	1.4
133.07602	0.4
133.10155	1.6
136.08893	0.7
141.05495	4.8
141.06979	3.5
146.96208	0.7
151.03905	1.4
151.11188	43.7
152.11542	1.0
153.07014	0.8
154.07806	3.0
163.97762	1.1
166.21132	0.4
167.08617	0.8
169.05096	2.7
169.06416	0.6
169.07622	9.5
169.10072	8.5
169.12233	2.3
170.06007	0.5
170.08182	0.9
170.09552	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0862
Annotation	3-(3,4-Dihydroxyphenyl)-1-propanol
Peak:m/z	Relative Intensity
53.03938	3.4
55.01876	5.8
55.05515	6.5
55.93970	0.7
56.16134	0.8
56.96565	1.8
57.03426	3.0
57.07083	1.4
59.04998	1.4
60.06595	0.7
65.03944	15.7
65.54039	0.7
67.05180	1.3
67.05509	17.2
67.93547	1.2
68.99777	2.3
69.03091	1.1
69.03436	17.0
69.07075	3.9
70.06583	3.2
71.01365	0.9
71.04999	10.0
71.47186	0.9
72.93793	1.6
77.03884	1.1
79.05498	15.7
81.03428	7.4
81.07063	22.6
83.04995	9.1
83.08613	1.9
85.02904	5.4
85.06550	11.7
85.94604	2.8
91.05483	12.9
92.04984	0.8
93.03398	6.8
93.07054	15.9
95.01324	1.2
95.04977	10.5
95.08614	18.9
96.08163	1.0
97.02893	1.9
97.06568	3.7
98.97599	1.6
99.04461	12.4
99.08096	1.9
103.05452	2.5
103.95657	1.3
105.07040	73.1
107.04939	2.7
107.08607	9.2
109.02892	10.6
109.06528	34.8
109.10152	4.6
110.03674	1.9
110.06050	1.9
111.00796	3.4
111.03741	1.2
111.04466	14.8
111.08090	100.0
113.05994	3.6
116.98591	1.0
117.93562	1.6
118.94350	1.9
121.06539	4.3
121.10146	2.3
123.00797	2.0
123.04470	6.8
123.08081	39.1
123.11705	4.0
124.07579	4.4
125.06008	6.2
125.06831	0.9
125.09618	3.5
126.03144	7.0
127.03922	2.7
127.07530	2.0
128.95041	1.5
133.06516	6.5
133.07404	1.2
133.10085	2.1
134.06001	1.2
139.03891	0.9
141.05466	14.4
141.07004	2.1
141.09045	1.8
151.03981	6.2
151.05031	1.2
151.07567	15.2
151.08696	1.1
151.11165	7.0
152.07068	3.0
154.02652	1.0
163.96477	0.7
163.97699	4.3
164.02298	1.4
164.65968	0.8
168.95787	0.9
169.03497	1.4
169.04982	12.9
169.07541	3.9
169.08765	12.3
169.09904	1.8
169.12222	8.2
169.13467	1.1
170.08153	2.8
170.09628	2.6
181.98836	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16899	0.2
57.03159	0.3
57.03441	6.7
70.06596	0.3
71.22803	0.5
72.04073	0.2
81.03423	0.3
84.08143	0.2
92.05032	0.2
95.04963	0.3
95.08601	0.2
98.98383	0.2
109.02886	0.3
111.00856	0.3
111.09222	0.4
113.00024	100.0
114.00425	0.3
123.04421	0.3
126.03142	0.4
131.01074	0.7
139.01569	0.7
141.05467	0.9
141.06871	0.2
152.07065	0.3
154.02655	0.3
154.07817	0.2
155.01076	0.3
169.02621	8.8
169.04874	0.4
169.07594	0.6
169.10034	0.7
170.08197	0.3
170.09647	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.7
55.01866	9.1
55.05508	5.6
56.96568	86.7
57.03442	36.7
58.06614	10.8
58.99858	7.5
60.95839	4.1
61.02929	16.2
65.03940	6.2
67.05489	5.0
67.92517	5.2
68.98291	6.6
68.99795	2.2
69.03428	26.9
69.07063	3.3
70.03761	1.8
70.06589	8.5
70.35963	2.0
70.98106	11.2
70.99860	9.5
71.01363	5.2
71.05000	6.4
71.46606	1.9
71.95275	4.0
72.08160	2.7
73.02917	28.1
74.00256	5.4
75.12288	1.9
77.00906	3.2
79.05506	4.4
81.03428	24.8
81.07050	3.2
82.01437	3.9
82.03751	3.1
82.06557	2.5
82.94835	7.6
82.99844	6.8
83.00781	4.5
83.04989	4.0
83.06072	2.7
83.97643	4.0
84.01575	5.3
84.04506	2.5
84.08142	12.3
84.96058	4.4
85.01402	12.2
85.02912	26.9
85.94596	4.3
86.03685	7.7
86.99323	7.3
87.01892	2.1
87.04456	3.1
88.02679	11.4
88.52728	2.9
88.99174	4.2
89.00809	12.1
90.02399	2.2
91.05480	3.3
92.01308	2.8
93.01929	6.0
93.03424	4.3
93.99990	2.1
94.02668	13.7
95.00790	3.3
95.02547	2.6
95.03491	2.8
95.04981	6.1
95.06113	5.3
96.01556	3.6
96.08132	2.7
97.00547	4.0
97.01405	4.4
97.02833	25.2
97.99214	3.5
98.01288	9.6
98.97591	38.4
99.02126	2.2
99.02986	2.0
99.04459	6.5
100.00087	4.9
100.02606	9.4
100.99129	4.0
101.00209	4.0
101.00888	67.0
101.01598	6.7
101.02477	4.2
101.03457	3.6
102.00967	6.5
102.01591	3.6
102.02405	8.3
102.52459	3.4
102.96903	2.4
103.00641	15.5
103.01260	2.8
103.02438	18.1
103.03192	7.0
103.05480	2.7
103.95612	2.6
104.01317	4.6
105.00365	5.3
105.01051	3.1
106.01035	2.2
106.02713	2.7
107.01690	2.5
107.03436	4.3
107.04953	7.5
108.01589	1.8
108.02387	5.2
109.02924	24.9
109.03889	1.9
109.53289	3.2
110.01333	11.4
110.03676	8.1
110.07162	19.1
110.97573	14.3
110.99266	2.7
111.00857	2.4
111.02905	7.0
111.04460	6.1
112.02724	3.9
112.99142	6.0
113.00907	14.3
113.02515	3.3
115.00603	7.1
115.02436	15.9
115.03212	5.7
116.01283	2.8
116.03933	5.0
116.98626	9.7
117.02039	6.1
117.02934	5.2
117.03979	13.3
118.01097	12.0
118.03671	4.1
119.00134	3.4
119.01917	100.0
120.02068	6.4
120.03450	8.5
120.08126	12.1
121.01669	19.3
121.03319	7.3
122.02000	3.1
122.99437	3.1
123.02084	8.8
123.02903	4.9
123.04435	5.7
124.01071	2.7
124.02673	1.7
124.03705	11.7
124.07590	5.6
124.50348	2.4
124.97769	3.7
125.05989	3.8
126.01569	2.5
126.03381	2.6
126.93733	2.1
126.98793	2.6
127.01536	8.7
127.02422	18.8
127.03939	7.8
128.02359	12.7
128.98605	12.9
129.00336	8.9
129.01941	4.3
129.03143	2.2
129.03952	12.8
130.03702	4.8
131.00175	9.0
131.01898	32.5
132.00830	2.0
132.01964	4.3
133.01637	23.3
133.03450	11.7
133.50865	8.2
134.03654	4.8
134.06039	12.8
134.99661	3.6
135.04050	2.8
135.05031	5.7
136.05188	2.2
137.02869	14.0
138.50066	2.2
139.02473	2.9
139.04190	9.1
141.00493	2.8
141.05438	5.2
142.03505	5.4
143.01889	6.8
143.03783	4.0
144.94748	3.2
144.99829	6.1
145.01677	4.7
145.03452	68.3
145.04507	3.4
145.60184	3.1
145.96666	4.6
146.01180	4.8
146.03719	22.6
146.99658	9.6
147.01399	28.4
147.03174	4.4
147.05077	5.1
147.50598	5.7
148.03665	2.6
149.01199	9.0
149.02945	2.9
150.97041	5.0
151.02608	3.8
151.03969	5.6
151.05888	9.5
152.01909	4.1
152.07069	25.3
155.01805	38.7
155.52010	3.8
156.51100	5.9
157.03209	11.0
157.04352	7.5
158.03780	2.9
158.53732	13.9
158.99652	2.9
159.03267	4.3
159.04939	2.0
161.02974	2.5
161.04756	2.2
162.95891	4.6
163.02774	3.8
163.04535	7.2
163.97702	5.9
164.02278	39.4
164.04512	2.6
164.52531	4.3
165.02408	2.4
167.54192	3.3
168.98109	7.5
169.01889	3.5
169.03471	13.2
169.05043	12.2
169.09802	2.9
170.02992	13.9
170.08133	3.6
170.09430	2.1
171.04965	2.2
173.02757	3.9
174.99208	2.5
175.02982	3.2
175.04561	13.6
177.00851	2.3
181.03436	2.6
185.02902	3.8
186.99194	10.4
187.00905	2.3
187.02734	7.8
187.04518	9.7
187.06047	2.4
188.04701	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0705
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
51.02382	0.7
53.03957	5.7
55.01876	1.2
61.03054	0.5
65.03947	2.3
66.04725	8.1
67.05508	1.8
68.99797	0.6
69.03445	3.3
69.07082	1.0
69.80315	3.3
72.08153	1.3
77.03936	7.2
78.04729	0.9
79.05501	19.0
80.05035	0.5
81.03427	0.6
81.07069	7.2
83.01357	1.0
83.04969	1.1
83.93044	0.6
84.96038	1.3
91.05489	4.8
93.03415	0.5
93.07050	2.2
94.04193	15.7
95.04973	4.1
97.06554	0.9
98.20839	0.8
103.00672	0.7
105.03399	2.7
105.04532	1.9
105.07058	0.7
107.04961	3.9
107.08628	2.5
108.05777	3.4
109.02138	2.3
109.06528	87.4
110.06867	1.5
111.04462	1.4
111.08090	1.0
115.01161	0.6
118.02641	1.9
119.54518	0.5
120.52937	1.5
121.01702	1.6
121.02914	1.2
121.06512	1.1
121.08429	1.2
121.10157	1.7
122.06081	0.6
122.09765	0.6
123.01917	0.8
123.04433	1.1
124.05248	3.5
125.06062	0.8
129.53433	0.7
135.04433	2.2
137.05992	38.3
138.07916	1.3
139.07553	6.1
140.37889	0.5
142.96759	0.5
143.53188	11.4
143.96754	1.7
144.03279	4.6
144.53073	1.2
145.00949	0.6
149.02382	0.8
149.06047	0.7
149.09656	1.1
152.04709	0.8
152.53719	1.4
153.05632	0.6
155.04004	1.9
155.07048	27.2
158.03676	3.2
167.07054	100.0
167.11853	2.2
168.07454	1.7
186.03200	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49517	0.2
57.03443	7.8
67.05529	0.3
69.35326	1.6
69.89248	0.2
69.99866	0.2
70.76495	0.2
84.50386	0.2
94.98973	0.3
98.29375	0.2
109.10175	0.3
113.00026	100.0
115.60845	0.2
131.01073	0.4
133.10106	0.3
139.01540	0.9
141.05443	0.3
141.07004	0.3
154.02673	0.4
167.91127	0.2
169.02628	7.7
169.04863	0.3
169.07600	0.5
169.10059	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0704
Annotation	ISOPEONOL
Peak:m/z	Relative Intensity
50.96824	1.1
53.03955	1.1
55.05502	3.2
67.04918	1.0
67.05497	2.8
69.03436	2.4
69.07069	1.6
69.84264	5.7
71.05002	1.4
74.81363	1.2
78.04712	12.6
79.05511	8.5
81.07046	4.9
91.05478	4.3
93.03384	2.0
93.07052	6.0
94.04182	1.8
95.04955	3.8
95.08589	2.5
105.07039	2.6
106.04193	5.6
107.04941	5.3
107.08596	7.2
109.02904	1.6
109.06509	3.8
109.10232	1.5
110.03671	7.7
111.04412	1.3
111.08076	2.1
120.08176	1.3
121.01694	1.7
121.02869	2.5
121.06525	2.3
121.08441	1.7
121.10133	3.8
123.04420	21.9
124.05208	7.8
125.06012	11.8
125.09611	2.3
135.04474	1.3
139.02759	1.3
139.07542	3.1
149.02324	4.4
149.09605	3.2
151.03896	6.0
152.04715	4.1
167.07042	100.0
167.10680	4.4
168.07388	1.6
184.16460	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0705
Annotation	3,4'-Dihydroxypropiophenone
Peak:m/z	Relative Intensity
51.57466	0.2
53.03942	0.6
55.01878	1.3
55.05517	1.1
57.03434	0.2
62.38781	0.2
63.62792	0.2
65.03934	2.7
65.97250	0.2
67.05511	0.6
67.89727	0.2
68.99793	0.3
69.03432	0.7
69.07085	0.5
70.99249	0.2
71.01346	0.3
73.02919	8.4
78.04715	1.4
79.01860	0.2
79.05497	2.3
81.03400	0.5
81.07065	0.9
83.04979	1.6
83.64230	0.2
88.07060	0.2
91.05480	1.8
93.03432	0.5
93.07041	2.9
95.04967	3.2
95.08617	0.6
97.02894	0.3
97.06528	0.7
100.32550	0.2
103.05458	1.0
105.07056	0.6
106.04160	0.7
107.04951	1.2
107.08592	2.1
109.02897	0.3
109.06525	1.2
109.10204	0.2
109.91492	0.2
111.04452	1.9
111.08067	0.5
119.04944	3.0
119.47308	0.2
121.02868	100.0
121.06489	5.0
121.08401	0.7
121.10120	1.6
122.03165	1.5
122.06837	0.3
123.04421	2.3
123.08051	0.3
124.05216	0.7
125.06007	0.5
125.09565	0.5
131.08545	0.4
137.02374	0.2
139.03897	0.6
139.07529	0.9
139.11183	0.4
143.53082	0.3
144.03239	0.5
149.02309	0.7
149.05986	20.2
149.09595	1.1
149.11523	0.4
150.06354	0.3
151.03900	0.6
152.04730	0.5
167.03400	1.0
167.07037	14.1
167.10670	1.1
188.96268	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0704
Annotation	ISOPEONOL
Peak:m/z	Relative Intensity
50.01579	0.3
51.02383	0.4
52.03154	0.4
53.03943	2.1
54.48842	0.3
55.01852	1.2
55.05495	1.0
55.83411	0.3
57.03426	0.5
59.04980	0.4
65.03940	1.1
66.04711	0.8
67.05514	1.7
69.03419	1.4
69.07076	1.9
70.06590	0.4
71.04987	0.5
72.08144	0.4
77.03921	0.7
78.04712	15.5
79.05079	0.4
79.05492	5.8
79.44066	0.3
81.03407	0.9
81.07058	3.6
83.04997	1.4
83.08605	0.5
85.02888	0.3
90.72281	0.3
91.05473	1.9
93.03403	0.8
93.07041	4.5
94.04189	1.0
95.04957	3.3
95.08588	1.7
96.05725	1.0
97.02868	0.5
97.06539	1.4
98.21567	0.5
105.03395	0.9
105.04489	0.8
105.07032	1.1
106.04180	6.5
107.04981	2.6
107.08591	4.2
107.65123	0.3
109.02882	2.4
109.06512	1.6
109.10169	0.8
111.04465	0.7
111.08085	1.1
120.02061	0.6
121.02869	1.0
121.06482	1.5
121.08456	0.7
121.10142	3.8
122.03658	2.1
122.09604	0.4
123.04428	30.7
123.08047	1.4
123.11671	0.6
124.05233	7.9
125.05968	1.4
125.09622	1.1
131.08568	0.7
134.03624	1.3
135.04440	1.3
136.18457	0.3
137.02391	0.4
137.05962	1.3
138.03107	0.5
138.06786	0.3
139.03906	0.3
139.07529	1.6
140.03445	0.3
142.82666	0.3
143.15759	0.3
144.03305	0.5
147.04378	0.3
149.02341	1.5
149.06004	0.4
149.09630	1.6
149.13216	0.3
151.03909	5.8
152.04700	4.9
152.05954	0.5
165.05492	0.3
167.03380	1.6
167.07037	100.0
167.10666	2.6
167.14313	0.9
168.04169	0.6
168.07417	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.019
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14351	0.9
52.42143	0.9
53.03931	1.0
55.01858	3.7
55.05491	1.3
56.96563	6.6
57.03429	7.5
58.99581	1.4
58.99857	7.0
61.01150	4.9
61.02916	2.7
61.69453	0.9
65.03966	1.1
67.05495	1.6
67.80836	0.8
68.98281	2.8
69.03425	8.5
69.98346	1.1
70.99857	9.5
71.01341	1.8
71.04987	1.5
71.99949	1.3
72.08153	1.2
72.99606	1.4
73.02909	6.7
75.01878	1.2
77.00921	5.9
79.05479	2.4
81.03417	5.4
81.04526	1.9
81.95055	1.7
82.01438	2.6
82.94821	2.2
82.99847	4.7
83.04979	2.4
84.04494	1.2
84.08151	2.3
84.96029	1.5
84.99601	3.0
85.01412	1.0
85.02905	6.2
86.99324	3.2
87.00845	0.9
87.02673	4.3
87.04469	1.2
87.99395	0.9
88.02708	1.8
89.00876	4.1
91.02452	1.7
91.05476	1.7
93.01878	2.1
93.07037	2.2
94.99835	2.2
95.01321	1.6
95.03442	0.9
95.04951	1.8
95.50302	0.9
96.02433	1.6
97.01395	2.3
97.02887	6.6
98.01463	1.2
98.97567	3.3
99.04447	1.8
100.02486	10.9
101.00211	2.1
101.00887	42.9
101.01583	2.0
101.02542	2.6
102.00974	3.8
102.02358	3.5
103.00639	38.5
103.01294	2.4
103.02431	4.1
103.05464	1.0
105.00354	3.8
105.03723	12.7
106.00430	1.2
107.04942	1.1
107.08582	1.0
108.02343	1.4
108.04326	0.8
109.01486	1.0
109.02134	6.0
109.02871	2.0
109.10214	0.8
111.02943	2.6
111.04425	2.0
111.52990	0.9
112.07609	1.6
113.00870	29.5
114.04036	0.9
115.01215	4.3
115.02433	10.7
115.03176	1.9
115.54762	1.5
116.02605	4.9
116.98605	1.2
117.02157	1.9
117.02914	1.8
117.03994	1.9
118.01217	0.9
118.02634	7.4
118.03521	3.6
118.52757	1.9
119.01925	93.3
120.01997	9.5
120.03312	1.3
120.52927	4.2
121.01670	92.9
121.06500	3.1
121.08434	2.1
122.02119	1.0
122.06994	1.4
122.97693	1.5
123.01984	1.0
123.02939	1.6
123.04426	1.2
123.97473	1.9
125.00867	1.4
125.02454	1.6
125.05990	1.3
126.00759	0.9
126.02253	5.9
126.98777	2.2
127.02435	5.2
127.03956	1.7
127.14069	0.8
129.02917	1.6
129.03876	2.2
129.53389	2.2
130.08708	1.2
131.01910	100.0
132.01959	5.3
133.01540	1.0
133.02448	1.6
133.03468	10.6
134.03560	4.0
134.52646	2.5
135.03075	1.2
136.05200	1.2
137.02957	12.1
138.03127	2.1
139.02682	24.7
139.07593	0.9
139.09752	1.3
139.82996	0.8
142.03479	2.0
143.01895	16.3
143.03639	2.2
143.53183	33.0
143.95087	1.2
143.96144	1.3
144.03268	67.0
144.53101	2.1
144.99844	5.0
145.01677	1.4
145.03467	23.3
146.99655	0.9
147.01379	2.2
147.05028	4.0
149.03030	14.0
149.09570	0.9
152.53737	6.9
153.03865	1.7
153.53612	0.9
154.03497	2.0
155.01813	3.6
155.03851	1.1
157.03481	20.3
158.03632	10.2
158.06612	1.6
159.01349	1.7
161.02956	15.0
161.04266	1.3
161.04813	1.0
161.96130	1.2
162.03090	19.4
162.04323	11.8
162.06097	1.9
162.95868	1.4
163.00893	2.9
163.02751	4.0
163.04564	7.0
167.01904	6.8
167.03410	3.6
167.04790	1.7
167.06941	5.0
167.09146	2.5
167.10464	1.1
168.05106	2.1
168.06456	1.8
169.03510	1.8
171.01407	2.1
171.05075	1.6
173.03012	3.7
175.04544	3.8
177.02504	1.4
179.04108	1.0
180.04129	3.3
185.02957	30.5
185.04518	1.3
186.03127	12.1
186.05965	1.1
188.07616	1.3
189.00752	1.1
189.02437	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0864
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
51.02398	0.1
53.03941	0.2
60.64334	0.1
67.05497	0.6
68.05847	0.3
69.07060	0.2
69.82664	0.5
71.05004	0.1
77.03953	0.1
78.04707	0.2
79.05499	1.9
80.05007	0.2
80.05825	0.2
81.07061	0.3
82.07388	0.4
83.04964	0.1
83.93042	0.4
91.05476	1.1
92.05795	0.3
93.06483	0.2
93.07053	2.7
94.06572	0.2
94.07375	0.2
95.04961	0.3
95.08638	0.2
96.04484	0.1
96.05330	0.2
96.08934	0.3
101.94132	0.1
102.01008	0.1
103.05476	11.4
104.05750	0.1
105.07014	0.3
106.07361	0.4
107.04964	2.2
107.08585	0.2
108.08931	0.1
109.06538	0.2
109.10153	0.2
110.06831	0.1
110.10498	0.2
118.06586	0.2
119.07343	0.1
119.08548	0.1
120.08113	100.0
120.35590	0.1
121.06525	0.8
121.08462	1.4
121.10125	0.3
122.10481	0.3
123.04409	0.6
123.08106	0.1
124.08418	0.1
131.04938	2.1
136.07605	0.2
137.05934	0.1
138.05466	0.2
138.10019	0.5
142.96722	0.8
148.04874	0.2
148.07585	0.3
148.12067	0.6
149.02310	0.2
149.05959	0.5
151.03891	0.2
166.04961	0.5
166.08589	1.7
166.13202	0.6
167.07060	1.7
167.10751	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00327	0.5
55.01872	3.4
55.05508	1.1
56.96562	3.5
57.03439	7.7
58.13595	0.5
58.99587	1.1
58.99860	7.5
61.01145	4.4
61.02921	3.3
65.03928	0.8
66.01377	0.8
66.92724	0.7
67.05502	0.8
67.92513	1.1
68.02638	0.5
68.05048	0.7
68.98296	3.1
69.03429	7.2
69.07054	0.9
69.98379	0.9
70.06586	1.1
70.99854	7.7
71.01359	1.3
71.04987	1.0
71.99950	0.7
72.08138	0.6
72.99587	0.7
73.02919	6.0
77.00920	5.6
78.00963	0.9
79.05489	1.8
81.01900	1.1
81.03404	4.1
81.04546	1.6
81.07081	0.6
81.95092	1.4
82.01440	2.9
82.02705	0.6
82.94853	1.6
82.99838	3.4
83.00807	0.8
83.04972	1.2
84.08148	3.0
84.96011	0.6
84.99611	2.7
85.01411	2.1
85.02906	5.8
86.03672	0.7
86.99340	4.2
87.01949	0.8
87.02689	3.0
87.04482	0.6
87.99429	1.4
88.02688	0.9
89.00909	3.6
90.02441	0.6
91.02444	0.9
91.05482	0.8
93.01906	1.8
93.07032	1.6
94.02682	1.3
94.99856	1.9
95.01253	0.8
95.03410	0.6
95.04980	1.0
96.02434	1.5
97.00120	1.2
97.01375	2.5
97.02882	5.5
98.01467	1.2
98.02144	0.6
98.97570	2.8
99.01891	1.2
99.04465	1.2
100.00126	0.9
100.02488	10.0
101.00883	41.5
101.02562	1.4
102.00967	3.4
102.02367	3.3
102.52475	0.7
103.00639	35.5
103.01260	1.8
103.02434	4.1
103.54765	0.7
105.00376	4.0
105.02182	0.7
105.03722	8.8
106.00445	0.9
106.52716	0.6
107.04917	0.7
107.08610	0.9
108.02413	1.9
108.52480	0.8
109.01385	1.3
109.02127	4.5
109.02902	2.4
110.01237	0.7
110.02039	0.9
111.02905	2.9
111.52926	0.8
112.07579	1.2
113.00870	28.1
113.02378	1.2
114.00965	1.7
114.02386	0.6
115.01231	3.0
115.02425	10.9
115.02990	0.4
115.03226	0.7
115.04004	1.1
115.54743	1.3
116.02586	5.5
116.98617	1.6
117.02085	1.8
117.02885	1.0
117.03974	1.2
118.01179	1.3
118.02650	5.8
118.03534	3.1
118.04245	1.1
118.52759	1.9
119.01920	84.1
120.02000	9.3
120.03310	1.0
120.52920	3.0
121.01667	93.7
121.02310	4.1
121.06512	1.1
121.08434	1.2
121.52811	0.7
121.54750	1.1
121.99371	0.7
122.02083	1.0
122.07078	1.0
122.97691	1.0
123.01922	1.1
123.02949	1.6
123.97436	1.0
125.00872	0.9
125.02617	0.7
125.52049	0.9
126.02254	4.8
126.05511	0.6
126.93742	0.6
126.98756	1.9
127.02419	4.8
127.03972	0.7
128.98567	1.2
129.03036	0.8
129.03984	2.1
129.53445	4.0
130.08679	1.4
130.53308	0.7
131.01904	100.0
132.02065	5.0
132.03386	0.8
132.05095	0.7
133.02318	1.8
133.03430	10.2
134.03609	3.8
134.52618	2.0
135.01253	0.6
135.03169	1.0
135.05026	0.9
136.05208	1.0
137.02959	11.1
138.03119	1.8
139.02687	27.2
140.03296	0.6
141.03914	1.2
142.03474	1.2
143.01901	13.6
143.03638	2.0
143.53174	26.2
143.95067	0.8
143.96104	0.9
144.02087	3.2
144.03252	60.8
144.05080	2.6
144.53082	3.2
144.99829	7.7
145.01637	1.4
145.03464	25.3
146.01299	0.7
146.03564	0.9
146.99629	0.8
147.01369	2.4
147.03165	1.0
147.05045	3.8
149.01131	0.8
149.02975	12.8
150.02979	0.7
151.04512	1.0
152.53679	5.6
153.03857	0.9
154.03473	2.1
155.01859	2.7
155.03917	2.1
157.03467	17.8
158.03610	9.6
158.06642	1.0
158.99635	0.9
159.01378	1.2
159.05063	1.3
159.06657	0.5
160.01285	0.8
161.02956	16.8
161.96104	0.8
162.03084	17.9
162.04324	10.7
162.06134	1.6
162.95912	1.4
162.99081	0.7
163.00851	2.1
163.02759	3.5
163.04512	5.1
164.02267	0.6
167.01894	6.1
167.03416	2.2
167.07047	2.9
167.09021	1.7
167.10466	0.7
168.01384	1.1
168.05045	2.4
168.06421	1.1
171.01422	1.4
171.04956	1.2
173.02927	3.3
173.98225	0.6
175.02557	0.8
175.04497	2.8
176.04666	0.7
176.07692	0.8
177.02501	1.4
180.04076	3.2
181.03694	0.9
185.02962	32.0
185.04561	1.8
186.03104	9.3
186.05887	0.8
188.07707	1.7
189.02438	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0863
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
59.18887	0.1
69.22892	1.6
69.23183	0.2
77.03902	0.4
79.05492	1.9
91.05499	0.8
93.07047	2.8
98.20715	0.3
103.05471	12.8
104.05811	0.3
105.85903	0.2
107.04963	2.3
118.06534	0.2
118.68820	0.2
120.08108	100.0
121.08468	1.4
131.04921	2.1
148.65816	0.2
149.06058	0.4
166.08675	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1276
Annotation	Norecasantalal
Peak:m/z	Relative Intensity
53.03945	2.8
55.01868	3.5
55.05513	6.3
57.03431	7.6
59.37743	1.5
67.05508	43.3
69.03426	5.1
69.07074	7.7
69.80087	4.9
71.04993	1.9
79.05500	40.1
81.07061	74.5
82.07392	1.3
83.04991	8.4
83.08602	1.6
84.62271	1.3
85.06539	6.9
87.03859	1.4
91.05488	43.3
93.07053	35.8
94.85172	1.4
95.04992	9.8
95.08609	27.2
97.06535	11.8
105.07039	73.8
107.08595	26.2
109.06516	14.6
109.10166	6.5
117.07021	1.8
119.08587	55.3
121.10149	63.0
123.08065	8.3
123.11711	8.6
132.54678	1.5
137.09650	5.1
144.56122	1.4
145.10127	2.3
147.04390	3.0
147.11696	100.0
147.69203	1.3
162.79131	1.4
165.12764	87.6
166.13188	2.0
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	4-Nitroacetophenone
Peak:m/z	Relative Intensity
52.67556	0.3
53.03959	0.9
55.01873	1.5
55.05510	0.6
56.02201	0.7
56.96572	0.7
65.03946	2.0
65.92636	3.0
67.05501	3.2
68.05032	1.7
68.05856	0.5
69.03445	0.8
69.07054	0.4
70.06597	1.4
71.47826	0.6
72.93805	0.4
74.02458	0.7
78.04735	0.7
79.05498	3.5
80.05043	1.1
80.94968	4.5
81.07069	1.5
82.06596	1.0
82.07404	0.4
83.04998	0.6
83.93050	1.7
83.93671	0.9
84.08168	1.0
85.94615	0.4
90.04288	0.4
91.05473	3.0
92.05014	1.3
92.05820	3.6
93.07050	5.0
94.06588	1.4
95.04984	2.6
95.06081	0.6
95.08603	2.0
96.04506	1.3
96.05299	0.6
96.08147	0.4
97.02887	1.1
97.06575	0.5
98.97640	0.4
101.00893	0.5
101.94091	0.4
102.00993	1.3
103.05474	11.1
105.07076	0.4
106.02943	0.6
106.04906	0.4
106.06578	0.7
106.07310	0.5
107.04961	4.5
107.08615	1.5
108.04493	1.7
109.06532	0.6
110.06049	1.0
110.09679	1.1
110.10448	0.5
111.04458	0.5
119.01939	1.4
119.04968	1.6
120.02020	4.1
120.04468	2.4
120.05298	7.6
120.08110	96.1
121.01655	0.5
121.02891	4.3
121.06519	6.0
121.08439	0.8
121.10160	0.8
121.97563	2.9
122.06034	1.5
123.04437	2.2
124.03960	6.4
124.04813	2.0
124.07611	0.9
124.93916	1.2
125.02401	1.2
125.05952	0.5
125.09591	0.4
131.04927	2.9
136.03905	0.5
136.04793	0.5
136.07591	0.7
137.06017	0.6
138.03035	0.5
138.05475	5.2
138.06328	0.5
138.09132	4.5
138.10120	0.7
139.03909	0.4
139.07574	1.0
142.03514	0.8
142.95016	1.8
142.96718	4.9
143.03639	3.0
143.53212	0.4
148.03934	33.1
148.04805	8.6
148.07433	2.6
148.08565	0.5
149.02353	1.0
149.04393	0.9
149.05984	1.6
149.09650	0.7
158.32668	0.5
160.96021	4.0
161.04684	0.6
166.04997	100.0
166.08559	8.9
166.12296	1.1
167.03397	0.9
167.05350	1.4
167.07037	5.8
167.10764	0.7
183.97607	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05862	0.5
53.03942	0.9
54.03469	1.3
55.05523	0.8
56.01397	1.3
56.05043	3.1
59.06117	0.8
59.85156	0.5
63.09381	0.6
67.03008	0.9
67.05516	1.5
68.05025	1.7
69.03414	0.9
69.04598	0.6
70.06580	0.8
70.65815	1.5
80.05026	1.7
81.04552	2.8
81.07059	1.7
81.66017	0.6
82.06602	1.5
82.99853	5.3
83.02470	8.6
83.06103	4.0
84.05596	0.7
84.21986	0.6
91.05474	2.1
93.07063	0.6
95.04979	3.8
95.06103	2.0
95.08597	0.9
96.05664	0.7
97.07658	2.8
97.64089	0.5
98.07191	1.7
101.00888	40.2
105.03409	0.6
107.06107	2.4
109.06546	0.9
109.07619	0.9
110.07202	0.8
111.07992	1.0
111.09192	0.8
118.03500	0.7
119.01931	100.0
119.04922	3.4
120.02035	2.5
121.06513	2.1
121.07544	0.5
122.07172	4.3
123.04404	3.1
123.06676	1.7
123.08031	1.4
123.09181	2.8
124.02460	8.6
124.05059	2.7
124.08717	6.8
125.09508	2.1
136.08693	0.6
137.02963	19.4
137.05965	1.2
137.09521	0.8
138.06657	0.8
138.10246	0.8
138.69392	0.6
142.03511	71.0
142.96780	0.7
143.03633	2.4
147.04434	3.1
148.08705	3.6
160.04567	15.6
160.18881	0.5
165.05183	8.9
165.07724	4.0
165.09132	1.6
165.11362	6.8
165.12695	1.4
166.09834	0.7
183.06190	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22563	0.5
54.72153	0.6
58.67398	0.6
70.89096	0.6
70.89417	1.0
82.01441	1.4
82.99843	14.3
83.01534	0.6
98.21443	0.7
100.02476	1.2
101.00887	85.3
102.00993	1.9
108.62817	0.6
111.00473	1.4
119.01927	100.0
120.02013	2.1
124.02446	15.4
137.02963	10.7
142.03503	79.0
143.03572	2.3
155.54903	0.6
160.04558	9.8
165.05069	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96551	0.9
64.68650	0.5
70.43022	1.6
71.43861	0.6
74.38347	0.6
80.94984	0.8
82.01460	1.1
82.99848	11.9
83.00308	1.0
88.48113	0.5
95.04983	1.2
95.82759	0.6
100.02494	1.0
101.00888	83.7
102.01000	2.0
111.00449	1.0
119.01928	100.0
120.02018	2.7
123.04440	1.2
124.02457	14.9
137.02965	12.8
139.62521	0.6
142.03506	85.2
143.03654	2.0
151.00627	0.5
160.04572	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	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02379	1.3
53.03949	6.0
55.05518	7.2
57.07079	1.3
65.03941	1.9
67.05511	21.9
69.07076	8.3
69.09823	0.7
72.90543	0.7
77.03922	2.1
79.05500	46.2
81.07061	34.5
82.07410	1.1
83.08615	5.6
85.02935	1.1
89.03902	0.9
91.05488	23.2
92.02619	1.1
93.07050	48.0
93.25753	0.9
95.04983	5.7
95.08613	34.6
97.10195	1.4
99.29856	0.7
103.05449	1.1
105.03395	2.0
105.04524	3.2
105.07030	3.7
107.04967	27.9
107.08602	40.1
109.10144	2.5
110.23869	1.0
110.59228	0.8
119.04953	12.8
119.08591	1.9
121.06507	0.8
121.10153	56.3
122.06010	1.2
122.10502	1.2
130.06508	1.0
131.04927	0.9
132.08090	1.5
133.02864	10.3
135.04439	14.1
135.11699	4.9
136.04816	0.9
145.10162	1.6
163.03917	100.0
163.11163	6.1
163.14839	37.2
164.04213	2.6
164.15112	1.0
164.22011	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1483
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.03950	1.9
55.01874	0.5
55.05513	6.3
57.07076	0.8
65.03949	1.7
67.05511	2.9
69.03451	0.6
69.07071	20.7
71.08633	0.5
71.49018	0.6
72.73879	0.3
72.88377	0.3
74.15965	0.3
77.03920	1.3
79.05499	16.9
81.07059	21.6
82.07368	0.4
83.08621	5.3
89.03943	2.3
89.04401	0.4
91.05485	17.3
92.02644	0.4
92.06279	0.4
93.07048	36.3
94.07374	0.7
95.04967	1.5
95.08612	19.0
96.08924	0.4
98.51584	0.3
103.05472	16.9
104.05788	0.4
105.03399	0.4
105.04554	0.9
105.07038	8.8
106.04229	0.4
107.04962	16.5
107.08599	100.0
108.08911	1.8
109.06509	1.3
109.10173	1.1
115.05468	0.8
117.03375	2.3
117.07025	1.4
119.04955	5.0
119.06023	1.8
119.08593	2.7
120.09375	0.4
121.06519	1.4
121.10148	32.3
130.06529	0.4
130.07802	0.5
131.04935	19.1
132.05261	0.6
132.08136	1.0
133.02861	1.1
133.07596	0.5
133.10139	0.4
133.86900	0.3
135.04428	6.2
135.05429	0.6
135.08072	1.1
135.11693	14.2
136.07587	0.8
145.02846	1.2
145.03922	0.5
145.06487	0.6
145.10107	2.4
148.05176	0.6
148.08821	0.5
161.13326	0.4
163.03917	33.8
163.07536	6.9
163.08791	0.7
163.11195	7.1
163.14827	38.7
164.04317	0.9
164.07004	0.4
164.15160	1.2
169.60912	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1483
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02378	1.2
53.03954	6.0
53.96584	0.4
55.05521	4.8
57.07074	0.7
60.45885	0.6
61.02926	3.3
65.03932	0.8
67.05511	14.3
68.99786	1.0
69.03436	1.0
69.07074	6.6
70.80379	1.5
73.02911	0.9
77.03922	1.9
79.05501	34.4
81.07061	22.8
81.74043	0.6
82.07404	0.5
83.08617	3.2
85.02906	2.3
89.03909	1.3
90.42925	0.5
91.03954	1.1
91.05488	17.9
92.02628	2.0
92.05793	0.6
93.07053	30.1
95.04980	5.1
95.08618	20.4
97.02895	1.1
97.10198	0.9
103.05457	1.1
105.03387	2.6
105.04529	3.0
105.07036	2.1
106.06523	0.6
107.04969	26.4
107.08606	28.6
108.05258	0.7
109.10150	1.8
117.07040	0.8
119.04952	11.7
119.08582	1.5
121.06496	1.1
121.10155	34.8
130.06535	1.5
131.04919	1.1
132.08090	2.4
133.02863	12.2
135.04428	13.7
135.11711	3.6
140.63806	0.6
141.10742	0.5
145.02809	0.7
145.10110	1.0
163.03922	100.0
163.11154	4.6
163.12395	1.6
163.14836	22.5
164.04248	1.7
164.07068	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.039
Annotation	UMBELLIFERONE
Peak:m/z	Relative Intensity
53.03948	0.8
55.02384	0.3
55.37071	0.3
57.98214	0.2
59.95580	0.3
61.66394	0.3
65.03951	1.4
68.99792	0.6
69.14399	0.3
69.31941	2.6
69.32264	0.5
77.03951	0.5
79.05495	1.5
88.22284	0.3
91.05487	18.0
91.81323	0.3
92.05809	0.4
95.04964	0.5
101.25356	0.3
105.04520	0.6
107.04960	40.1
107.08574	0.6
110.40820	0.3
119.04945	22.0
120.05280	0.5
135.04437	2.5
163.03908	100.0
164.04225	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	163.039
Annotation	UMBELLIFERONE
Peak:m/z	Relative Intensity
53.03949	1.3
65.03939	2.3
66.89673	0.4
69.62469	2.3
71.77641	0.4
77.03936	0.4
79.05506	2.4
89.03914	3.1
91.05480	2.8
93.03432	0.5
95.04960	0.6
105.04498	0.7
107.04962	100.0
108.05285	1.8
117.03384	0.7
119.04938	3.6
121.02868	0.4
131.04915	0.4
135.04427	24.1
136.04680	0.4
145.03978	11.0
150.85667	0.3
152.90172	0.4
163.03912	40.4
164.04224	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.039
Annotation	Umbelliferone
Peak:m/z	Relative Intensity
51.02390	0.7
53.03954	3.1
59.61557	0.6
63.02381	2.4
66.67724	0.6
67.81461	0.6
69.53806	3.4
69.54222	0.9
77.03932	1.1
78.57352	0.6
78.69732	0.6
79.05492	11.0
89.03922	79.6
90.04266	1.5
91.05472	3.5
95.04986	2.0
98.20761	1.2
103.05472	1.0
105.04513	1.2
107.04960	21.6
107.08622	0.7
108.05299	0.6
117.03384	72.6
118.03710	1.1
119.04937	4.4
119.97366	0.6
131.04916	1.2
135.04419	100.0
136.04765	1.6
145.02859	46.5
145.03937	3.0
146.03189	1.3
150.17532	0.6
163.03909	93.6
164.04211	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0391
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.00303	0.8
53.03926	2.7
58.94597	0.8
63.02375	2.4
69.19491	1.3
69.19888	5.4
71.32478	0.8
72.87450	0.7
79.05490	10.6
89.03922	81.9
90.04248	1.5
91.05453	1.4
95.04977	1.9
105.04510	1.8
107.04963	19.3
117.03386	72.3
118.03706	1.6
119.04954	1.3
135.04422	100.0
136.04732	1.2
145.02859	44.1
145.03938	2.9
146.03188	1.0
158.19417	0.9
163.03914	84.5
164.04201	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39147	0.2
62.51319	0.2
69.83697	1.0
77.69343	0.2
82.99847	6.1
83.99927	0.4
95.45820	0.2
97.00080	0.2
100.02485	0.3
101.00888	50.7
102.00948	2.4
103.00679	0.2
106.16401	0.2
109.48151	0.2
111.00438	0.6
115.01168	0.4
115.97083	0.5
119.01929	100.0
120.02007	3.7
121.02388	0.3
124.97543	0.4
127.47832	0.4
127.67007	0.2
133.03490	0.2
133.98140	0.3
136.48390	0.4
137.02963	15.7
137.48209	0.3
138.03098	0.5
142.03511	1.0
143.01888	0.7
143.03596	0.8
144.03250	0.4
145.48909	0.6
151.02559	0.6
151.47824	0.2
157.03571	0.3
158.53711	1.0
159.03873	0.4
161.02950	5.4
161.04036	0.3
162.03156	0.3
167.54239	0.2
173.02362	0.5
179.04012	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	163.0391
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03955	1.8
53.78292	0.7
63.02380	2.3
68.99789	1.3
69.76351	4.7
79.05501	12.7
89.03923	90.0
90.04249	2.2
91.05504	3.7
95.04955	2.8
98.20747	1.0
103.05448	1.2
105.04531	1.8
107.04970	24.3
117.03391	77.5
119.04945	3.4
131.04918	1.2
135.04425	100.0
136.04793	1.3
145.02863	48.6
145.03893	2.5
146.03171	1.2
163.03917	97.4
164.04218	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.1334
Annotation	DL-2-Aminooctanoic acid
Peak:m/z	Relative Intensity
56.05037	0.3
57.05820	0.5
58.06606	7.7
65.31237	0.3
65.87157	0.2
66.38431	0.3
69.07088	0.4
70.06615	0.2
70.23705	0.8
70.24063	0.3
71.07380	1.0
72.08161	16.4
73.01963	0.2
79.33072	0.2
83.40478	0.2
98.97559	0.4
100.98139	0.2
114.12814	100.0
115.05435	0.6
115.13161	1.6
132.08096	0.3
160.07593	2.8
160.13341	14.5
167.58366	0.2
168.82567	0.3
179.21945	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07860	0.2
58.73022	0.2
71.06214	0.3
82.01438	0.2
82.99843	6.5
83.99897	0.3
100.02478	0.4
101.00884	52.9
101.95064	0.2
102.00948	2.1
103.00680	0.4
103.01327	0.2
111.00430	0.6
115.01189	0.4
119.01923	100.0
120.02003	4.3
121.02386	0.3
124.02445	0.2
124.97573	0.4
125.02652	0.2
133.98039	0.2
136.48366	0.3
137.02959	14.9
138.03099	0.7
142.03542	1.0
143.01897	0.6
143.03632	1.2
144.03255	0.2
145.48868	0.3
151.02536	0.3
154.03381	0.2
158.53712	0.4
161.02957	5.2
161.04153	0.4
173.02386	0.6
179.04012	4.4
180.73335	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13701	0.3
50.54056	0.3
52.15134	0.3
58.29446	0.2
70.06594	1.1
71.17114	0.3
72.17395	0.3
73.86528	0.3
101.00883	0.4
114.09184	0.7
116.04745	100.0
117.05067	1.3
119.01953	0.6
152.31738	0.3
160.03708	12.2
160.09735	1.0
174.98308	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0759
Annotation	2721-59-7
Peak:m/z	Relative Intensity
55.05489	0.3
56.05034	0.4
56.96570	2.1
58.06600	3.5
59.93106	0.4
67.04256	1.7
69.03428	0.6
69.75208	1.4
70.06593	0.7
70.98127	0.5
71.70055	0.2
71.95268	0.3
72.08158	6.6
73.02921	0.3
79.05491	0.6
81.03402	0.4
82.99834	0.5
84.08128	0.3
85.02885	0.3
91.05479	0.9
94.04176	0.4
97.02908	0.6
98.09663	0.4
98.97589	2.7
99.97918	1.2
100.97202	0.5
101.00892	2.9
101.06038	0.3
101.95021	0.7
102.53139	0.4
102.90819	0.3
103.05492	0.4
105.07036	4.4
107.05035	0.3
111.53724	0.3
112.07613	0.9
114.12814	51.0
115.05463	16.3
115.06288	0.6
115.13146	0.3
116.04990	0.3
116.05786	0.3
116.98617	1.1
117.05770	9.5
117.07052	0.7
117.98972	0.3
118.06514	0.9
118.96772	2.4
119.01926	5.0
130.06537	0.8
130.08641	0.6
131.04951	0.7
131.07274	0.6
132.08093	18.4
133.05257	1.4
133.06494	3.7
133.08408	0.6
137.02957	0.6
140.05006	0.5
142.03516	1.8
142.06519	3.9
143.07338	2.2
145.05186	0.4
146.06039	0.5
151.06351	0.4
154.96440	0.9
159.06821	3.6
160.07587	100.0
160.13335	7.4
161.07939	2.2
161.45155	0.2
179.04155	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.117
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34831	0.5
53.03952	0.6
57.32285	0.6
65.03948	0.6
65.47127	0.6
67.05506	4.4
69.23408	4.8
70.06586	4.4
72.04519	0.7
76.92931	1.0
76.93384	4.8
79.05511	3.5
81.03422	0.7
81.07068	3.5
91.05492	18.0
92.51311	0.6
93.07037	0.9
94.94435	1.7
95.05038	0.6
96.04498	1.0
96.08134	0.9
98.97603	0.7
103.05491	1.2
105.07042	16.3
106.04378	0.6
111.04530	1.0
111.59721	0.5
113.02388	3.8
114.05551	1.5
114.09177	2.3
115.05444	4.7
116.06293	2.7
117.07027	48.5
117.96001	5.1
118.96746	0.8
119.08581	4.0
128.06181	0.7
129.07010	11.7
129.07933	0.8
130.07797	15.0
131.04958	6.4
131.08580	84.0
132.08934	2.0
135.97063	1.9
137.65828	0.6
141.01845	13.1
141.19110	0.6
142.07660	0.8
143.08598	0.6
144.09346	10.1
157.10107	2.3
159.03116	0.8
159.04407	1.7
159.08231	3.3
159.11702	100.0
160.07526	0.8
160.09721	1.5
160.11995	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	159.1169
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
55.32800	0.6
67.05514	4.3
70.06600	2.9
71.37457	1.0
74.55943	0.5
76.93360	4.0
79.05513	4.5
81.07058	3.5
91.04916	0.9
91.05485	18.1
91.06027	1.1
93.07073	1.9
94.94453	1.7
96.08148	0.7
98.97624	0.7
103.05479	2.1
105.07043	14.1
113.02374	4.1
113.07106	0.8
114.05544	0.7
114.09192	1.9
114.12776	0.6
115.05476	5.2
116.06225	2.0
117.07024	52.8
117.95987	4.9
118.07248	0.7
119.08595	5.8
128.06181	0.7
129.07016	11.5
130.07796	15.9
131.04956	5.1
131.08577	88.8
132.06613	0.6
132.08905	2.2
135.97035	1.4
141.01849	11.8
142.07748	0.8
143.08559	0.8
144.09354	9.8
157.10110	3.2
159.04451	2.5
159.08049	2.1
159.11702	100.0
160.09750	1.2
160.12021	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	159.117
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
52.09391	0.5
59.33527	0.7
67.05508	3.5
69.36042	4.0
69.36464	1.3
70.06595	1.6
71.49844	0.6
76.93369	2.0
79.05479	3.7
81.07063	2.9
85.32395	0.6
86.06062	0.7
91.05483	16.1
93.07041	2.3
103.05469	1.7
105.06400	1.2
105.07037	13.6
105.07703	1.1
112.28403	0.6
113.02364	2.0
114.05501	0.7
114.09193	1.6
115.05449	5.3
116.06242	2.8
117.07026	50.8
117.95980	1.3
118.07276	0.8
119.08618	4.4
129.07004	9.2
130.07793	14.1
131.04910	3.2
131.08572	85.4
132.08949	1.6
141.01828	5.2
143.08510	0.7
144.09357	8.7
157.10181	3.0
159.02310	0.6
159.04372	1.3
159.08054	1.6
159.11700	100.0
160.09758	0.9
160.12018	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	159.0442
Annotation	1,2-Naphthoquinone
Peak:m/z	Relative Intensity
53.03957	1.9
53.31473	0.4
57.05899	0.4
71.33240	0.6
71.33606	0.4
77.03939	0.8
80.14263	0.4
91.05496	0.5
94.07571	0.4
95.04957	1.4
99.50267	0.4
102.04722	0.6
103.05477	8.9
105.04549	0.7
105.07004	0.8
117.07012	0.7
129.07033	0.5
131.04936	100.0
131.08588	1.4
132.05292	2.3
141.01868	1.3
159.04425	38.8
159.07991	1.0
159.11711	3.7
160.04773	0.6
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	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
55.01884	0.6
56.96624	0.5
58.06605	0.7
67.01884	0.6
67.05515	3.7
69.03455	0.7
69.07101	0.5
70.06590	3.9
70.66792	1.1
70.67155	0.6
76.93372	7.5
79.05484	4.3
81.03439	0.9
81.07056	4.3
83.04985	0.7
85.02898	0.7
86.08962	0.6
91.05479	16.8
91.06025	1.0
93.07055	1.6
94.94421	2.5
96.08129	1.5
99.04430	0.6
100.07598	0.6
103.05486	2.9
105.07030	14.6
105.07701	1.0
106.07378	0.7
113.02367	5.6
113.07162	0.7
114.05557	1.6
114.09136	2.7
114.12822	0.9
115.05437	5.2
116.06242	2.4
117.07020	50.4
117.95984	9.5
119.08596	5.1
126.66469	0.6
128.06218	1.0
129.06996	10.3
130.07787	14.9
131.04935	12.4
131.08569	88.5
132.08899	2.4
135.97032	2.5
141.01826	19.0
141.07007	0.6
142.07704	1.1
142.08701	0.9
144.05728	0.8
144.09337	12.1
156.98651	0.5
157.10130	3.0
158.98625	1.0
159.03133	0.8
159.04395	3.5
159.08072	6.0
159.10164	3.4
159.11691	100.0
160.06149	0.9
160.07509	1.3
160.09711	1.8
160.12041	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	158.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96583	0.9
57.03446	0.6
57.07087	0.5
57.93577	1.0
59.20883	0.3
60.04540	1.0
69.07079	0.3
70.06601	2.6
71.95276	0.3
72.08159	1.9
74.93812	0.4
75.94604	0.5
76.87897	0.2
76.93388	0.8
81.07053	0.3
84.04498	0.5
84.08156	1.2
88.04012	0.3
89.03940	0.3
91.05482	2.0
93.05800	1.1
93.95690	0.4
98.06077	0.9
98.09734	0.7
98.21579	0.4
98.97588	6.1
103.05493	0.6
105.07063	0.3
108.33240	0.3
112.07617	1.5
113.02364	0.3
115.05457	2.1
115.06149	0.3
116.06273	1.2
116.07045	0.4
116.10764	0.5
116.97247	3.7
116.98615	2.8
117.01857	0.3
117.05773	4.4
117.07032	2.4
117.95979	0.7
118.06575	1.1
128.06322	0.3
129.06990	0.8
130.06540	8.0
130.07518	0.5
131.04933	1.8
131.07336	0.8
131.08577	2.6
132.08095	0.5
134.95950	0.8
134.99677	1.1
140.03444	0.3
140.07124	0.4
141.01820	0.8
141.06993	2.1
142.06491	0.8
143.07314	70.1
144.07658	1.2
152.96980	1.1
156.08078	0.8
157.08894	2.6
157.10075	0.4
158.00023	0.4
158.09660	100.0
158.15392	1.1
159.04402	0.7
159.08061	0.6
159.10004	2.5
159.11714	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.8
56.05020	0.4
56.96553	0.8
57.03428	0.4
57.07060	0.7
57.93551	1.2
69.07060	0.4
70.06591	2.3
71.07437	0.4
72.08160	0.7
74.93812	0.5
75.94615	0.5
76.93372	0.8
84.04473	0.4
84.08127	1.0
87.05594	0.3
89.03892	0.7
90.25498	0.3
91.05500	1.8
93.05785	1.1
93.95614	0.4
98.06065	1.6
98.97591	6.6
99.58158	0.3
102.09158	0.7
103.05433	1.0
112.07603	2.0
113.02388	0.5
114.09201	0.4
115.05452	2.3
116.06237	1.0
116.07011	0.5
116.97260	3.1
116.98608	3.3
117.03381	0.4
117.05779	5.3
117.07004	2.5
117.95973	0.9
118.06524	1.2
119.08513	0.3
120.10898	0.3
128.06215	3.5
128.95131	0.3
129.07028	1.4
130.06538	7.8
130.07513	0.5
131.04941	2.6
131.07254	0.5
131.08562	3.1
131.99458	0.4
132.08099	0.7
134.95872	0.5
134.99649	1.1
141.01836	1.2
141.06993	2.4
142.06557	0.9
143.07306	75.2
143.08546	18.6
144.07646	1.0
144.09259	0.4
144.42815	0.3
150.03185	0.5
152.96890	1.5
155.05975	0.3
156.08125	0.7
157.08858	2.5
157.10155	0.8
158.09657	100.0
158.10803	4.9
158.15433	0.8
159.04420	1.3
159.10135	2.3
159.11693	2.1
178.02629	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0769
Annotation	L-Histidine
Peak:m/z	Relative Intensity
55.01880	0.5
56.05037	0.8
56.96571	1.3
57.03436	0.6
58.99866	0.6
61.02925	0.4
66.91244	0.2
68.05033	0.8
69.03433	0.6
69.77383	1.0
70.06570	0.2
70.95867	0.7
70.99845	1.0
72.93784	0.2
73.01418	0.5
73.02927	0.7
74.09722	0.3
75.01059	0.4
75.82890	0.2
77.00912	0.4
78.52973	0.5
79.74160	0.2
81.03422	0.3
81.04560	0.8
82.01458	1.6
82.05326	2.4
82.06597	0.4
82.99859	1.5
83.01530	0.4
83.06110	11.2
84.01574	0.6
85.01427	1.6
85.02898	0.6
89.00890	0.5
91.02450	0.8
92.52695	0.5
93.02117	0.3
93.04536	8.2
95.01325	0.5
95.06097	7.3
96.01585	0.3
96.04459	0.2
97.02923	0.2
98.52731	0.2
98.97574	0.4
100.02492	2.0
101.00887	10.8
101.02589	0.3
102.00960	0.6
103.00607	0.3
103.02454	2.0
105.02085	0.4
109.02885	0.4
109.52187	0.2
110.07169	100.0
111.02053	0.3
111.05573	0.7
111.06836	0.2
111.07513	0.8
113.00874	0.6
114.00975	0.9
114.04044	0.3
115.00621	1.0
115.02448	2.8
117.01938	0.2
118.03521	0.5
119.01926	16.2
120.01952	0.9
121.03434	0.6
124.02423	1.6
126.04029	0.4
127.03931	0.3
128.07082	0.3
130.06273	0.2
131.00162	0.7
131.01913	1.3
132.02023	2.9
132.05057	0.5
132.95815	0.9
133.01697	2.1
133.03471	7.1
134.03548	0.4
137.02959	2.4
138.06641	0.2
138.09146	0.4
142.03506	7.8
143.03638	0.3
144.03230	0.2
145.03487	0.3
149.01228	0.8
150.03065	0.2
150.96922	0.5
151.04550	2.0
154.03400	0.3
156.02139	0.3
156.04105	0.4
156.05092	0.7
156.06622	0.4
156.07693	7.3
156.10213	0.5
157.03503	0.4
160.04567	1.0
174.03148	0.5
174.25433	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39752	1.6
56.96554	2.9
63.32404	1.6
65.79203	1.6
71.47913	2.7
74.09724	20.6
76.06029	1.5
83.06122	2.6
84.01566	2.0
86.18546	1.7
93.04540	1.7
96.96911	3.9
102.83388	1.6
103.02410	1.9
110.07173	34.0
112.05260	14.5
114.00982	3.2
130.06314	20.1
132.02014	4.1
133.01697	3.3
133.03456	5.8
149.01222	2.1
156.04221	100.0
156.07700	2.5
157.04611	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	156.077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.7
56.05033	0.9
56.96567	0.6
57.03440	0.6
58.99863	0.4
59.99942	0.2
68.05019	0.8
69.03425	0.3
69.47760	0.9
69.48169	0.4
70.06579	0.2
70.95863	0.5
70.98106	0.2
70.99866	0.6
72.93786	0.5
73.01438	0.2
73.02917	0.3
75.01948	0.1
78.52976	0.7
81.03445	0.5
81.04545	0.8
82.01450	2.0
82.05325	2.8
82.06599	0.4
82.99850	1.0
83.01361	0.2
83.06105	10.7
84.01579	0.3
84.63593	0.1
85.01418	1.1
85.02901	0.4
85.51914	0.2
87.01114	0.2
89.00913	0.2
91.02477	0.3
92.52682	0.4
93.04530	7.7
95.01333	0.4
95.06092	7.0
95.06706	0.3
97.01414	0.3
98.97570	0.4
99.04471	0.2
100.00179	0.2
100.02481	3.3
101.00884	6.9
101.02484	0.2
102.00945	0.7
102.02284	0.2
103.00651	0.2
103.02459	1.5
109.02874	0.3
110.07168	100.0
111.05547	0.6
111.06817	0.2
111.07509	1.4
111.98466	0.4
113.00858	0.9
114.00968	1.4
114.04037	0.6
115.00615	1.6
115.02437	2.7
116.02553	0.2
118.03513	0.5
119.01920	11.7
120.02023	1.0
121.01637	0.2
121.03559	0.2
123.02916	0.2
124.02499	0.9
128.07115	0.2
130.03648	0.2
130.53320	0.2
131.00145	0.2
131.01900	1.1
132.02017	3.8
132.05070	0.6
132.95787	0.8
133.01657	3.3
133.03464	7.3
134.03583	0.2
137.02956	1.6
138.03981	0.2
138.05530	0.2
138.06554	0.2
138.09113	0.4
139.02367	0.2
139.04950	0.2
142.03505	5.6
142.04625	0.3
143.03558	0.3
144.03320	1.3
144.05086	0.2
144.53081	0.9
145.03447	0.2
149.01218	0.4
150.03136	0.2
150.06163	0.2
150.96921	1.2
151.02710	0.4
151.04529	1.3
156.02002	0.4
156.03221	0.4
156.05215	1.3
156.06609	0.3
156.07686	8.0
156.10207	0.5
157.03517	0.8
158.03685	0.4
159.03996	0.2
160.04526	0.7
161.02960	0.2
168.01431	0.2
174.03084	0.5
174.04669	0.2
174.06133	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20058	0.6
53.03946	1.1
55.01868	2.6
55.05514	7.4
55.93516	2.0
57.03442	8.5
57.07080	49.6
58.07393	0.5
59.05021	0.9
65.03947	2.6
67.05508	14.0
68.99814	0.7
69.03433	3.5
69.07073	5.7
69.96174	0.7
70.06594	1.1
70.95869	14.0
71.01363	0.8
71.04990	6.9
71.08639	2.0
71.48649	1.1
72.93793	100.0
73.02945	0.8
79.05496	2.4
81.03437	1.8
81.07059	10.5
82.06586	1.8
83.04993	7.3
83.08638	0.9
84.04521	1.1
84.08152	1.3
85.02924	1.1
85.06548	7.2
88.96870	3.0
90.94830	24.4
91.05495	1.6
93.03427	0.8
93.07053	1.9
95.04977	7.1
95.08622	12.3
96.08147	0.8
97.06541	4.8
98.98486	2.4
99.04462	5.1
99.08102	1.2
100.94402	0.7
105.04550	0.7
108.95886	1.8
109.02910	1.6
109.06519	3.9
109.10165	11.8
110.02425	1.4
110.06092	1.1
110.07189	2.9
111.04447	6.6
111.08099	1.8
111.98503	6.0
112.01604	1.3
113.05997	5.0
113.96410	53.9
119.08546	0.7
123.04484	0.7
127.03944	2.9
127.07578	2.5
127.08562	0.5
129.07034	0.8
129.99536	2.1
131.96193	2.7
131.97447	21.3
132.95848	24.5
137.02342	1.2
137.06021	2.0
137.09613	3.7
137.13287	1.2
138.05484	0.7
140.04738	1.0
141.06943	0.7
149.97235	3.3
150.96889	22.9
153.07117	0.7
154.99049	0.9
155.03435	3.3
155.05206	0.8
155.07065	11.6
155.08539	4.0
155.10721	1.9
155.14276	3.0
155.97462	2.1
156.06573	0.8
156.10309	0.9
162.92116	0.6
173.98547	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.8
55.01883	2.6
55.05512	7.7
55.93539	1.3
56.05023	0.8
57.03440	6.2
57.07079	100.0
58.07407	0.6
59.05003	1.0
65.03951	2.0
67.05508	14.6
69.03432	3.5
69.05296	0.5
69.07069	9.5
69.96194	1.6
70.77773	0.8
70.78100	0.6
70.95866	14.9
70.96238	0.9
71.01358	1.0
71.04995	8.7
71.08661	1.8
71.94131	0.5
72.08175	0.8
72.93793	74.5
73.02924	0.8
79.05499	2.5
81.03429	2.0
81.07061	15.0
82.07385	0.7
83.04984	6.6
83.08618	1.1
84.04536	0.9
84.08146	0.9
85.02883	1.1
85.06548	17.3
88.96908	2.1
89.02433	0.5
90.94832	16.9
91.05504	1.7
93.03424	1.4
93.07066	2.5
95.04972	12.7
95.07993	0.7
95.08608	15.1
96.04504	0.5
97.02941	0.7
97.06538	7.7
97.10180	0.5
98.98479	2.1
99.04456	9.3
99.08092	2.4
100.94443	0.7
105.04520	0.5
107.08607	0.5
108.95846	1.0
109.02885	2.1
109.06526	5.6
109.10149	8.3
110.02399	1.4
110.06033	1.1
110.07164	1.8
111.04460	5.2
111.06911	0.4
111.08097	1.8
111.98489	5.9
112.01577	1.0
113.02456	0.5
113.06004	4.7
113.09646	0.5
113.96406	43.9
119.08588	0.6
123.04441	4.0
127.03905	4.1
127.07580	2.6
128.07028	0.5
129.99512	1.2
131.96165	3.6
131.97435	17.6
132.95842	21.8
137.02342	1.1
137.05975	1.7
137.09641	4.0
137.13254	1.4
138.01897	0.8
138.05533	0.9
140.04680	2.5
149.97217	3.4
150.96893	22.1
154.90744	0.5
154.97903	0.6
154.99045	1.2
155.03410	2.2
155.05067	0.6
155.07080	11.9
155.08841	4.2
155.10667	5.4
155.11789	0.6
155.14305	5.4
155.97426	2.4
156.06575	1.4
156.10284	0.8
173.98488	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94194	0.5
53.03953	1.2
53.85056	0.5
53.99610	0.6
55.01881	1.2
55.05522	3.7
55.93511	1.2
57.03442	4.1
57.07079	100.0
57.14949	0.5
65.03931	0.6
67.05512	9.2
68.05862	0.6
69.03410	1.6
69.07056	1.6
69.63869	4.0
69.96133	0.5
70.95864	5.7
71.04990	2.6
71.08617	0.5
72.93793	48.4
73.02906	0.6
76.46986	0.6
79.05482	1.3
81.07060	9.3
81.60011	0.6
83.04987	3.8
84.04523	0.8
85.02876	1.4
85.06081	1.0
85.06548	11.7
88.96893	0.7
90.94834	8.7
91.05470	1.3
93.03418	0.7
93.07045	1.9
95.04980	4.5
95.08610	7.9
97.06506	1.4
98.20780	0.6
98.98459	1.5
99.04475	2.3
105.04523	0.6
108.95852	0.7
109.02890	1.7
109.06500	3.8
109.10169	5.4
110.02391	1.4
110.06033	1.0
110.07153	1.6
111.04462	3.3
111.08089	2.7
111.98466	1.8
113.02444	0.8
113.06017	2.0
113.96412	29.8
123.04446	1.1
127.03918	2.3
127.07555	0.8
131.96051	0.8
131.96339	0.7
131.97453	10.4
132.95848	9.7
137.05991	0.9
137.09628	2.7
137.13304	0.7
138.05536	0.6
140.04655	0.6
141.06915	0.5
145.06474	1.2
149.97223	1.1
150.96898	7.9
153.06973	0.6
155.03427	1.6
155.04927	2.0
155.06015	1.3
155.07045	5.6
155.08546	2.4
155.10643	1.3
155.14328	4.9
156.06554	0.7
171.90280	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.9
54.93831	2.9
55.01869	1.2
55.05512	13.0
55.93536	1.7
56.05016	0.9
56.96568	34.8
56.96852	1.7
57.03423	3.1
58.99857	1.8
60.95864	0.7
61.02923	1.7
63.86097	0.7
65.03947	1.7
67.05498	2.3
69.03439	5.2
69.92668	3.8
69.96178	28.4
70.06612	1.0
70.95866	18.5
70.98119	1.8
70.99847	1.2
71.04967	0.8
71.94105	9.5
71.95250	1.0
72.93793	28.2
73.02915	2.6
73.06187	0.9
73.06565	13.2
74.38941	0.7
81.03410	2.7
81.07067	1.6
82.01440	2.7
82.05314	0.8
82.99858	1.3
83.02591	1.1
83.04984	1.5
83.06108	3.1
84.08150	0.9
84.96018	1.0
85.01402	2.0
85.02901	5.8
87.04463	0.7
88.96891	2.1
89.00826	0.8
90.94828	4.1
93.04539	2.0
94.99816	1.7
95.04977	1.4
95.06096	2.2
96.01551	1.1
96.04491	2.6
97.00130	1.1
97.02888	6.9
98.21407	0.9
98.97593	36.2
99.04473	1.3
100.02489	3.6
101.00893	10.9
101.02518	0.9
102.03366	1.5
103.02441	1.8
104.03125	1.2
105.00378	0.8
106.01035	1.3
109.02141	4.2
109.02908	2.2
109.06551	0.7
110.03062	1.4
110.07175	30.4
110.97560	5.2
110.98800	1.4
111.04457	2.0
111.98495	8.0
113.00875	22.8
113.95120	9.7
113.96383	8.3
114.00983	3.3
114.04024	1.7
115.01241	1.6
115.02445	2.4
116.98622	7.4
117.03833	1.6
118.02711	3.8
118.03452	1.0
119.01910	15.9
119.03691	0.8
119.97363	1.7
120.00760	0.7
120.02036	1.3
120.52927	1.3
121.02901	1.7
124.99131	0.8
126.51743	1.4
127.03928	2.5
128.02327	1.8
128.97797	1.4
128.98621	2.4
129.02219	5.1
129.53488	1.0
129.99492	1.4
131.01917	44.7
131.53236	1.0
131.96158	100.0
132.01981	8.6
132.05049	4.6
132.95840	29.9
132.96846	1.4
133.01653	1.6
133.03456	4.6
134.99706	0.9
137.02962	1.1
138.09132	2.8
140.01266	1.0
140.51439	1.7
141.95816	0.7
143.00142	1.4
143.01990	0.8
143.53178	15.8
144.03262	3.1
145.03458	1.1
146.04179	2.3
147.03281	9.8
149.02942	3.9
149.51956	2.6
149.97214	58.7
150.06108	1.4
150.96889	20.9
152.53696	2.4
153.03851	1.0
153.05859	0.9
154.97789	2.5
155.00208	1.4
155.01904	8.6
155.03514	1.3
155.04662	17.5
155.07053	2.2
155.08173	0.9
155.11809	3.1
155.54857	2.1
155.97429	1.4
156.03416	0.8
156.05104	0.8
156.07690	2.4
158.03635	6.1
158.99657	16.3
160.00046	0.9
161.03065	1.0
164.05225	2.8
165.04385	4.0
167.98346	1.9
172.98868	2.4
173.01437	1.0
173.02986	4.2
173.98457	0.9
174.06064	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.9
55.94606	0.5
56.96574	4.9
57.03429	2.3
58.99865	3.8
61.02930	1.2
62.41628	0.5
67.00372	0.7
68.05043	0.6
69.03429	2.0
69.33723	4.9
69.96175	3.9
70.95850	0.8
70.99847	3.4
71.01342	0.9
71.94086	1.3
72.93781	2.3
73.02915	2.3
75.01037	1.2
77.00893	1.3
78.52955	1.1
81.03423	1.0
82.01444	8.3
82.99846	5.9
83.00786	0.9
83.06093	2.4
84.01569	1.4
85.01407	3.7
85.02879	0.9
86.99343	0.9
87.93907	0.5
88.02684	0.9
89.00849	2.3
93.04530	2.0
94.99831	3.9
95.06083	1.5
95.98116	0.5
96.01566	0.8
96.04504	1.1
97.02879	1.1
98.01354	0.7
98.97597	3.1
100.02486	9.8
101.00885	43.9
102.00945	1.2
102.02420	0.7
103.02438	4.4
105.00304	0.6
107.00819	0.7
110.01257	1.0
110.07162	22.2
111.01984	0.8
113.00871	48.6
113.95144	1.0
114.00947	4.2
114.04028	2.0
115.00615	0.8
115.02429	4.6
117.02064	0.6
118.03515	2.9
119.01922	54.2
121.03489	0.9
124.02499	3.7
127.02386	0.8
128.02307	0.7
128.98582	0.8
131.01909	100.0
131.96155	12.7
131.97179	0.4
132.01933	8.8
132.05072	2.4
132.95845	1.3
133.01653	1.4
133.03473	11.0
137.00826	0.7
137.02953	5.8
138.09122	1.3
140.01390	0.6
142.03511	18.3
143.01826	0.9
143.53186	2.7
144.05133	0.8
145.03474	2.9
149.01221	2.2
149.02954	9.3
149.97211	7.0
150.03105	0.9
150.06027	0.6
150.96872	1.3
151.04500	2.1
152.53720	0.8
154.03549	1.2
155.01895	12.7
155.03664	1.1
156.02132	0.6
156.07716	2.3
160.04584	3.2
164.08705	0.6
173.02971	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	154.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
55.01885	0.2
55.05516	4.7
55.79675	0.2
56.05031	0.7
57.03439	0.3
57.07085	0.3
67.05510	1.3
68.05030	0.5
68.96332	1.2
69.03450	1.0
69.07069	0.4
69.50697	0.4
69.51120	1.2
70.02946	0.2
70.06587	1.3
70.94257	0.9
71.04984	0.6
71.94109	0.6
72.93793	5.4
79.05501	2.1
80.04996	0.3
80.05874	0.3
81.03423	0.4
81.06594	0.4
81.07063	7.3
81.07535	0.5
82.06593	1.4
82.07370	0.3
83.04975	0.8
83.07341	0.4
83.08633	1.4
84.04527	0.3
84.08129	0.6
85.06522	0.3
87.04447	0.2
90.94833	1.5
91.05479	0.7
93.05782	0.6
94.06548	0.4
94.07432	0.2
95.04970	1.1
95.08610	1.0
95.35754	0.2
96.04489	0.7
96.05285	0.4
96.08134	0.4
97.05291	2.8
97.06529	0.4
98.06068	2.9
98.09695	1.9
99.04466	0.5
108.04507	0.3
108.08139	3.3
108.08887	0.4
109.06534	5.6
109.10172	0.6
109.98941	0.4
110.06060	4.3
110.06800	0.5
111.04430	0.5
111.06841	4.3
111.08012	0.2
112.04809	0.3
113.05993	0.3
113.96412	3.8
116.27687	0.2
123.04458	0.2
124.07567	0.5
125.08372	1.1
126.05533	0.5
126.09165	3.5
130.96304	1.4
131.97479	1.1
136.03938	0.4
136.07585	1.0
137.05972	0.4
138.05515	0.7
139.03932	0.3
139.06297	5.4
139.07381	0.3
140.01268	0.2
148.97388	1.4
149.01793	0.3
149.97240	0.2
152.07072	0.6
154.08640	100.0
155.07045	0.6
155.08980	1.7
155.10217	0.2
155.10666	0.2
172.32237	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Matatabiether
Peak:m/z	Relative Intensity
53.03938	1.9
55.01884	4.1
55.05521	7.6
57.03424	0.8
57.07077	5.2
57.92534	0.8
59.05002	1.1
59.12704	0.7
65.03950	8.2
67.05515	5.0
68.99797	0.8
69.03442	4.5
69.07072	6.5
70.06592	1.4
70.94260	4.5
70.95856	2.3
71.04982	0.7
71.94111	6.1
71.95264	1.7
75.68302	0.7
79.05502	5.5
80.05019	0.9
81.07066	3.6
83.04980	4.1
83.08627	4.7
85.06538	2.8
88.95287	1.5
88.96902	0.8
89.95144	0.7
91.05493	5.4
93.03426	4.5
93.03904	0.7
93.06486	1.5
93.07056	22.6
95.04996	4.4
95.06102	0.7
95.08601	2.8
97.06538	52.2
105.04543	0.9
107.04959	2.2
107.08593	6.0
108.04494	1.0
108.08299	0.7
109.06507	1.2
109.10151	3.5
110.03614	1.0
111.04452	9.5
111.08091	92.1
111.96878	4.2
112.08421	1.2
112.96696	2.4
117.07052	0.7
121.06489	1.0
122.06849	5.2
125.05991	6.1
125.09644	2.2
126.05498	1.3
126.58384	0.8
129.97942	1.9
134.47008	0.6
135.04442	1.2
135.06415	0.8
135.08122	1.4
135.11737	1.5
136.03951	2.4
136.07584	2.0
153.05478	3.9
153.06662	3.5
153.09122	2.8
153.10246	3.6
153.12755	100.0
154.05019	4.7
154.08614	2.1
154.09781	3.1
154.13121	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	(1R,4R)-Dihydrocarvone
Peak:m/z	Relative Intensity
53.03941	4.5
55.01866	3.5
55.05520	18.8
56.96558	4.1
57.03416	3.7
57.07083	26.9
59.04992	5.8
65.03941	29.2
67.05518	14.7
69.03422	8.5
69.07074	19.2
70.06607	3.4
70.94264	22.5
70.95882	13.8
71.04984	3.1
71.48815	3.4
71.94109	24.6
71.95246	8.7
79.05514	24.4
80.04980	2.8
81.07059	12.7
83.04980	14.9
83.08633	6.6
85.06538	11.7
88.95293	12.6
89.95172	2.9
91.05463	10.3
93.03431	16.7
93.07053	38.2
94.07394	4.3
95.04988	14.1
95.08606	9.2
97.06530	100.0
107.04975	13.4
107.08587	21.5
108.04501	4.9
109.06538	8.1
109.10172	15.3
110.03632	5.5
111.04440	39.8
111.08088	46.9
111.96870	19.5
111.98449	3.5
112.96702	7.8
121.06509	3.8
122.06845	26.9
125.06003	20.8
125.09592	6.0
126.05510	4.1
129.97906	10.2
135.04391	5.6
135.08070	8.8
135.11700	12.1
136.07600	4.3
138.06561	3.2
149.01869	4.4
153.01924	5.0
153.04033	3.0
153.05444	14.4
153.06650	12.8
153.09087	11.9
153.10248	8.1
153.12752	54.9
154.04997	13.3
154.08624	7.6
154.09770	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	153.1275
Annotation	(1S,4R)-Iso-dihydrocarvone
Peak:m/z	Relative Intensity
54.30349	2.6
55.01877	3.8
55.05520	15.4
55.90976	2.7
57.03444	3.0
57.06832	3.4
57.07085	43.5
59.04994	6.0
65.03947	27.8
67.05508	15.5
68.99815	4.4
69.03425	8.2
69.07077	20.3
70.06578	3.9
70.94270	31.6
70.95863	11.5
71.05007	3.3
71.48701	5.9
71.94118	21.3
71.95264	6.5
79.05498	24.2
80.05029	3.5
81.03438	3.8
81.07056	11.9
83.04984	12.1
83.08613	5.4
84.08120	2.7
85.06561	15.5
88.95300	8.1
91.05470	10.6
93.03437	20.3
93.07054	29.7
95.04987	16.2
95.08628	14.7
95.71135	2.2
97.05929	5.7
97.06544	100.0
105.04461	3.1
107.04959	10.7
107.08632	20.4
108.08040	2.5
109.06502	6.4
109.10153	12.2
110.01369	3.1
110.03574	5.2
111.04456	33.2
111.08099	48.4
111.96891	15.3
112.96710	7.1
121.03011	2.7
121.82160	2.5
122.06841	19.7
124.83614	2.8
125.06036	23.3
125.06941	4.0
126.05494	3.2
129.97897	13.3
129.99405	2.9
135.04451	5.7
135.08093	5.6
135.11684	9.5
136.03947	7.0
136.07529	3.5
140.01236	4.6
149.01834	2.5
153.05478	14.1
153.06616	6.0
153.09099	14.4
153.10193	6.2
153.12772	59.8
153.13957	5.6
154.05009	14.0
154.08618	7.8
154.09792	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	153.1275
Annotation	cis-2,8-Menthadien-1-ol
Peak:m/z	Relative Intensity
51.11774	0.8
51.67222	0.8
53.03942	1.7
55.01859	1.8
55.05516	10.5
57.03450	4.0
57.07080	2.1
59.04995	1.9
65.03949	5.3
67.05511	32.2
69.03423	3.0
69.07073	50.1
70.44105	2.4
70.94260	6.5
70.95866	2.6
71.04981	2.7
71.94093	2.8
77.03971	0.9
79.05497	30.2
80.05872	0.9
81.03442	1.1
81.07062	36.4
83.05008	5.6
83.08621	6.7
85.02872	0.8
85.06537	1.7
91.05484	6.4
93.03415	5.4
93.07051	45.2
95.04961	3.2
95.08619	20.3
97.06535	22.0
105.04558	1.3
105.07025	2.0
107.04953	2.1
107.08604	49.7
108.04504	1.1
109.10168	35.1
110.03643	2.0
110.10493	1.5
111.04515	5.3
111.08097	7.6
111.11662	1.0
111.96878	3.7
112.04829	1.2
112.96706	1.2
122.06843	2.6
125.05987	3.8
126.06330	2.5
133.08789	0.8
135.05534	1.0
135.11702	100.0
136.04018	1.1
136.12019	2.3
138.00186	0.8
138.05029	1.6
138.86279	0.7
149.01817	1.3
153.05544	4.5
153.07571	4.0
153.09117	2.0
153.12756	76.7
154.05017	3.0
154.09787	1.3
154.13028	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03947	6.4
55.01859	6.1
55.05515	20.4
56.96557	2.8
57.07072	2.0
59.04996	6.0
60.29876	1.9
64.86228	2.1
65.03947	22.4
67.05508	10.5
69.03417	6.5
69.06786	2.2
69.07076	23.0
69.26407	1.9
69.79291	3.7
69.79704	7.6
70.06596	4.3
70.93893	2.4
70.94270	45.2
70.95858	13.3
71.05000	28.6
71.94113	13.7
71.95267	7.2
73.06564	18.3
74.63414	2.0
79.05070	3.6
79.05499	44.2
80.05006	3.0
81.07064	100.0
83.04988	12.9
83.08617	4.0
88.95322	12.1
88.96898	4.7
91.05502	13.8
93.03421	13.1
93.07049	44.2
95.04962	12.1
95.08604	15.7
97.02884	2.8
97.06535	18.1
98.21489	4.5
105.07031	3.9
107.04985	12.2
107.08601	44.2
109.06518	7.1
109.10173	12.6
110.03651	4.8
111.04457	28.5
111.08089	14.6
111.96880	23.8
111.98475	3.4
112.96762	4.4
117.01009	9.6
119.08591	3.1
121.06515	2.2
122.06842	9.0
125.05992	14.8
125.09618	3.3
126.01534	9.4
126.05524	3.6
129.97906	11.3
135.04404	6.0
135.07985	4.2
135.10818	3.6
135.11716	29.2
136.03983	3.7
136.07632	6.3
140.01271	27.1
146.35973	2.3
149.01799	33.4
151.52129	2.5
153.01846	20.0
153.05464	14.7
153.06601	6.2
153.09093	10.1
153.10165	4.7
153.12759	18.7
154.05011	10.4
154.08586	6.2
154.09789	4.7
158.03683	4.5
162.45451	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	151.1119
Annotation	Ipsdienone
Peak:m/z	Relative Intensity
53.03953	2.1
55.05273	1.7
55.05517	18.7
63.95955	1.4
67.05505	6.2
69.07069	2.0
70.04748	5.5
71.51857	1.4
79.05492	3.8
81.07053	11.2
83.04988	100.0
84.05280	1.4
91.05492	5.2
93.07053	3.0
95.04973	3.6
95.08605	3.2
105.07035	5.3
107.08602	2.7
109.06535	10.3
109.10166	3.1
121.06510	3.3
123.08105	2.4
123.11694	2.1
126.92768	1.3
127.78458	1.3
133.10124	2.0
151.03964	1.8
151.11201	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	151.1118
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03952	0.7
55.05511	7.7
56.56879	0.4
57.07074	0.8
57.99551	0.4
59.04995	0.8
59.17022	0.4
65.03949	1.0
67.05508	11.9
69.03424	1.4
69.07062	1.8
77.03882	0.4
79.05502	3.9
81.07063	15.9
83.04987	30.1
91.05477	4.1
93.07056	5.3
95.04971	3.9
95.08613	4.5
105.07037	6.6
107.08582	1.9
108.09441	0.4
109.06532	5.2
109.10165	7.3
121.06514	2.1
121.10181	1.4
123.08071	1.1
123.11695	1.8
131.08572	0.8
133.10120	1.8
136.08813	1.4
140.75046	0.4
151.02800	0.6
151.03964	0.7
151.11192	100.0
152.07071	0.7
152.11557	2.9
168.59222	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1119
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03936	1.0
55.01860	0.7
55.05511	7.1
59.04992	1.0
65.03935	1.2
67.05138	0.6
67.05508	11.6
68.95316	0.5
69.03446	1.4
69.07069	1.7
69.83752	3.0
78.03541	0.5
79.05495	3.7
81.03416	0.9
81.07061	17.6
83.04987	29.8
85.08217	0.5
91.05493	5.6
93.07047	7.0
94.04176	0.9
95.04568	0.5
95.04973	4.9
95.08625	5.8
98.97556	0.6
99.88948	0.5
103.05466	0.5
105.06401	0.9
105.07040	8.9
107.08606	3.2
109.06520	6.4
109.10162	6.4
118.07760	0.6
121.06494	2.2
121.10138	1.1
123.04460	1.6
123.08105	3.1
123.11726	2.1
133.06612	0.5
133.10136	2.3
136.08864	1.5
151.02829	1.3
151.03922	2.2
151.04961	1.0
151.07581	2.0
151.11192	100.0
152.07021	0.8
152.11546	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	151.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.1
55.01865	6.9
55.05266	1.5
55.05515	16.8
56.96572	1.2
57.03435	3.4
57.07065	3.9
59.05000	2.1
65.03938	7.1
67.05510	46.7
68.05045	1.0
68.99790	2.4
69.03434	7.2
69.07069	7.4
71.04990	2.5
71.08629	1.1
71.48673	1.7
77.03926	1.5
79.05499	30.2
81.03418	5.0
81.07062	100.0
83.05003	5.5
83.08623	1.8
91.05488	33.7
93.07051	30.4
94.29314	1.2
95.01340	2.7
95.04974	30.0
95.08615	46.7
97.06528	1.9
103.05518	1.2
105.03381	1.8
105.04510	1.4
105.07043	35.8
106.06573	1.8
107.04973	3.0
107.08603	25.9
108.02100	3.6
108.05736	4.0
108.08836	1.2
109.02858	3.1
109.06524	69.3
109.10164	37.4
109.66982	1.1
110.06032	4.2
110.06779	1.2
119.01831	1.3
119.04954	7.5
119.05984	1.3
120.40086	1.2
121.02860	1.3
121.03971	1.2
121.06493	8.3
121.10162	2.1
121.75578	1.1
123.04443	10.1
123.08072	23.5
123.10832	1.9
123.11716	22.7
124.07565	2.0
127.07564	7.2
131.08559	2.0
133.06523	5.9
133.07487	1.4
133.10135	20.4
134.06029	2.2
136.05179	2.4
136.08815	2.3
137.02719	1.2
141.05444	1.3
151.02832	5.6
151.03915	23.6
151.05048	7.5
151.07585	26.7
151.08609	2.5
151.11194	98.8
151.14815	2.2
152.01591	1.6
152.07076	4.2
152.11607	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0755
Annotation	Methyl phenylacetate
Peak:m/z	Relative Intensity
51.94301	0.5
53.03947	2.5
54.08847	0.5
55.01871	2.1
55.05513	12.4
56.96577	0.9
57.03431	0.9
57.07083	0.7
57.86930	0.4
59.04995	0.9
65.03942	8.1
67.05507	14.9
68.99757	0.6
69.03436	2.2
69.07068	1.4
69.92126	1.6
69.92536	1.1
77.03937	0.9
79.05499	8.1
80.05040	0.7
80.06284	1.5
81.03426	1.4
81.07063	24.7
83.04977	1.6
91.05486	100.0
92.05816	1.6
93.07051	9.9
95.01325	0.7
95.04978	15.1
95.08606	9.5
97.06545	1.5
98.97590	0.6
103.05465	1.3
105.03397	1.1
105.04514	1.4
105.07037	12.6
106.06590	0.8
107.04984	2.8
107.08590	7.2
108.02077	1.1
108.05736	3.1
109.02902	1.1
109.06527	10.8
109.10170	10.7
118.04140	0.7
119.04949	51.0
121.06520	2.3
121.10112	1.0
122.07307	0.6
123.04424	5.6
123.08082	8.5
123.11716	7.3
124.07626	1.1
133.06517	1.9
133.10146	4.0
135.04405	0.7
136.05217	7.2
136.08803	0.9
137.05974	3.7
151.02872	1.3
151.03972	11.8
151.07553	60.5
151.11192	18.5
152.01657	1.3
152.06973	2.9
152.62221	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1119
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03948	6.1
55.01865	6.9
55.05266	1.5
55.05515	16.8
56.96572	1.2
57.03435	3.4
57.07065	3.9
59.05000	2.1
65.03938	7.1
67.05510	46.7
68.05045	1.0
68.99790	2.4
69.03434	7.2
69.07069	7.4
71.04990	2.5
71.08629	1.1
71.48673	1.7
77.03926	1.5
79.05499	30.2
81.03418	5.0
81.07062	100.0
83.05003	5.5
83.08623	1.8
91.05488	33.7
93.07051	30.4
94.29314	1.2
95.01340	2.7
95.04974	30.0
95.08615	46.7
97.06528	1.9
103.05518	1.2
105.03381	1.8
105.04510	1.4
105.07043	35.8
106.06573	1.8
107.04973	3.0
107.08603	25.9
108.02100	3.6
108.05736	4.0
108.08836	1.2
109.02858	3.1
109.06524	69.3
109.10164	37.4
109.66982	1.1
110.06032	4.2
110.06779	1.2
119.01831	1.3
119.04954	7.5
119.05984	1.3
120.40086	1.2
121.02860	1.3
121.03971	1.2
121.06493	8.3
121.10162	2.1
121.75578	1.1
123.04443	10.1
123.08072	23.5
123.10832	1.9
123.11716	22.7
124.07565	2.0
127.07564	7.2
131.08559	2.0
133.06523	5.9
133.07487	1.4
133.10135	20.4
134.06029	2.2
136.05179	2.4
136.08815	2.3
137.02719	1.2
141.05444	1.3
151.02832	5.6
151.03915	23.6
151.05048	7.5
151.07585	26.7
151.08609	2.5
151.11194	98.8
151.14815	2.2
152.01591	1.6
152.07076	4.2
152.11607	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0391
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
51.02370	1.4
52.03162	0.8
53.00293	0.5
53.03949	4.7
55.01632	0.7
55.01873	7.4
55.05501	0.9
55.14878	0.5
56.96566	4.2
57.03425	1.7
57.07074	0.5
65.03939	16.1
67.05508	19.3
68.99786	1.1
69.03420	1.2
69.07058	0.6
69.64137	2.7
71.01347	1.1
71.17571	0.5
72.93793	1.0
73.02892	0.8
77.03935	2.7
79.05492	3.2
80.02631	2.2
81.03410	2.4
81.07064	4.2
84.08065	0.5
85.02917	2.2
90.94794	0.7
91.05480	6.4
93.03394	1.0
93.07033	2.3
95.01318	1.0
95.04971	11.8
95.08619	2.5
96.08144	0.6
98.01310	0.6
98.21418	0.8
98.97616	2.6
101.00820	0.9
103.05473	0.9
104.02119	0.6
105.03381	0.8
105.04498	2.1
105.07032	8.2
105.41023	0.6
106.06550	0.5
107.04958	1.3
107.08601	1.8
108.02102	22.6
108.05740	0.8
109.02920	2.4
109.06558	2.3
109.10162	1.0
110.01266	1.5
110.61876	0.4
110.97570	1.4
111.04443	2.6
112.01572	1.3
116.98653	0.9
118.32131	0.4
119.01817	4.0
119.04948	2.4
121.02892	0.5
121.03954	2.0
121.06477	1.6
123.03500	0.8
123.04420	7.4
123.08075	2.4
123.11700	0.9
124.07572	1.7
127.03923	0.6
128.02292	2.5
128.98631	1.5
132.95822	1.5
133.02855	2.3
133.06476	1.7
133.07475	0.5
133.10144	0.6
136.01549	2.1
136.05197	0.7
137.02834	1.2
140.01338	0.5
141.05472	8.3
146.99622	1.0
147.86452	0.5
150.96890	1.5
151.03896	100.0
151.05037	45.4
151.07385	4.3
151.11174	3.3
152.04286	1.8
152.07047	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Hormodirene
Peak:m/z	Relative Intensity
50.73244	1.1
53.03935	3.0
55.01863	2.8
55.05517	5.2
60.06462	1.0
65.03946	54.6
67.05510	8.0
69.07059	6.9
71.37824	2.1
79.05499	23.1
80.02621	1.3
81.07059	24.4
83.08608	1.8
91.05481	10.0
93.03425	10.5
93.07052	32.1
95.04994	1.4
95.08606	4.5
98.03669	1.5
103.05486	1.2
105.07019	3.4
107.08601	25.6
108.04476	1.6
111.04445	6.2
121.02871	54.1
121.03981	21.3
121.06541	1.0
121.10149	8.3
122.03220	1.4
149.02353	100.0
149.09566	3.1
149.13268	14.4
150.02699	1.8
150.09106	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0776
Annotation	9-Methyladenine
Peak:m/z	Relative Intensity
53.03946	0.3
55.01857	0.5
55.02997	0.3
56.05036	8.0
56.96567	2.7
57.03443	1.3
57.04544	0.4
58.99867	0.8
61.00846	0.3
61.01153	5.2
61.02917	0.6
65.03934	0.5
66.04259	0.2
67.05511	0.8
68.02649	0.2
68.98296	2.1
69.03435	1.2
70.06604	0.3
70.99866	0.3
71.04967	0.2
71.24783	0.4
73.02924	0.8
73.77277	0.1
73.77690	0.1
74.02436	0.6
74.06065	0.8
77.00895	0.2
80.05728	0.1
81.01022	0.3
81.03432	0.9
82.01442	1.5
82.04079	0.3
83.00772	0.3
83.50317	0.2
84.04507	1.1
85.01379	0.3
85.02908	1.1
86.03702	0.2
86.99331	2.3
87.01008	0.3
87.02689	1.2
88.02687	0.3
88.07644	0.3
89.00787	0.6
90.01563	0.4
91.05481	0.2
94.02639	0.2
94.04052	1.3
94.06573	1.1
95.04964	0.3
96.01530	0.3
97.00481	0.2
97.01405	2.7
97.02855	0.8
98.01344	0.3
98.97591	2.5
100.02486	2.6
101.00864	1.5
101.02560	0.2
102.02361	0.3
102.05540	1.9
103.02402	0.4
104.01280	0.4
104.05337	4.1
104.55999	0.7
105.00386	1.7
106.04044	0.3
106.06533	0.3
107.01855	0.3
108.04419	0.3
108.05613	0.5
109.01395	0.3
109.02987	0.3
109.05132	3.2
110.01332	1.0
110.97572	0.6
111.02976	0.2
113.00864	0.6
113.53222	0.2
115.02435	7.1
116.98615	0.4
118.03526	0.7
119.01864	2.7
119.03557	0.9
121.05100	0.3
122.03197	0.4
122.06032	1.1
123.06651	0.6
123.07990	0.2
123.75843	0.2
124.02465	0.3
126.98788	0.3
127.02423	3.1
127.03859	0.2
127.07048	0.4
128.02242	1.4
128.98631	0.4
129.03940	0.2
130.81870	0.2
131.01895	0.9
132.04361	0.2
133.03378	4.9
133.05083	4.3
133.06128	0.2
134.04561	0.3
135.05382	0.5
137.02840	0.6
137.04533	0.3
138.04021	0.5
139.02399	0.2
141.85907	0.2
142.03470	0.3
143.01892	0.3
144.99870	0.9
145.03470	13.7
146.03603	0.5
147.01308	0.2
150.02856	0.9
150.07751	100.0
151.03896	0.8
151.04939	0.4
151.08192	1.1
155.01868	0.3
156.05070	0.5
157.03497	0.3
161.02960	0.3
163.00914	0.2
163.04578	1.2
168.05057	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0963
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
53.03959	4.5
55.01868	4.0
55.05499	2.8
63.54683	0.7
63.82918	0.6
65.03944	37.1
65.04288	1.7
66.38326	0.8
67.05491	2.3
69.03435	32.6
69.37916	6.0
77.03934	1.8
78.04723	1.2
79.05074	0.9
79.05496	12.0
81.03436	0.9
81.07040	5.1
82.66571	0.7
83.04990	1.9
89.03928	1.0
91.05488	26.2
93.03413	10.5
93.07052	16.4
95.04963	4.1
98.03666	1.4
103.05467	3.4
105.04514	1.2
105.07032	12.3
106.07814	3.1
107.04943	2.1
107.08593	5.2
108.04531	0.8
108.05725	1.5
109.06508	2.6
111.04459	4.9
115.05413	1.7
116.06238	3.5
116.82347	0.6
119.04957	3.1
119.08602	2.2
121.02869	40.7
121.03976	15.2
121.06501	11.8
121.10150	4.7
128.06190	0.8
129.07013	0.7
131.08560	1.6
134.07288	4.5
149.02351	79.2
149.09628	100.0
150.02710	1.3
150.05476	1.1
150.09969	3.0
155.09288	0.8
156.31703	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0598
Annotation	3-Isochromanone
Peak:m/z	Relative Intensity
51.02373	1.0
52.77986	0.6
53.03949	6.9
53.39782	0.6
54.66115	0.6
55.01866	2.9
55.05497	0.9
56.96571	4.0
65.03942	41.9
66.04259	0.8
67.05502	1.4
68.11079	0.7
69.03439	0.9
69.07047	0.6
69.28712	1.4
69.29113	4.0
71.43323	0.7
77.03923	2.3
79.05495	46.7
80.02652	1.6
80.05023	1.2
80.05801	1.0
81.03424	0.9
81.98304	0.6
83.05006	0.7
84.04494	0.9
85.02894	0.9
89.03902	0.7
91.04913	1.0
91.05484	19.8
92.05798	0.8
93.03416	8.1
93.07045	32.4
94.06560	1.5
94.07370	0.7
95.04970	5.4
98.03677	1.6
100.99156	0.9
101.47198	0.6
102.03370	1.3
103.05470	100.0
104.05813	2.4
105.04520	2.4
105.05160	0.6
105.07035	2.6
106.07346	1.3
107.04958	26.9
108.05207	0.8
109.05162	1.0
111.04451	6.4
121.02875	45.4
121.03983	16.2
121.06503	32.6
122.06026	1.0
131.04955	4.7
133.05106	2.4
134.09222	3.3
149.02347	80.5
149.05972	11.4
149.09642	0.8
149.11586	4.4
150.02698	2.4
150.05609	1.2
150.07761	23.5
150.08946	0.9
169.03490	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
53.03935	5.4
55.01859	2.9
55.05503	3.8
58.43130	1.3
60.59820	1.2
65.03942	44.9
67.05521	1.7
69.03419	2.2
69.07066	4.4
69.52072	9.1
71.40266	1.3
73.12367	1.3
74.74248	1.2
77.03954	1.7
78.04733	1.3
79.05493	31.8
80.06288	1.3
81.07047	5.0
83.43851	1.5
91.05481	35.4
92.05804	1.3
93.03402	9.5
93.07050	53.2
94.07392	1.6
95.04970	5.5
98.03686	1.9
103.05465	8.2
105.04523	3.3
105.07034	34.9
106.07862	2.7
107.04950	15.1
107.08595	21.3
109.06533	2.6
111.04468	3.2
115.05469	1.9
116.06242	5.7
119.08565	6.4
121.02867	50.9
121.03980	18.5
121.06510	6.5
121.10145	32.2
121.66485	1.2
123.08054	2.1
128.95132	2.1
129.07025	1.6
131.08580	5.0
133.07590	2.7
134.03615	8.0
149.02345	89.3
149.05983	3.2
149.09625	100.0
149.13268	5.1
150.02646	2.1
150.05519	1.3
150.09995	1.9
150.23344	1.3
162.03133	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.112
Annotation	Actinidine
Peak:m/z	Relative Intensity
50.61667	0.7
56.05033	1.1
56.96545	0.9
65.03947	5.7
68.07498	0.7
70.06595	1.1
71.07385	0.7
71.27737	1.4
76.84383	0.7
77.50722	0.7
78.33892	0.6
79.05489	2.6
84.04496	5.8
91.05482	12.9
92.05820	1.7
103.05459	2.3
104.06252	3.2
105.07037	24.4
107.04935	1.0
117.07016	1.0
118.06534	3.2
120.05272	1.4
121.02866	5.6
121.04028	1.0
130.06531	0.8
132.08092	15.7
133.08879	78.0
134.09190	1.5
144.08043	1.0
146.09653	2.7
147.10460	1.6
148.07607	3.0
148.11217	100.0
149.02362	9.6
149.11539	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	148.0605
Annotation	L-Glutamate
Peak:m/z	Relative Intensity
52.78888	0.4
53.03952	0.4
55.01873	0.9
56.05037	7.6
56.96557	1.3
57.03432	3.2
58.06621	0.5
60.04532	0.4
61.02929	1.1
65.03941	1.9
67.02191	0.7
67.05541	0.4
69.03427	1.6
70.02954	1.4
70.06599	2.4
70.32475	1.3
71.07349	0.6
73.02914	1.0
74.00676	3.4
74.02467	0.5
76.02676	0.7
79.05495	0.8
81.03415	1.4
81.20009	0.4
82.02689	0.7
82.06573	0.7
84.04509	100.0
84.08137	1.4
85.01407	1.3
85.02888	3.4
85.04827	2.4
85.08476	3.7
86.02916	0.6
86.03688	1.3
87.01131	0.4
87.01884	0.8
88.02682	2.9
88.03999	0.8
88.07623	4.8
91.04974	0.5
91.05490	4.4
92.05819	1.2
93.03403	0.4
94.02682	1.8
95.03455	1.3
96.02409	0.5
97.03209	1.2
98.21452	0.4
100.02640	1.0
101.00908	1.1
101.02378	0.7
102.02367	0.7
102.05549	15.1
103.02441	1.8
103.03197	2.0
103.05480	1.4
103.53291	0.8
104.06252	0.5
105.07037	9.6
108.78421	0.4
109.02948	0.7
111.02897	0.7
111.04500	0.5
113.00842	0.8
115.02409	1.1
116.06260	0.6
118.06529	0.6
120.01152	1.3
120.04501	0.6
120.05292	1.1
121.02796	2.1
121.04056	0.6
130.05019	8.6
131.01917	1.3
131.05304	0.4
131.07336	0.5
131.09042	0.5
132.08101	4.5
133.03477	7.0
133.05243	0.4
133.08881	26.0
134.03629	1.4
143.01933	0.7
144.08118	1.0
145.03479	0.7
145.84064	0.4
148.04024	0.5
148.06079	1.2
148.07567	1.1
148.11218	35.7
149.02341	5.5
149.11568	1.0
151.04521	1.5
152.04607	0.5
152.48807	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1169
Annotation	Viridiene
Peak:m/z	Relative Intensity
53.03945	2.2
55.05511	9.1
58.50130	0.9
64.46693	1.0
65.03937	6.8
67.05490	3.4
69.07059	3.3
69.48876	2.3
69.49275	6.2
74.10742	1.1
79.05509	6.7
81.07052	1.7
84.04507	1.5
84.08136	2.0
91.05486	79.2
92.05827	1.7
93.07042	3.8
95.04961	1.6
98.20731	1.3
101.07864	1.0
103.05459	4.3
104.06271	1.2
105.07037	91.8
107.08606	3.1
108.87673	1.0
115.05482	2.1
116.06266	1.2
117.07036	8.9
119.04119	2.2
119.04951	36.5
119.08587	100.0
120.05299	1.6
120.08903	3.6
129.07013	2.0
131.08563	1.3
132.09341	3.4
145.10138	8.3
147.04411	24.2
147.05530	1.7
147.08069	3.3
147.11697	47.9
148.07559	1.7
148.12056	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0601
Annotation	Indole-3-carboxyaldehyde
Peak:m/z	Relative Intensity
54.45375	0.4
65.03922	0.5
69.03471	0.5
69.98065	1.6
72.08161	0.9
76.94345	0.5
82.06578	1.7
91.05484	27.2
96.36192	0.5
98.20794	0.7
100.07626	2.0
117.05758	5.2
118.06548	100.0
119.04971	2.8
119.06840	2.4
122.18513	0.5
128.04988	2.7
140.28795	0.5
146.06020	15.7
146.07997	0.6
147.04384	1.1
151.89001	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97076	0.8
53.03946	6.5
55.01866	3.7
57.03430	2.4
62.92997	7.5
65.03926	1.3
66.00356	0.8
67.05508	10.0
69.03430	2.1
71.05001	14.7
71.48599	1.5
79.05499	6.2
81.03430	5.8
82.06120	1.6
82.06586	20.0
84.99297	1.2
85.02908	5.8
91.05492	28.9
97.02908	1.8
99.04461	38.7
99.06371	1.0
99.52879	1.0
100.06992	1.7
100.07628	34.7
100.08286	2.0
101.02364	1.2
103.05473	4.8
104.06275	1.2
105.07040	67.9
114.12887	0.9
115.05462	18.3
116.06244	6.4
117.07026	70.0
118.06565	1.6
118.07326	1.2
121.96658	13.9
127.03930	5.7
128.06248	6.8
129.07016	11.5
130.07799	48.4
131.08116	1.4
143.08560	9.6
145.03931	1.1
145.05031	2.5
145.10132	100.0
146.08124	7.2
146.10510	2.4
155.06032	1.3
159.96457	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.2
53.54380	0.1
55.01880	0.4
56.96571	1.5
57.03442	0.4
58.99870	0.1
60.95868	0.2
60.99629	0.4
62.00426	0.2
62.94894	0.7
64.84402	0.1
67.05522	0.2
69.03439	0.4
69.07111	0.1
71.05008	0.6
71.05845	0.2
71.06166	0.2
72.99615	0.5
79.00677	0.3
81.03431	0.4
81.50966	0.3
82.01461	0.2
82.06587	0.3
82.99849	0.3
83.04949	0.1
84.01179	0.2
84.08148	0.2
84.96045	0.7
84.99598	2.7
85.00129	0.2
85.02910	0.4
88.51706	0.2
89.00912	0.3
89.50979	0.1
89.51584	0.4
90.51460	0.5
91.00642	0.3
91.05488	0.1
94.98841	0.2
97.00137	0.5
97.02924	0.3
97.49841	0.1
98.01440	0.2
98.97589	1.1
99.04441	1.3
100.01600	0.2
100.02490	1.2
100.07626	0.6
101.00884	4.4
101.02427	0.2
102.00959	1.0
102.02251	0.2
102.04668	0.3
102.89433	0.1
102.96867	0.4
103.00640	30.5
103.01250	1.5
103.89323	0.1
103.97357	0.2
103.98396	0.1
103.99307	0.2
104.00956	0.3
104.89075	0.1
105.03403	0.2
106.00352	0.1
106.99421	0.1
109.02133	5.3
109.97830	0.1
110.02145	0.1
115.01198	3.1
115.02423	0.2
115.53754	0.2
116.98631	0.6
117.02200	0.2
117.04033	0.2
118.02663	6.2
118.03441	0.3
119.01929	13.1
120.02007	3.1
120.03244	0.3
120.52165	0.2
120.52921	2.4
121.01670	100.0
121.02301	4.4
121.48721	0.4
121.98546	0.6
121.99302	0.2
122.01994	1.2
122.52164	0.2
123.01927	1.0
124.02449	0.2
125.52136	0.2
126.02209	0.3
127.03159	0.2
127.98901	0.2
128.97862	0.3
129.53456	1.2
130.04193	0.3
130.49216	1.4
130.52704	0.2
130.99251	0.2
131.01906	0.3
131.02745	0.1
131.49109	0.1
132.02368	0.6
132.03654	0.1
133.02274	0.8
133.03069	0.1
134.52618	0.3
135.03209	0.3
137.02956	3.3
138.03088	0.7
138.03990	0.2
139.02698	27.5
139.49741	2.0
139.99599	0.5
140.03152	0.3
140.51285	0.1
141.03114	0.2
141.99950	0.7
142.03485	2.3
143.03600	0.2
143.53175	9.4
144.03235	1.8
145.01656	0.3
145.03491	1.7
145.05074	0.3
145.06358	0.1
146.03438	0.2
146.08128	0.1
147.03209	0.2
151.00592	0.3
152.53696	1.5
153.31963	0.1
155.03963	0.2
158.03638	7.8
160.04594	0.7
162.03052	0.2
162.04323	0.3
163.02679	0.3
163.04491	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03943	1.3
69.03435	0.6
70.68619	1.2
86.16264	0.4
89.03921	4.9
93.73580	0.4
97.02908	0.7
115.05463	100.0
116.05801	2.2
124.35882	0.5
124.37561	0.4
125.02364	1.0
128.06259	1.0
141.65611	0.4
143.03455	3.2
143.04932	25.1
143.64949	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0809
Annotation	3-METHYLQUINOLINE
Peak:m/z	Relative Intensity
53.03938	0.8
55.01869	0.4
55.05490	0.5
56.05037	0.4
57.03420	0.9
60.04518	0.8
60.98707	0.4
61.74185	0.3
64.34676	0.3
69.03421	0.8
70.03789	0.3
70.06593	1.9
71.05003	1.6
72.08158	0.3
78.99779	0.4
81.03415	0.8
81.07047	0.5
84.04499	0.8
84.08134	1.0
85.02911	6.5
89.03918	2.1
91.05485	3.4
95.04967	0.6
97.02899	0.4
98.05427	0.6
98.06055	8.5
98.09692	2.1
99.04454	3.2
100.69286	0.3
102.96857	0.3
103.05466	3.4
113.03002	0.4
115.05454	8.3
116.04974	0.7
116.05738	0.7
117.03419	0.6
117.05798	2.6
117.07019	21.4
118.06530	0.8
118.07343	0.7
121.00813	0.9
126.02722	0.5
126.05516	0.8
127.03914	0.3
127.05476	1.2
128.04990	2.4
128.06245	0.8
129.05753	0.5
139.01826	0.9
139.23952	0.3
142.06549	0.6
143.07310	16.7
144.03769	2.6
144.08084	100.0
145.05325	0.4
145.06508	3.0
145.08432	2.3
145.10188	0.3
146.05995	1.1
155.06042	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	143.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99856	3.0
63.95632	0.8
69.03423	0.8
69.98624	1.2
69.99011	1.6
70.99862	10.9
73.02930	0.7
77.00894	1.8
80.31061	0.6
81.04545	16.5
82.99847	5.8
86.64246	0.7
89.00911	4.0
94.06563	0.8
95.06100	8.0
98.21423	0.7
100.02517	0.8
101.00887	67.0
102.00966	2.4
103.02422	0.9
106.14268	0.7
108.98637	0.6
110.51459	0.8
113.00861	0.8
119.01926	100.0
120.01993	3.6
125.07114	4.8
131.01947	1.3
132.02016	0.6
137.02963	7.6
142.03487	1.1
143.01904	6.0
143.08182	3.4
161.02968	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	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71331	1.3
56.96552	5.6
57.03420	3.3
69.84293	5.1
70.57465	1.5
70.99854	7.0
73.02938	1.6
77.34987	1.6
81.04546	2.8
82.99857	8.1
83.00775	1.5
85.02163	1.6
87.04683	1.3
89.00889	2.8
97.51679	1.3
98.97570	4.3
100.02485	2.5
101.00886	79.2
103.02414	1.8
107.19320	1.4
117.04307	1.3
118.03519	3.0
119.01924	100.0
119.49266	1.5
124.02453	1.9
128.02342	1.6
137.02994	9.3
142.03499	12.4
143.01872	4.9
143.03458	2.3
146.99692	1.6
160.04576	2.5
161.02943	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	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96589	3.8
57.97134	3.2
70.04691	15.9
78.69379	3.1
82.99851	9.8
100.02467	4.1
100.97178	5.9
101.00893	57.3
102.00980	4.1
118.98055	3.1
119.01935	100.0
136.09296	3.6
137.02957	12.4
142.03519	15.4
143.03470	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	142.0864
Annotation	(+)-ethosuximide
Peak:m/z	Relative Intensity
53.00274	2.0
55.01870	4.7
55.05508	8.4
56.92881	2.0
56.96568	2.2
57.03433	3.2
57.07065	3.1
58.06606	11.3
59.93104	4.1
68.05026	3.4
69.03429	15.7
69.07071	24.8
69.42783	10.9
70.06593	5.9
70.26241	1.7
70.33799	1.5
71.04983	4.6
71.08639	100.0
72.08154	4.3
72.08942	2.0
78.15988	1.6
79.05492	9.2
80.04987	2.0
81.05780	2.4
81.07043	6.1
82.06528	1.8
83.01364	2.5
84.08160	2.4
85.19498	1.5
93.83162	1.8
96.04494	4.8
96.08134	28.2
97.02890	19.0
97.06548	19.7
100.07548	1.7
101.94988	2.0
112.28091	1.6
114.09174	49.2
115.05461	22.1
115.57867	1.8
118.96768	7.8
123.94402	1.7
124.03915	2.3
124.07597	3.2
124.08465	2.0
125.02362	22.9
125.06025	9.0
128.06270	2.9
142.02162	2.3
142.04997	6.6
142.07591	2.8
142.08649	32.4
142.12280	2.4
143.03406	99.2
143.04843	5.4
143.07288	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	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53991	4.9
69.89450	31.4
71.71280	5.2
74.77256	5.7
79.29855	6.0
82.99834	7.7
86.92838	5.3
98.21445	7.4
101.00888	72.7
119.01926	100.0
137.02940	13.9
142.03522	27.0
147.42453	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	140.0021
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98636	0.6
56.96570	19.1
60.98398	0.4
61.80473	0.5
71.95266	6.8
72.56546	0.5
94.06540	0.8
98.20786	0.9
98.97592	100.0
116.98628	35.8
125.02374	0.7
134.99666	8.4
140.00218	0.5
143.06032	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0707
Annotation	1,2,3,6-tetradehydro-propylproline
Peak:m/z	Relative Intensity
51.02373	2.1
53.03714	1.6
53.03949	26.2
54.84008	1.3
55.01864	3.2
56.96569	13.1
57.03427	1.6
57.07072	1.7
57.93557	6.1
65.03925	5.0
65.69259	1.2
67.05505	42.0
69.03426	2.9
69.07068	7.4
69.48720	7.7
70.06582	3.7
71.95275	2.3
75.80809	1.3
77.03947	6.8
81.03400	3.3
84.08145	8.0
91.11888	1.3
93.05794	13.0
94.06571	61.5
95.04971	36.0
95.08625	3.0
96.04514	3.3
96.05297	1.6
97.70235	1.4
98.97586	56.5
105.04507	12.7
107.93149	1.8
112.04015	3.3
112.04729	1.6
112.07613	18.1
113.02320	2.4
113.05977	1.8
116.97265	8.9
116.98618	22.4
122.06029	100.0
125.02336	2.3
134.99654	8.5
138.05498	5.3
140.03416	4.0
140.04384	2.4
140.07063	45.0
141.01839	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60710	0.9
53.03941	2.6
55.01876	1.9
55.05527	1.4
56.05833	1.6
56.96304	1.2
56.96570	20.4
57.07071	1.0
57.93568	7.8
62.71198	1.0
65.03932	3.8
66.04279	3.0
67.05510	27.9
67.93559	0.9
68.05026	1.2
69.03088	1.5
69.03433	23.6
69.07070	15.9
70.06579	3.4
70.38673	2.1
70.39034	1.7
71.04986	1.7
71.95264	7.7
79.05485	1.4
80.05029	1.7
81.03399	2.1
81.04552	1.2
81.07054	1.2
83.04967	1.8
84.04492	1.5
84.05328	2.8
84.08160	6.7
94.04103	1.7
94.06565	14.0
94.07400	2.0
95.01314	1.2
95.04976	20.7
95.08626	3.1
96.08946	2.0
97.02908	2.0
98.06046	1.9
98.97589	100.0
101.19059	0.9
110.06069	1.1
111.04443	1.3
112.03979	6.1
112.04786	7.1
112.07614	39.5
113.02392	4.5
113.06026	7.3
116.97291	15.5
116.98619	52.3
122.03201	2.5
122.06031	12.9
123.04439	2.5
123.08041	1.1
125.02351	2.3
134.99661	18.8
138.05515	7.3
140.00224	2.3
140.03413	6.2
140.04320	3.0
140.07062	12.1
140.10666	2.2
141.01854	5.2
141.05475	1.3
153.00761	1.2
156.02867	1.1
159.05083	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.1119
Annotation	Nona-2,6-dienal
Peak:m/z	Relative Intensity
53.03949	10.3
55.01878	12.2
55.05513	41.9
56.96571	10.9
57.03425	3.9
57.07055	3.0
57.93567	5.8
59.05011	2.0
64.57683	1.5
65.03942	42.0
67.05506	35.7
67.08307	1.5
68.99796	7.1
69.03429	11.9
69.07077	25.5
69.14533	18.8
70.06605	2.6
71.05002	5.4
71.95270	3.5
77.03915	2.0
79.05496	42.0
80.06272	1.8
81.03425	2.1
81.04539	4.1
81.07060	12.1
83.04986	100.0
85.06564	2.0
86.59048	1.6
89.71581	1.6
91.05489	18.9
93.03410	28.0
93.04544	6.7
93.07047	82.1
94.06587	4.1
94.07393	1.6
95.04972	17.6
95.08609	57.3
96.04530	1.9
96.08991	1.9
97.02910	6.6
97.06531	19.5
97.10210	2.0
98.97597	33.3
98.98477	25.7
105.04479	3.3
105.07062	6.0
111.04446	64.0
111.08104	3.4
112.03970	4.0
112.04691	1.7
112.07591	1.7
116.97258	7.5
116.98636	16.7
121.02894	12.2
121.03975	11.8
121.04781	2.3
121.06512	4.5
121.10160	14.1
122.06056	3.4
134.99655	5.0
139.02846	3.5
139.03932	55.4
139.04990	5.4
139.05849	8.7
139.07565	8.4
139.08592	3.0
139.11206	16.7
139.12248	4.0
140.03436	2.9
140.07141	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	140.0021
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	17.6
64.76951	0.6
69.34513	0.5
70.67842	1.5
71.95271	6.4
75.15069	0.5
78.30165	0.5
88.10209	0.5
98.97589	100.0
113.00934	0.5
116.98625	32.7
134.99655	6.1
140.07062	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0391
Annotation	Sesamol
Peak:m/z	Relative Intensity
53.03942	3.1
55.01873	8.0
55.05319	0.5
55.05517	4.5
64.33020	0.5
65.03945	27.1
67.01868	4.8
67.05503	7.7
68.99446	0.9
68.99797	13.3
69.03448	3.6
70.99548	1.2
70.99906	0.8
71.01348	2.4
81.03419	0.7
83.04983	8.7
86.54375	0.5
93.03413	14.4
93.07054	0.8
95.01355	0.6
95.04973	2.4
95.08603	0.9
97.02907	3.5
97.06519	0.7
98.97597	2.3
98.98476	1.3
111.04451	44.6
116.98634	0.8
121.02884	2.2
121.03982	3.5
137.02367	0.7
139.03912	100.0
140.04262	2.2
146.16898	0.6
149.05484	0.6
149.67775	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.039
Annotation	Sesamol
Peak:m/z	Relative Intensity
53.03946	3.1
55.01881	7.1
55.05515	5.8
56.96563	2.5
59.04980	0.8
59.59248	0.8
62.26178	0.6
65.03619	1.3
65.03946	21.1
67.01865	5.0
67.05504	9.5
68.99794	15.2
69.03433	6.9
69.07070	4.0
69.53506	4.3
69.86674	0.6
71.01349	2.5
71.04976	2.6
74.47681	0.7
79.03797	1.0
79.05495	1.6
80.34686	0.6
81.04543	0.8
81.07054	1.2
83.04982	7.3
91.05457	1.0
91.39014	0.7
92.68198	0.6
93.03407	15.3
93.04535	0.9
93.07030	2.7
94.06588	0.8
95.04970	2.8
95.08603	2.4
97.02901	4.9
97.04842	1.1
97.06514	3.1
98.97598	5.4
98.98476	4.8
99.00841	1.1
105.07059	0.8
111.04449	30.8
111.08125	1.0
112.03960	0.8
116.97227	1.6
116.98614	3.0
121.02927	3.6
121.03973	3.1
121.06522	0.7
121.10215	1.4
134.99651	0.8
139.03914	100.0
139.05692	10.4
139.07524	1.6
139.09593	0.7
139.11241	3.9
140.04298	1.8
155.44035	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0551
Annotation	Trigonelline
Peak:m/z	Relative Intensity
53.03938	0.9
65.03946	1.4
67.05511	1.0
69.31113	0.2
69.78599	1.2
78.03453	1.2
79.04244	0.4
91.67805	0.2
92.05013	8.7
93.05802	0.9
94.06576	20.6
96.04499	2.6
98.21442	0.2
110.06049	10.2
120.04523	0.4
126.70837	0.2
136.03975	0.5
138.05510	100.0
139.05859	1.8
154.05035	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0915
Annotation	N,N-Dimethylaniline N-oxide
Peak:m/z	Relative Intensity
53.03951	3.3
54.41782	0.3
55.01864	0.9
55.05506	0.8
56.96563	0.6
62.52066	0.3
65.03947	1.8
67.04259	0.5
67.05502	3.7
68.05038	0.9
68.05839	1.4
69.03419	1.1
69.07063	0.8
70.02952	0.6
70.06606	0.4
71.48001	0.5
72.41882	0.3
75.69811	0.3
77.03941	0.7
79.05501	4.4
80.05022	2.4
80.05830	0.4
81.03421	0.5
81.05798	0.7
81.07069	0.8
82.06616	2.1
82.07388	1.4
83.04984	0.5
91.05489	5.2
92.04993	1.5
92.05811	1.0
93.03403	0.8
93.07047	9.3
94.04186	0.7
94.06568	14.4
95.04472	2.3
95.05072	1.8
95.07353	12.6
95.08607	0.9
96.04495	1.2
96.08125	1.1
96.08925	0.9
96.43117	0.4
97.06530	0.6
98.98470	1.3
105.04498	1.1
108.08110	1.0
109.05272	1.6
110.06057	4.0
110.09676	5.4
110.10504	1.2
111.04453	1.3
120.04463	1.0
120.08121	0.9
121.02899	0.9
121.03980	0.6
121.06508	1.3
122.03625	0.4
122.06032	4.9
123.03989	3.4
123.06818	41.4
124.07145	0.8
134.50540	0.4
136.07588	2.8
138.01781	1.5
138.05498	14.9
138.06371	4.0
138.09142	100.0
139.03922	0.6
139.05881	0.3
139.07564	0.6
139.09473	1.7
139.11176	0.4
140.07060	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	138.055
Annotation	Trigonelline
Peak:m/z	Relative Intensity
51.62857	0.2
53.03949	0.3
55.01867	0.3
56.47973	0.2
57.01620	0.2
63.36444	0.2
65.03941	1.0
67.05502	1.1
68.05007	0.7
68.99790	0.3
69.03428	0.2
69.07054	0.2
69.59527	0.8
69.59932	0.5
78.03459	9.0
79.04227	1.8
80.05017	0.9
82.02969	0.2
82.06589	0.4
83.04967	0.3
91.05521	0.3
92.05015	0.8
92.05821	0.4
93.03377	0.5
93.05769	0.3
93.07031	0.4
94.06579	1.5
95.08582	0.2
96.04498	15.8
97.04825	0.3
97.06503	0.3
98.08633	0.2
98.98502	0.3
103.94445	0.2
106.02920	1.0
106.74969	0.2
108.03744	0.3
108.04487	5.1
109.05276	0.7
110.06074	1.8
111.03222	0.5
111.04457	0.9
113.09211	0.2
120.04467	0.3
121.04057	0.3
123.04008	0.4
124.03960	3.7
136.03955	0.3
138.05507	100.0
139.03918	2.4
139.05844	1.7
144.95457	0.2
154.04991	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0551
Annotation	Trigonelline
Peak:m/z	Relative Intensity
53.03939	0.7
65.03938	1.1
65.53133	0.2
67.05495	1.2
69.57379	1.6
77.15826	0.3
78.03449	1.1
79.04214	0.3
92.05012	10.6
93.05784	1.1
94.06574	21.4
95.06929	0.3
96.04493	3.0
98.21499	0.4
101.98917	0.3
110.06052	10.3
115.02494	0.4
133.01653	0.5
133.03445	0.5
136.03979	0.6
138.05511	100.0
139.05865	1.8
154.05022	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.7
53.03936	2.7
55.01856	1.4
55.05516	6.2
57.03424	0.9
57.07070	1.2
57.90760	0.6
65.03939	4.1
66.04720	6.8
67.05508	41.2
69.03426	2.2
69.07068	3.4
70.43574	1.3
70.43935	1.3
77.03928	1.1
78.04664	0.6
79.05492	9.4
81.03402	1.5
81.06593	1.2
81.07058	22.0
91.05485	22.2
93.07056	5.2
94.04191	50.5
94.06543	1.2
95.04453	0.9
95.04977	6.6
95.08614	15.9
98.95068	0.6
105.04527	0.7
107.04952	7.5
107.08590	2.7
109.06535	4.0
109.10165	22.7
110.10495	0.8
119.04955	3.5
119.08578	4.6
121.06508	2.0
122.03656	65.8
122.07300	18.0
123.03980	1.0
135.04457	0.8
135.08034	1.1
137.02443	1.8
137.05978	100.0
137.09615	28.3
137.13263	0.8
138.05482	2.1
138.06372	1.3
138.10013	0.8
138.62428	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
50.04769	0.7
51.02370	1.0
52.36665	0.6
53.03947	4.1
55.01857	2.2
55.05518	8.4
55.47738	0.7
57.03441	1.3
57.07065	1.0
63.22340	0.8
65.03947	5.2
66.04725	6.4
66.92567	0.8
67.05510	56.6
68.05826	1.1
68.99781	0.7
69.03416	2.0
69.07072	6.5
71.04968	0.7
71.49023	0.7
77.03938	0.7
78.09609	0.7
79.05498	12.0
80.05808	0.7
81.03434	1.7
81.06597	1.5
81.07064	30.6
81.43605	0.6
81.88737	0.6
91.04913	1.0
91.05485	21.0
92.05762	1.0
93.07045	7.3
94.04192	46.2
94.07822	0.7
95.04462	1.2
95.04981	9.0
95.08617	20.3
105.03421	1.1
105.04517	0.9
105.99707	0.7
107.04962	5.2
107.08591	4.2
109.06519	11.3
109.10162	28.0
116.04916	0.7
117.07021	1.4
119.04939	3.1
119.08598	5.1
121.06532	1.1
122.03653	65.8
122.07290	11.3
123.03923	1.0
135.04462	1.1
137.02411	2.1
137.05981	100.0
137.09621	27.7
137.13216	1.3
138.01735	0.9
138.05472	2.1
138.06358	2.3
138.09091	1.4
139.03827	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.02265	1.3
53.03954	6.1
54.49035	1.2
55.01876	6.7
55.05510	10.4
55.82918	1.1
57.03435	2.6
65.03944	7.9
66.04712	4.3
67.05508	77.2
68.99795	1.4
69.03423	5.7
69.07056	4.1
79.05495	17.5
81.03426	7.6
81.07060	35.9
83.04995	2.2
91.05481	51.2
92.05041	1.3
93.07043	10.4
94.04192	28.9
94.06611	1.2
94.07810	1.7
95.04977	20.6
95.08606	20.4
99.76748	1.3
103.05455	3.0
104.06232	1.3
105.03439	1.3
105.04517	2.2
107.04958	26.0
107.08578	7.1
108.05766	2.8
109.06522	48.1
109.10158	55.6
109.17919	1.2
110.06023	2.1
110.06837	1.4
110.10505	1.4
117.07024	3.8
119.04951	4.9
119.06061	4.2
119.08588	20.1
121.06528	8.3
122.03658	30.7
122.07291	92.1
123.75690	1.2
135.08049	4.4
137.02454	2.8
137.03490	1.9
137.05971	60.1
137.09619	100.0
138.01845	1.8
138.05489	6.0
138.06407	2.0
138.09056	1.8
138.10007	2.1
146.04109	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.8
55.01883	6.0
55.05515	8.1
57.03428	1.8
57.07058	1.2
61.79039	1.0
63.24815	1.1
65.03939	8.6
66.04726	6.3
67.05508	77.6
68.99773	3.3
69.03424	5.2
69.07064	4.5
70.19545	0.9
71.46928	0.9
71.47367	1.3
77.03890	1.4
78.04700	1.2
79.05497	25.6
81.03410	5.6
81.07060	56.1
83.04966	3.2
91.05486	66.9
92.04997	1.4
92.05794	1.6
93.07047	14.2
94.04191	39.7
94.06571	2.3
94.07812	2.3
95.04398	1.3
95.04976	21.5
95.08607	30.7
96.05733	1.2
103.05492	1.8
104.06188	1.6
105.04504	2.0
107.04964	24.8
107.08619	5.2
108.05741	3.7
109.06522	49.1
109.10159	48.6
110.06116	1.8
110.64112	0.9
116.04984	1.5
117.07033	4.5
119.04958	11.0
119.06038	3.8
119.08582	17.1
120.04462	2.3
121.06508	8.6
122.03656	52.9
122.07290	79.7
123.03983	1.1
123.06786	1.3
123.07600	1.2
129.34328	1.1
135.08052	3.3
137.02544	6.4
137.03400	1.2
137.05969	88.7
137.09621	100.0
137.13197	1.9
138.05490	12.9
138.06407	1.5
138.09108	2.2
138.10056	1.4
155.10513	1.0
155.11809	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0963
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03945	4.0
55.01887	1.9
55.05510	3.5
57.03462	0.7
57.07100	0.9
65.03948	3.8
66.04722	6.8
67.05509	39.0
67.47657	0.8
69.03440	1.8
69.07077	1.8
69.50242	4.0
79.05503	9.9
81.03437	1.8
81.07067	19.3
87.33039	0.8
91.05489	30.6
92.05815	1.0
93.07037	5.9
94.04192	44.0
94.06607	0.8
94.07835	1.8
95.04461	1.0
95.04987	5.8
95.06060	0.8
95.08608	14.2
95.09179	1.1
98.20780	1.6
103.05466	2.0
104.06287	1.2
105.04539	1.8
107.04963	24.0
107.08606	2.1
109.06526	4.5
109.10166	36.5
110.06022	0.8
117.07024	2.5
119.04935	3.7
119.08589	17.5
121.06503	8.8
122.03661	59.2
122.07294	100.0
123.03901	1.1
123.07623	1.6
135.04492	0.8
135.08069	4.2
137.02429	2.4
137.05980	92.0
137.09624	91.7
137.10458	1.5
137.10722	2.0
137.13162	0.9
138.05482	4.5
138.06372	1.7
138.09947	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03946	4.4
55.01878	2.6
55.05514	14.2
57.03441	1.3
65.03947	5.6
66.04716	2.4
67.05508	100.0
69.03413	3.1
69.07070	7.2
69.85564	4.4
79.05495	14.9
81.03405	2.0
81.07060	47.8
82.06578	1.5
83.04972	2.1
91.05483	24.7
93.07053	8.7
94.04191	14.8
94.06565	2.1
94.07851	1.2
95.04974	14.8
95.08611	28.8
98.21429	1.4
98.74826	1.0
103.05510	1.4
105.04555	1.0
107.04952	3.7
107.08608	4.6
109.06525	11.4
109.10162	34.1
110.06022	2.6
117.07010	2.3
119.04929	4.5
119.06063	1.6
119.08582	7.0
122.03658	16.0
122.07293	5.8
137.02513	5.1
137.03452	1.2
137.05894	28.8
137.09633	29.7
137.10645	1.4
137.13266	1.9
138.01804	1.3
138.05521	7.1
138.09120	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0599
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02379	1.0
53.03941	1.7
53.34922	0.8
55.01876	1.0
55.29741	0.6
60.13660	0.7
61.93526	0.6
65.03930	1.2
66.04722	7.7
70.87934	1.4
77.03934	1.3
79.05503	4.8
81.07043	2.2
91.05481	4.8
94.04194	52.1
95.04958	1.0
96.21255	0.7
107.04955	1.5
122.03657	69.9
123.03979	0.9
137.05988	100.0
138.06386	2.1
151.82947	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0599
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.01607	0.5
51.02404	0.6
53.03962	2.3
53.26788	0.5
55.01883	1.3
65.03944	2.7
66.04725	7.2
67.05513	1.7
70.42948	1.6
77.03943	1.3
79.05494	5.5
80.53130	0.5
81.03416	0.8
81.07069	3.4
84.14935	0.4
91.05488	6.7
93.07069	0.8
94.04190	51.9
95.04983	1.5
105.03407	0.6
105.04532	0.7
107.04964	2.9
109.06530	1.6
109.10152	0.6
110.06015	0.6
122.03654	70.5
123.04011	0.8
130.16251	0.5
137.02446	1.8
137.05975	100.0
138.05481	1.5
138.06337	1.5
149.61369	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0599
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02373	0.8
53.03952	2.0
55.01874	0.9
55.05518	2.7
57.02222	0.3
59.46021	0.3
60.72460	0.3
65.03943	2.3
66.04727	6.7
66.05074	0.4
67.05508	15.6
69.03445	0.5
69.07080	1.4
77.03938	0.9
79.05495	6.7
81.03418	0.5
81.07060	10.4
91.05486	11.0
93.07053	2.0
93.07561	0.3
94.04192	47.1
95.04479	0.4
95.05002	3.0
95.08614	5.3
97.01468	0.3
98.20726	0.8
105.03394	0.9
105.04527	0.8
107.04970	4.0
107.08585	0.9
109.06533	2.8
109.10164	8.2
117.07047	0.5
119.04951	1.2
119.08586	1.5
121.06440	0.7
122.03654	64.6
122.07297	8.3
123.03978	1.1
133.15492	0.3
135.04419	0.8
135.08136	0.4
137.02441	1.2
137.05983	100.0
137.09605	10.0
138.05460	1.4
138.06361	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
55.01861	0.7
55.05506	0.4
56.96557	1.0
58.99869	2.8
60.49041	0.3
65.03944	0.4
69.03430	0.9
71.46857	0.6
77.00915	0.6
79.05508	0.6
80.05015	0.6
80.51051	0.8
81.03448	0.4
81.50929	0.8
82.01451	0.6
85.01408	1.4
89.51568	1.4
90.01628	0.7
90.51425	1.5
91.05466	0.7
92.02628	1.4
93.03414	0.7
94.04104	0.4
94.99844	1.6
100.02484	3.2
101.00879	1.0
101.02480	0.5
102.02221	1.0
103.02461	1.9
104.52685	0.4
107.05042	0.3
109.01035	0.3
109.97944	0.6
110.52689	5.7
111.02747	0.7
113.00880	27.1
113.01613	2.8
113.05290	0.4
114.00984	0.7
115.01204	0.7
118.03516	0.9
118.98441	1.0
119.01917	1.2
119.03515	0.6
120.02119	0.6
121.48709	0.9
122.02167	1.8
124.52411	4.7
125.02491	0.9
127.98973	1.8
129.99380	0.3
130.49242	4.3
131.01913	100.0
132.01985	2.7
132.05042	0.4
133.02286	0.6
133.03329	0.3
133.52937	2.3
133.64891	0.3
134.02971	0.5
136.02180	4.9
136.03922	0.8
136.06197	7.4
136.07564	1.3
137.04604	0.5
137.05968	0.4
138.99910	0.6
139.49748	6.0
139.99725	0.4
142.00095	0.7
147.01425	0.5
149.02983	14.8
151.00627	0.6
154.03502	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	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.21279	0.7
50.75167	0.7
51.02381	1.3
52.47109	0.8
53.03948	11.0
54.73703	1.0
55.01874	4.6
55.05513	10.5
57.07076	1.4
65.03937	6.0
67.05513	6.7
69.07063	3.6
69.55254	4.8
77.03923	2.2
79.05499	45.0
80.05836	0.9
81.03440	1.0
81.07059	3.5
88.44553	0.8
89.03924	3.6
91.05486	83.2
92.05746	0.8
92.06301	1.8
93.07047	54.2
95.04978	10.4
95.08606	1.4
98.20782	1.5
99.40866	0.8
103.05468	2.4
104.06268	1.5
105.04533	7.2
105.07035	34.4
106.07841	1.7
107.04226	1.4
107.04957	32.8
107.08597	100.0
108.04488	0.9
108.08917	1.5
109.06525	7.3
115.05470	12.8
116.06280	0.8
117.03411	1.2
117.07021	12.8
119.03559	1.8
119.06071	6.6
119.08586	21.8
120.09407	7.1
133.10164	1.4
135.04433	13.0
135.05489	1.6
135.08061	30.6
135.10709	1.7
135.11694	27.7
136.02144	8.1
136.05183	1.2
136.06192	15.4
136.07530	2.8
137.09683	1.2
147.09183	1.2
148.12358	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02350	1.3
53.03949	9.0
55.01868	1.6
55.05513	12.0
65.03930	1.8
67.05508	30.3
69.07063	8.7
77.03921	3.5
79.05497	76.7
80.05836	1.6
81.03401	1.1
81.07058	28.5
91.05485	31.9
93.07048	100.0
94.04043	2.2
95.04974	6.1
100.38749	1.1
101.99330	1.1
105.04525	3.2
105.07046	6.8
107.04968	10.8
107.08597	60.3
109.06532	2.1
114.75318	1.3
115.05447	1.5
119.03540	4.4
119.08632	1.5
119.29503	1.1
128.59717	1.4
135.04413	4.5
135.05450	1.8
135.08072	8.3
135.11694	53.6
136.02174	14.1
136.06192	38.8
137.04564	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
52.02295	1.0
53.03947	10.7
55.01857	3.1
55.05512	14.0
65.03938	2.8
67.05505	33.3
69.07074	7.8
70.99788	2.1
71.96359	1.2
77.03914	2.0
79.05495	73.2
81.03392	1.8
81.07058	28.2
91.05486	31.4
92.02496	1.4
93.07045	100.0
94.04028	2.2
94.07315	1.7
94.07858	1.7
95.04963	6.5
105.04516	4.1
105.07023	8.6
107.04964	16.3
107.06091	1.1
107.08598	60.6
107.44640	1.0
108.04515	1.4
109.01109	1.2
109.06543	2.7
115.05421	2.2
117.06976	1.6
118.06515	1.3
119.03561	6.2
119.08569	3.1
133.10156	1.3
135.04417	5.8
135.05354	1.3
135.08078	11.0
135.11693	53.4
136.02170	21.0
136.03911	1.9
136.06186	52.1
136.07564	3.0
137.04581	3.5
140.22350	1.3
154.57407	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02377	2.0
53.03951	18.0
55.01867	4.6
55.05315	1.3
55.05518	12.9
63.44151	1.4
65.03925	2.4
65.51259	1.3
67.05509	21.7
68.05949	1.2
69.07079	6.8
71.48349	1.4
77.03920	1.7
79.05499	84.4
80.04991	1.8
81.03411	1.8
81.07060	24.3
91.05490	44.9
92.05801	1.8
93.07048	100.0
94.04037	3.6
95.04980	11.3
105.04517	7.2
105.07030	7.4
107.04971	27.8
107.08601	54.5
108.04440	1.6
109.01115	3.4
109.06463	3.0
115.05491	1.6
117.07052	3.5
119.03559	12.9
119.06062	1.7
119.08582	1.8
120.09347	2.1
135.04420	12.0
135.05536	4.3
135.06485	1.9
135.08064	11.6
135.09068	2.2
135.11696	37.2
136.01118	2.1
136.02177	39.4
136.05249	3.7
136.06187	88.5
137.04626	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	135.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.5
53.03949	13.4
54.26895	1.4
55.01866	4.8
55.05518	12.8
65.03934	5.3
67.05507	33.6
69.03419	2.0
69.07069	10.2
69.87094	5.9
77.03925	3.6
79.05496	83.7
81.03413	2.8
81.07059	27.9
91.05485	46.7
92.00789	1.6
92.05808	2.4
93.07048	100.0
94.04044	4.4
94.07855	2.2
95.04980	10.4
102.42280	1.4
105.04498	6.1
105.07031	11.5
107.04962	25.7
107.08593	65.6
109.01078	2.6
109.06522	2.9
115.05454	3.1
119.03576	8.8
119.06056	2.8
119.08599	3.8
120.09400	2.2
127.70248	1.6
133.10126	1.7
135.04417	10.3
135.05528	4.9
135.08066	17.4
135.10095	2.2
135.11691	51.3
136.02173	34.9
136.03920	3.0
136.06184	86.9
136.07530	4.6
137.04579	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	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03948	13.1
55.01872	2.6
55.05516	12.2
62.00121	1.3
65.03927	4.5
67.05491	5.0
69.07059	4.7
70.99792	2.5
77.03908	2.4
79.05492	37.6
80.58022	1.6
81.07060	6.5
83.86747	1.2
89.03926	1.5
91.05484	62.7
92.06270	1.6
93.07047	69.9
94.04058	1.9
94.07809	1.5
95.04975	12.2
95.08591	1.6
96.23037	1.1
98.05480	1.2
103.05496	1.3
105.04533	6.9
105.06322	1.8
105.07027	29.6
107.04970	21.4
107.08598	100.0
108.08942	1.5
109.01089	4.4
109.06514	6.8
115.05433	2.1
117.07002	3.2
119.03569	6.1
119.06053	7.7
119.08598	14.9
120.09384	6.5
131.03482	1.3
133.10143	1.5
135.04398	6.5
135.05397	1.9
135.08057	6.2
135.11700	21.1
136.02168	28.3
136.03891	1.9
136.06186	66.5
137.04591	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	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03757	1.0
53.03953	14.4
55.01865	4.5
55.05515	14.2
65.03937	2.6
67.05509	32.7
69.07072	8.9
69.64814	7.1
79.05497	72.0
80.05000	1.6
81.03426	1.7
81.06594	2.0
81.07061	29.6
89.03933	1.3
91.05490	32.1
93.07047	100.0
94.04049	3.4
94.39603	1.1
95.04986	9.7
105.04530	5.6
105.07040	8.5
107.04962	19.8
107.08600	59.1
109.01118	2.6
109.05087	1.4
109.06493	1.3
115.05464	2.5
117.07021	1.9
119.03539	8.0
119.06053	2.6
119.08577	4.9
133.10130	1.6
135.04410	9.6
135.05534	3.0
135.06528	1.1
135.08076	9.2
135.11696	52.7
136.02174	25.2
136.05293	3.0
136.06194	77.9
136.07451	3.0
136.11179	1.2
137.04590	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	135.0806
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
51.23686	0.9
53.03955	9.7
53.60186	1.0
55.01879	12.1
55.05501	4.1
57.41246	0.9
57.50571	0.8
65.03947	10.2
67.05507	10.8
69.03436	8.7
69.07071	1.8
71.48483	1.6
76.85971	0.8
77.03928	2.4
79.05498	70.1
80.05805	1.6
81.03426	1.9
81.07060	2.8
89.03947	1.2
91.05485	100.0
92.05792	2.1
92.06274	2.7
93.07047	33.4
95.04979	11.4
104.12836	1.0
105.04505	5.2
105.07036	31.3
106.04205	2.2
107.04963	61.1
107.08597	60.3
109.01145	1.2
109.06522	9.5
115.05462	30.7
116.06266	1.5
117.06220	2.0
117.07024	21.6
119.03534	2.7
119.06060	9.2
119.08585	4.4
120.05753	1.5
135.04469	11.6
135.05481	1.6
135.08063	51.8
135.11685	9.6
136.02171	10.8
136.06197	15.7
136.07558	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	135.0805
Annotation	Isochavicol
Peak:m/z	Relative Intensity
50.01592	0.4
51.02383	0.5
53.03954	4.2
55.01868	1.6
55.05504	1.8
60.59878	0.5
65.03946	3.7
67.05510	3.4
70.73609	0.5
70.73949	1.3
77.03942	0.9
79.05499	23.0
81.03413	0.8
81.07057	1.2
89.03932	0.8
91.05488	40.3
92.06266	1.1
93.07048	8.2
95.04980	4.7
105.04523	2.5
105.07039	11.2
107.04964	13.9
107.08603	19.7
108.04489	0.7
109.01112	0.7
109.06522	3.5
115.05463	12.4
117.07025	5.2
119.03550	1.1
119.06091	2.6
119.08585	2.5
120.05712	1.7
120.09332	0.5
135.04483	4.9
135.08063	100.0
135.11653	4.1
136.02174	5.0
136.03920	0.6
136.06194	9.6
136.07457	0.7
136.08424	2.0
137.04579	0.6
142.40602	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.3
52.13457	0.6
53.03958	4.6
55.01868	1.4
55.05507	2.5
65.03939	1.5
67.05502	1.0
69.25021	4.8
69.25432	1.3
77.03937	1.5
78.47809	0.6
79.05495	15.1
81.03392	0.7
81.07033	0.8
88.69415	0.6
91.04914	1.0
91.05488	20.0
93.07049	14.0
95.04982	3.4
95.67509	0.5
103.05440	0.8
105.04545	2.7
105.07045	7.0
107.04961	100.0
107.08596	21.9
108.05311	1.0
109.06525	1.9
111.55802	0.5
115.05460	4.3
115.31673	0.6
117.07025	3.8
119.06082	1.8
119.08583	8.0
120.09369	2.1
135.04427	15.9
135.05487	0.6
135.08051	12.4
135.11711	9.7
136.02150	3.5
136.06181	3.3
136.07622	0.7
136.10413	0.5
151.03903	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0442
Annotation	Phenylglyoxal
Peak:m/z	Relative Intensity
50.01578	0.7
51.02387	0.8
51.40030	0.6
53.03951	8.5
55.01876	3.3
55.05523	1.0
63.02384	4.9
65.03945	3.0
67.05512	2.4
70.88364	1.7
77.03944	2.5
79.05499	35.5
80.05779	0.6
81.03404	0.9
81.07053	1.3
89.03924	100.0
91.05489	36.8
93.07050	10.5
94.04005	0.7
95.04979	9.5
105.04522	3.9
105.07036	10.6
107.04963	38.9
107.08601	21.3
107.09312	1.2
108.05301	0.8
109.06529	2.5
115.05466	21.2
116.06293	0.8
117.03390	37.9
117.07013	11.2
119.03592	1.9
119.06102	1.8
119.08615	2.4
120.09381	0.9
125.96822	0.8
128.18063	0.7
132.29828	0.6
134.06187	0.8
135.04431	69.3
135.08061	28.2
135.11719	3.4
136.02168	8.5
136.03906	1.3
136.05156	1.5
136.06189	17.2
136.07443	1.1
137.04675	0.8
145.04047	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.045
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45245	2.4
55.01871	5.0
56.96566	10.2
57.03445	17.6
58.99870	3.0
65.52186	4.0
68.02657	2.5
69.03427	5.9
69.48256	14.3
69.48658	5.5
72.52996	2.9
73.02911	7.6
77.00874	2.6
77.52163	3.7
78.04726	3.3
78.52962	3.7
79.02160	4.6
79.05488	6.5
79.51182	27.7
80.01215	4.9
80.51054	6.6
81.03424	7.2
82.01447	16.8
82.99843	3.9
84.52968	6.4
86.52709	13.3
88.02709	14.0
88.51700	67.0
89.01739	17.2
89.51576	10.6
91.05473	5.1
93.53492	2.9
94.03567	3.9
95.53207	3.3
98.20765	4.9
98.79667	2.7
98.97615	4.0
100.02493	47.2
100.52519	5.8
101.00883	31.6
101.02541	4.0
102.01001	9.2
102.02348	11.6
103.00668	7.1
103.02448	3.4
106.06609	4.3
107.04969	5.3
107.98187	3.1
108.48240	4.3
108.54027	2.8
109.02156	6.8
109.02892	3.8
111.02931	17.5
113.00884	7.1
115.01181	12.9
115.02431	6.0
116.98714	17.6
117.48774	3.0
117.98532	3.3
118.02657	8.4
118.03518	8.5
118.52442	5.0
119.01920	68.6
119.48982	13.9
119.53170	4.8
119.98998	2.9
120.01906	13.2
120.03376	4.9
120.04247	7.7
120.48859	6.1
121.01669	21.7
124.02465	9.3
125.02438	3.5
125.99240	21.7
126.01482	3.2
126.49270	4.7
126.99100	5.7
128.49512	72.6
128.97902	3.2
128.99547	27.1
129.03990	8.0
129.49365	14.5
131.01929	21.8
131.53185	31.1
132.03255	7.4
133.02196	4.6
133.03500	5.6
134.03648	37.5
134.06007	8.2
134.09634	6.5
135.03186	3.6
137.02974	12.0
137.48969	5.4
137.50023	100.0
138.00066	28.1
138.03070	5.2
138.49910	26.9
139.02676	4.4
140.00334	3.3
140.50388	3.2
140.53700	5.8
141.02766	3.5
142.03510	42.5
143.01871	5.0
143.03644	14.4
143.53247	4.2
144.03282	8.0
145.03561	6.5
147.05055	3.4
149.00812	7.3
149.02829	3.0
149.50824	4.2
149.51984	2.4
154.03525	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03933	1.9
55.05520	3.6
60.02948	0.7
60.61275	0.7
66.29809	0.6
67.05504	1.0
69.49781	4.8
77.03906	0.8
79.05495	8.5
85.08311	0.7
91.05492	28.4
93.07066	8.1
95.04977	1.7
100.77023	0.7
103.05463	5.5
105.07042	80.1
106.07364	0.8
107.08600	1.4
115.05480	10.7
116.06272	1.7
117.07033	10.1
118.07829	11.2
118.08615	1.3
123.08045	0.8
129.06996	0.8
131.08582	13.2
133.10147	100.0
134.10492	2.6
135.18703	0.6
149.92783	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03950	2.0
55.05517	4.5
64.54414	0.5
65.03922	0.6
67.05513	1.2
69.78843	0.5
70.73365	0.7
70.73705	1.1
77.03941	1.1
79.05499	12.0
81.03419	0.5
91.05489	34.0
92.06291	0.7
93.07039	6.3
95.04970	1.4
103.05476	6.6
105.07038	95.3
106.07374	1.4
107.08603	2.0
112.02209	0.5
115.05466	8.6
116.06231	1.8
117.07023	10.8
118.07815	11.6
123.07974	0.5
129.07014	1.0
131.08580	11.2
133.02832	0.6
133.06519	6.4
133.10139	100.0
134.10472	2.1
154.67719	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
51.02385	0.6
53.03951	1.3
53.85284	0.5
55.05505	1.6
65.03944	0.5
67.05519	0.7
70.06580	1.0
70.37990	1.1
70.38358	1.1
77.03945	0.6
79.05500	5.7
85.31362	0.5
91.05486	19.1
93.07048	2.0
95.04968	1.2
103.05466	2.4
105.07034	100.0
106.07359	1.7
113.02950	0.5
115.05467	1.5
116.06207	0.6
117.07012	1.5
118.07827	1.1
123.07964	1.4
131.08556	3.5
133.02866	1.2
133.06505	2.6
133.07619	2.0
133.10139	21.4
134.06026	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.02374	1.1
53.03939	2.7
53.97899	0.7
55.01880	1.0
55.05516	5.2
64.00239	0.7
65.03945	1.4
66.54897	0.6
67.05495	1.0
69.24898	1.5
69.25307	4.8
69.89912	0.7
77.03936	1.1
79.05500	14.8
82.53334	0.6
88.00602	0.7
91.05486	35.9
93.07043	8.9
95.04953	1.7
103.05463	7.7
104.06232	0.7
105.03405	1.4
105.07034	100.0
106.07359	1.4
107.08595	1.7
115.05460	11.2
116.06252	1.8
117.07033	10.7
118.04214	1.2
118.07804	10.4
129.06976	0.8
131.08569	12.1
133.02849	1.4
133.06525	11.8
133.10135	97.6
134.10474	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	132.1022
Annotation	Isoleucine
Peak:m/z	Relative Intensity
63.73786	0.9
69.07052	2.4
70.13158	2.5
86.09714	100.0
87.10064	1.6
97.30704	0.8
123.58633	0.8
132.10165	1.5
146.55070	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.065
Annotation	2-Indanone
Peak:m/z	Relative Intensity
50.01603	1.2
51.02380	4.4
53.03951	22.7
55.01871	1.7
55.05513	2.8
60.85712	0.5
65.03944	6.1
67.05502	1.3
69.65992	0.8
69.66405	2.2
70.06573	0.6
74.02450	0.6
77.03928	8.4
78.04707	0.9
79.05497	58.9
80.05824	0.6
81.03426	2.1
81.04537	0.9
87.10066	0.7
91.05486	29.2
91.18813	0.4
92.05789	0.6
93.07053	6.2
95.04974	19.7
98.21528	0.8
101.44510	0.5
102.04692	0.8
103.05473	27.1
104.05688	0.6
104.06309	1.1
105.03410	1.5
105.04525	11.7
105.07035	100.0
106.06541	0.5
106.07368	0.6
107.08575	1.3
112.02212	2.3
113.02998	1.1
115.05466	8.3
116.06236	1.8
117.07019	8.7
118.04143	0.8
118.07818	8.5
123.07940	4.1
129.07016	1.0
130.20630	0.5
131.08572	9.1
133.02882	2.5
133.06517	21.0
133.10135	78.9
134.10500	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01376	0.4
53.03944	1.8
65.03950	0.8
71.00473	1.0
84.08134	1.5
85.04828	1.4
85.08466	4.9
86.09711	0.6
91.05485	100.0
92.05814	1.6
94.45683	0.4
103.05473	6.0
106.84059	0.4
115.05464	6.7
116.06249	23.9
128.06224	1.6
129.07005	14.0
130.07355	0.6
131.04935	6.2
131.08571	80.3
132.08043	0.9
132.08917	1.9
133.06462	0.7
142.72630	0.4
143.06035	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0809
Annotation	6-Methyl indole
Peak:m/z	Relative Intensity
53.03939	1.3
54.03476	0.5
54.44414	0.5
65.93063	0.5
69.07064	1.5
69.93126	1.8
72.29541	0.5
72.93764	1.5
77.03928	0.6
79.05476	1.5
86.09710	10.0
87.04469	2.1
90.90385	2.8
90.94740	0.7
91.05489	3.7
93.05794	1.1
95.04993	0.9
103.01870	0.5
103.05472	1.1
104.04964	3.0
105.03378	0.9
105.07040	12.0
114.09161	1.0
115.05463	19.3
116.32686	0.6
116.69215	0.5
117.05766	58.3
118.06088	1.2
130.06529	7.6
131.07324	4.7
132.04494	3.7
132.08095	100.0
133.06491	2.1
133.08426	1.5
143.06036	1.5
149.94099	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.7
56.31260	0.4
56.96569	0.6
57.03426	0.4
65.03939	1.2
69.03413	0.5
71.06911	0.7
71.48143	0.6
72.08162	0.4
84.04498	0.8
84.08161	2.4
85.04830	2.8
85.08482	9.8
86.09718	1.3
91.05485	100.0
91.10345	0.4
92.05823	1.3
92.41017	0.4
95.04958	1.4
99.76766	0.4
102.04700	0.5
103.05476	11.6
105.04521	0.8
105.07033	0.7
113.07977	2.1
115.05470	7.5
116.06248	24.3
117.06524	0.6
128.06204	1.7
129.07013	14.8
130.07321	0.6
131.04938	24.7
131.08568	79.0
132.05283	0.7
132.08897	1.7
143.05978	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05132	0.5
51.02384	0.6
53.03947	1.7
65.03932	1.0
70.92819	1.6
84.08141	1.8
85.04858	2.2
85.07912	0.6
85.08475	7.6
86.09715	0.8
91.05486	100.0
92.05822	1.7
95.05001	0.5
102.07204	0.5
103.05473	6.3
105.07019	0.6
113.07944	1.1
115.05444	6.6
116.06249	24.2
120.69701	0.5
128.06242	1.5
129.07013	15.1
131.04938	12.1
131.08571	77.5
132.08891	1.5
133.86636	0.6
143.06001	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.7
57.03426	0.6
62.98917	0.6
65.03942	1.2
70.00137	1.2
70.00529	1.3
84.04488	0.8
84.08160	3.1
85.04851	3.5
85.08477	10.1
86.09720	1.6
89.03920	0.6
91.05487	100.0
92.05820	1.8
93.49699	0.5
95.04972	1.5
98.18495	0.5
102.04646	0.7
103.05472	10.2
105.04541	0.5
111.05167	0.5
113.07954	1.3
115.05459	8.7
116.06252	25.5
118.08109	0.5
128.06245	2.1
129.07010	14.7
130.07314	0.6
131.04947	14.9
131.08572	79.4
132.08066	0.7
132.08931	2.8
143.06078	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	5.0
61.46636	0.6
65.01575	0.5
71.15366	1.2
77.03919	2.1
95.04973	3.3
102.04684	2.0
103.05474	10.9
105.04537	2.9
124.70008	0.6
131.04938	100.0
132.05235	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42552	1.1
51.80314	1.1
52.78670	1.0
53.03947	6.7
57.03415	1.6
62.95574	1.0
70.03745	1.1
70.98012	2.5
71.06915	1.4
77.72906	1.1
84.04518	1.3
84.08156	6.4
85.04827	6.5
85.07960	1.7
85.08482	25.5
86.09690	1.4
89.13626	1.1
89.90693	2.1
90.90391	1.2
91.05487	24.7
92.16045	1.0
95.04967	5.1
102.04651	1.5
103.05465	21.3
104.52040	1.3
104.89754	1.1
105.04520	4.8
113.07877	2.5
116.06240	6.8
129.07034	3.0
129.48114	1.1
131.04935	100.0
131.06915	3.6
131.08527	17.3
131.16260	1.3
132.05266	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.0
53.03560	0.5
53.03949	6.0
59.78857	0.5
62.15908	0.5
65.21094	0.5
66.99063	0.5
69.29256	1.2
69.29657	4.1
77.03926	2.4
81.03401	0.6
82.02998	0.5
85.45139	0.5
90.13532	0.5
91.05481	1.6
95.04976	3.6
99.39514	0.5
102.04678	1.8
103.05473	16.1
105.04517	1.8
106.48402	0.5
131.04933	100.0
132.05246	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.3
58.99869	1.3
67.09236	0.2
69.26205	0.2
70.68819	0.4
70.99860	4.8
77.00906	0.5
81.03449	0.4
82.01453	1.1
82.99848	8.9
83.01499	1.2
83.99945	0.3
84.01196	1.0
89.00905	1.8
96.04510	0.3
100.02489	1.5
101.00887	67.9
101.02532	1.9
102.00937	1.3
102.02232	0.7
111.00459	0.7
118.03514	0.3
119.01926	100.0
120.01994	2.7
121.01608	0.4
121.02390	0.4
124.02530	1.4
124.03982	1.3
124.04749	0.3
127.51062	0.3
133.01646	0.4
133.03506	0.3
137.02962	15.4
142.03500	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	126.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.7
54.62475	0.6
55.01868	1.7
55.05513	31.1
56.05040	4.7
57.03444	1.2
58.06593	1.8
61.15626	0.6
65.03934	1.3
65.23083	0.6
67.05489	1.5
69.03429	7.2
69.05800	1.1
70.06588	7.4
71.04977	2.1
71.28629	1.1
72.08136	0.8
72.98437	0.7
79.05497	13.5
80.05017	5.7
81.03420	10.5
81.07057	37.1
82.06584	1.2
83.07362	2.0
83.08620	10.7
84.04514	3.3
84.08148	3.0
90.03448	1.6
91.05469	3.4
93.05785	3.9
96.04489	5.3
97.02892	2.0
97.05275	22.7
98.03194	0.6
98.06068	15.6
98.09695	11.3
99.00040	1.0
99.04459	1.9
108.04504	3.8
108.08122	17.8
109.02154	0.6
109.02888	9.2
109.06520	29.1
109.08564	0.7
109.29044	0.6
110.06930	0.5
111.06825	2.1
121.01651	0.7
126.01064	1.8
126.02590	0.7
126.05531	7.6
126.09157	100.0
127.03922	13.1
127.04839	1.3
127.09548	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.112
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99738	1.3
53.00058	1.4
53.00303	5.9
53.03715	2.2
53.03951	33.9
55.01878	14.6
55.05516	7.6
57.03426	5.6
58.92839	1.3
67.01859	2.8
67.05527	3.2
69.03433	7.7
69.71923	5.1
69.72338	4.3
71.01370	1.9
71.05001	38.9
73.40008	1.5
79.05501	22.4
81.03423	87.8
81.07059	62.8
82.06575	2.7
83.04974	1.4
84.08141	1.6
85.02885	2.8
85.06552	7.8
95.01342	3.0
97.02909	5.9
99.04453	9.6
103.91619	1.5
105.31339	1.8
106.16935	1.4
109.02886	93.3
109.06522	22.2
111.05828	1.7
127.03927	100.0
127.07549	7.3
127.11217	5.7
127.64248	1.8
128.04271	1.9
128.07047	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	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	0.4
53.03946	2.1
55.05519	5.8
57.07079	3.4
65.03940	1.4
67.05508	17.9
68.05013	0.3
69.07063	2.1
69.93695	1.0
77.03942	0.6
78.03467	0.4
79.05499	16.7
80.05025	6.3
81.03432	0.5
81.07061	100.0
82.01445	0.5
82.07402	0.9
83.83997	0.3
93.07063	2.1
94.07819	0.5
94.75246	0.3
95.04978	4.8
95.08617	11.6
96.04500	2.3
98.21455	0.5
100.02494	2.0
105.04544	0.5
105.07022	0.9
106.02922	0.6
108.05742	0.6
108.09415	0.4
112.03961	0.7
118.03544	0.5
121.10171	1.0
123.04481	1.5
123.05557	11.3
123.08070	4.7
123.09041	0.5
123.11716	13.3
124.03951	2.9
139.36864	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32951	0.2
52.07678	0.2
53.33613	0.2
55.31248	0.3
57.13995	0.2
68.50424	0.2
69.18606	2.4
82.01446	0.6
82.99846	8.6
83.01499	1.1
84.01200	0.2
100.02470	0.7
100.63841	0.2
101.00883	58.5
101.02534	1.6
101.31512	0.2
102.00960	1.3
111.00428	0.5
118.03522	0.3
119.01923	100.0
120.01978	2.4
121.02374	0.5
124.02431	1.0
137.02956	15.1
138.03082	0.3
142.03511	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	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.6
55.05515	5.6
57.07080	4.4
65.03928	2.0
67.05510	23.8
68.05016	1.5
69.07072	5.2
71.47945	0.8
71.48321	1.1
77.03922	1.8
78.03460	3.0
79.05076	1.5
79.05499	22.1
79.05939	0.8
80.05022	38.6
80.05498	2.1
81.03422	1.0
81.07059	100.0
82.01433	3.6
82.07399	1.3
93.07055	3.5
94.07807	1.2
94.32803	0.8
95.04978	26.6
95.06119	1.1
95.06897	1.0
95.08614	19.3
96.03909	1.4
96.04500	19.2
96.08102	0.9
100.01872	1.2
100.02486	16.9
105.04514	2.3
105.07027	3.2
106.02931	2.8
106.06553	1.1
107.04996	1.0
108.05743	7.1
108.09312	1.1
112.03951	5.2
118.03532	9.2
119.01908	3.5
121.10141	1.1
123.04452	7.5
123.05557	78.2
123.08074	16.7
123.09170	4.2
123.09986	1.1
123.11713	20.8
124.03954	22.7
124.05885	1.1
124.07588	2.2
140.03415	1.4
141.05118	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0807
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02380	1.0
52.11559	0.6
52.38287	0.6
53.03946	7.5
55.01873	2.6
55.05511	11.0
57.07080	4.2
59.23158	0.6
65.03951	3.3
67.05508	46.5
68.05049	0.6
69.03432	2.0
69.07072	3.0
70.00149	3.0
71.44965	0.6
77.03922	1.2
78.03452	2.1
79.05494	23.6
80.05020	24.5
80.06248	0.7
81.03400	3.3
81.07059	89.3
82.01447	2.7
91.05486	2.3
93.07043	10.2
94.07803	1.8
95.04971	40.5
95.08611	33.5
96.04495	12.5
96.08183	0.7
96.08893	0.9
98.20868	1.2
100.02493	9.9
101.00861	0.9
103.05441	1.2
105.03403	1.6
105.04531	4.0
105.07037	7.4
106.02882	0.8
107.04961	0.8
108.05738	11.3
108.09407	0.8
112.03966	3.4
116.37492	0.7
118.03522	3.6
119.01920	1.7
121.06519	2.0
121.10160	0.8
123.04447	15.2
123.05557	45.1
123.08073	100.0
123.11710	18.5
124.03957	13.1
124.07577	2.1
124.08372	1.6
140.03378	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0808
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
50.01593	1.0
51.02388	1.9
53.03947	10.4
55.01868	4.7
55.05513	19.0
57.03432	0.8
57.07083	3.1
62.33232	0.6
65.03939	5.0
67.05506	77.6
68.05035	0.8
68.05830	0.9
68.99796	0.8
69.03435	1.5
69.07069	2.5
71.48340	0.6
77.03918	3.3
78.03460	2.2
79.05493	33.3
80.05017	23.6
80.05790	1.2
80.06276	2.8
81.03415	6.4
81.04553	0.7
81.07056	85.5
82.01445	4.1
82.07391	0.9
83.00769	0.7
83.05003	0.9
91.05473	6.7
93.00844	0.6
93.07047	19.9
94.07848	1.0
95.01346	0.7
95.04971	61.2
95.08609	59.0
96.04493	13.5
96.05183	1.0
96.05314	0.9
96.08112	1.8
96.08967	0.6
100.02488	14.7
101.00912	1.1
103.05473	3.2
104.08124	0.6
105.03406	3.1
105.04494	5.0
105.07034	15.1
106.02912	1.9
107.04965	3.5
108.05754	21.6
112.03965	2.5
115.68970	0.6
118.03518	6.1
119.01163	0.7
119.01889	3.5
121.06522	2.6
121.10104	0.8
123.04445	21.7
123.05556	44.6
123.08071	100.0
123.11700	16.2
124.03961	16.5
124.07589	3.6
124.08392	2.0
125.44366	0.6
135.05406	0.6
136.73224	0.6
137.02953	1.0
140.03462	0.9
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	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02380	2.9
53.03951	33.2
55.01867	2.8
55.05509	3.6
58.99068	1.1
65.03948	10.1
67.05499	2.8
71.03124	1.2
71.03445	2.3
77.03928	7.7
78.04707	2.0
79.05496	48.2
81.03416	4.1
81.07048	2.3
91.05488	76.5
92.05838	2.2
93.04506	1.4
93.07049	80.4
95.04976	32.1
101.95083	1.2
103.05474	68.2
104.05794	2.7
105.04527	18.4
105.07037	100.0
106.07863	7.1
111.04353	1.2
119.08599	15.4
121.02890	6.7
121.04012	4.1
121.06514	82.0
121.08424	3.3
121.10146	55.8
122.06020	3.0
122.06845	2.2
123.08052	7.5
123.60692	1.1
128.47079	1.2
133.07607	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	123.0444
Annotation	Tropolone
Peak:m/z	Relative Intensity
50.01596	0.9
51.02386	4.5
53.00309	0.3
53.03952	8.6
55.01876	2.1
55.05510	0.6
56.96562	1.5
57.03436	0.5
58.99858	0.5
65.03941	1.5
67.05510	9.6
69.82584	1.7
77.03939	13.3
78.03454	0.6
78.04274	0.4
79.05502	1.8
80.05019	5.7
81.03424	1.6
81.07070	2.2
82.01455	6.4
82.99861	0.4
91.00524	1.1
93.07063	0.3
95.04977	20.4
95.08601	1.0
96.04497	2.5
96.05305	0.6
98.97543	0.5
100.02493	12.5
101.00891	8.5
103.05502	0.3
105.03406	13.4
105.04488	4.2
106.02927	0.4
108.05767	0.5
111.52695	0.4
112.03984	0.5
118.03542	4.1
119.01934	18.7
120.08111	0.4
123.04444	100.0
123.05531	11.5
123.08017	2.6
123.09961	0.6
123.11694	0.4
124.03967	2.6
124.04790	1.2
124.07623	0.7
137.02991	2.9
142.03500	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.8
53.03720	1.1
53.03953	19.0
55.01877	2.4
55.05510	9.1
65.03946	11.3
67.05507	34.0
68.05850	1.2
70.17522	4.6
75.35403	1.0
77.03937	2.4
79.05497	81.2
80.05032	1.2
81.03426	3.1
81.07065	2.7
84.90786	1.1
91.05486	45.6
93.04520	3.0
93.07049	100.0
94.06561	2.1
94.07390	1.3
95.04976	16.3
103.05468	33.6
104.05763	1.9
105.04520	9.8
105.07037	28.5
105.68312	1.1
106.07866	1.7
119.08590	4.7
121.02909	11.0
121.03938	6.9
121.06525	30.4
121.07417	2.3
121.08399	1.7
121.10150	37.4
122.06034	2.2
122.09678	3.8
123.08068	2.3
133.07614	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	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
50.71564	0.8
53.03714	1.0
53.03948	12.6
55.01865	1.0
55.05515	11.1
56.14063	0.8
57.25936	0.9
58.18911	0.7
64.86288	0.8
65.03939	4.3
67.05511	37.8
71.49139	1.2
77.03924	1.6
79.05499	87.9
80.05046	0.9
81.03407	1.4
81.07034	1.3
91.05491	27.1
93.04524	1.3
93.07051	100.0
94.07365	2.2
95.04987	9.5
103.05468	14.7
105.04523	5.6
105.07037	22.5
106.07790	1.3
107.37401	1.0
114.10725	0.8
119.08615	5.0
121.02918	4.6
121.03996	2.4
121.06529	11.2
121.10150	38.6
133.07594	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1015
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02374	3.5
53.03718	1.7
53.03952	26.7
55.01859	3.4
55.05496	3.7
63.01162	0.9
65.03938	3.2
70.18258	4.2
74.17534	1.0
77.03944	7.6
78.04698	1.1
79.05498	51.8
81.03407	2.9
81.07054	1.9
85.28075	1.0
91.05487	64.1
92.05808	2.2
93.07050	63.0
94.07379	1.2
95.04977	24.3
96.98357	0.9
102.04696	2.1
103.05473	64.5
104.05804	2.2
105.04530	11.9
105.07034	100.0
106.07858	7.5
119.08599	16.5
120.05727	1.3
121.06511	83.8
121.10145	46.5
122.06832	1.0
123.08080	9.3
127.19238	1.1
133.07623	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	120.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44274	0.4
51.02372	0.8
53.03945	5.2
53.74460	0.4
56.05032	0.9
57.69929	0.4
65.03938	1.7
67.05487	0.4
69.46796	0.5
71.16788	0.7
74.06066	1.4
77.03925	1.1
78.93142	0.8
79.05516	2.7
79.05898	0.5
80.05018	0.8
81.03423	0.5
91.05486	15.6
92.05007	1.4
92.05823	3.0
93.05787	0.6
93.07047	18.8
94.06568	1.2
95.04965	5.1
96.94119	0.4
102.04694	1.1
102.05518	0.5
103.05472	93.4
104.05783	1.6
105.04499	2.5
105.07104	2.1
118.06561	1.4
118.07362	0.7
119.07333	1.4
120.05630	1.7
120.08114	100.0
121.02896	0.6
121.06522	1.8
121.08468	1.1
121.10143	0.9
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	2-Ethyltoluene
Peak:m/z	Relative Intensity
50.01590	1.1
51.02375	1.5
51.97113	1.1
51.97381	1.1
53.03712	1.7
53.03946	18.9
55.01875	2.3
55.05505	8.0
55.34805	1.0
65.03938	11.3
67.05505	36.5
69.15668	10.8
69.15977	1.0
77.03917	3.2
79.05495	79.9
81.03418	2.0
81.07048	2.8
89.69176	1.0
91.04912	2.4
91.05481	49.6
93.04513	2.7
93.07044	100.0
94.06567	2.4
94.07381	1.7
95.04967	16.1
102.04725	1.2
103.04803	2.2
103.05468	33.5
105.04520	11.0
105.07031	32.3
106.07820	2.8
111.04419	1.6
112.03880	1.0
119.08583	6.0
121.02897	10.9
121.03881	6.1
121.06516	35.6
121.07406	1.3
121.08387	1.3
121.10145	36.3
122.06033	1.6
122.09673	2.3
123.08040	2.6
133.07617	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	121.1015
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02384	1.5
53.03718	1.0
53.03952	15.9
55.01866	1.7
55.05516	11.5
65.03949	6.6
67.05510	43.3
71.37959	1.4
73.07248	0.9
77.03933	3.0
79.05499	92.5
81.03419	2.0
81.07060	2.7
82.44813	0.9
87.55975	1.0
91.05486	39.4
93.04528	2.3
93.07050	100.0
94.06574	1.0
95.04976	14.0
103.05474	20.3
105.04523	8.6
105.07039	25.2
106.07831	2.4
119.08581	4.2
121.02904	6.7
121.04012	4.6
121.05105	1.0
121.06525	19.9
121.10151	39.5
121.26926	1.0
122.06023	2.2
122.09689	2.9
123.08112	2.1
133.07613	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03944	2.9
59.54971	0.5
62.73132	0.4
64.27914	0.5
65.03940	3.5
69.28540	3.7
77.03947	0.9
78.04710	1.6
79.05498	8.3
91.05486	90.1
92.05817	1.0
93.07040	5.9
95.04975	2.2
103.05469	11.9
104.06260	12.8
105.04532	1.9
109.06525	1.0
115.05449	5.4
117.07023	22.3
119.08586	100.0
120.08157	0.6
120.08919	1.1
131.06050	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
52.81441	0.7
53.03944	1.2
53.24215	0.8
55.05511	1.1
58.35501	0.8
60.05636	0.7
65.03931	1.0
67.41181	0.8
69.03422	1.4
70.06573	0.9
71.28837	1.1
72.08160	6.3
74.56133	0.8
76.93369	5.9
83.10421	0.7
87.04466	3.2
91.05484	41.0
93.28727	0.7
95.04973	0.9
100.07645	1.3
117.05772	5.7
118.06548	100.0
119.06940	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0655
Annotation	Indole
Peak:m/z	Relative Intensity
50.01595	2.8
51.02382	9.0
53.03952	68.3
55.01868	3.5
55.05516	4.0
58.06604	4.1
59.07394	1.8
59.93089	1.9
65.03939	1.5
65.90596	1.4
69.03438	1.9
70.01820	6.3
72.08164	22.5
76.93379	18.1
77.03932	15.8
78.14784	1.5
81.03443	8.3
82.94440	1.3
87.04469	6.2
90.41936	1.3
90.73922	1.2
91.05488	24.2
94.94405	3.7
95.04978	63.4
102.06177	1.5
105.04523	34.9
116.05899	1.8
117.07012	3.7
117.96033	2.5
118.06555	100.0
118.08663	6.4
119.08592	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	118.0866
Annotation	L-Valine
Peak:m/z	Relative Intensity
50.15692	0.3
51.37133	0.3
52.07718	0.3
53.03941	0.8
55.05516	20.6
56.05017	0.5
57.05822	1.5
58.06602	2.6
59.05000	0.3
59.07395	2.2
59.48391	0.3
62.33000	0.3
69.03421	0.4
70.99899	0.7
72.08160	100.0
73.08477	0.7
74.50954	0.3
80.05798	0.3
81.01550	0.3
91.05486	0.5
100.07629	0.3
118.06558	0.3
118.08662	8.1
131.08871	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78323	2.7
55.76117	3.2
63.54629	2.7
67.05495	8.8
69.03431	3.5
69.84587	13.3
78.10616	2.6
82.01441	7.4
82.99827	6.0
83.74051	2.8
85.01404	3.6
87.35938	3.2
91.05459	6.0
98.21442	4.7
100.02489	6.0
101.00884	46.4
101.02573	2.9
103.02412	4.3
107.05267	9.2
116.05799	5.0
119.01921	100.0
121.03452	4.2
122.21799	3.0
137.02954	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03952	1.7
54.04280	0.8
65.03944	2.8
70.99975	0.7
71.00321	0.4
74.06076	0.6
79.05501	3.3
91.05488	100.0
92.05836	1.2
93.07049	2.8
95.04961	1.5
96.05308	0.6
102.02985	0.5
103.05479	7.1
104.06258	4.9
105.04516	0.7
106.04849	0.7
115.05499	2.3
117.07027	11.5
119.04954	1.2
119.06075	2.0
119.06862	2.0
119.08588	36.6
120.05662	0.6
120.08159	3.1
120.08926	0.8
137.40009	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
50.01592	2.0
51.02383	8.9
52.67054	1.6
53.03952	82.3
55.01868	5.7
58.06595	3.6
67.97215	1.5
69.03439	9.9
70.06582	3.1
72.08157	4.6
76.93348	1.6
77.03937	16.7
81.03441	7.4
87.04472	27.2
91.05482	20.0
92.05833	2.7
95.04980	67.9
98.21484	2.9
100.07624	9.6
104.06213	1.7
105.04526	37.8
105.05230	1.9
109.64158	1.6
116.05810	7.5
117.07040	2.5
118.06557	100.0
118.07336	6.6
118.08598	7.6
119.08537	7.4
130.94923	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	2.3
51.02376	7.0
53.03953	69.4
55.01871	3.3
55.05519	3.7
58.06603	1.7
63.30092	1.5
65.03930	2.1
69.03430	4.0
69.59564	1.7
69.81940	5.5
69.82351	3.9
70.06581	4.0
72.08160	21.3
76.93370	18.1
77.03935	18.8
79.05507	2.1
81.03426	5.2
81.65968	1.9
87.04477	19.3
88.25682	1.6
91.05491	33.6
92.05811	2.1
92.50173	1.9
92.62626	1.7
94.94427	4.1
95.04982	54.7
98.21516	2.4
100.07622	7.5
103.05460	2.7
103.42992	1.7
104.06238	3.3
105.04527	33.0
115.05473	2.2
115.60300	1.8
116.05808	6.9
117.07012	10.6
118.06557	100.0
118.07339	8.2
118.08623	4.5
119.08591	21.3
121.16780	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0655
Annotation	Indole
Peak:m/z	Relative Intensity
50.01599	3.2
51.02386	10.4
53.03953	87.0
54.88594	1.8
55.01873	4.0
55.05519	2.9
58.06603	4.6
59.07391	4.5
69.03432	7.2
70.06594	4.2
72.08160	8.1
76.93380	3.8
77.03932	16.1
81.03426	7.3
87.04478	20.3
91.05489	19.3
92.05807	3.9
95.04376	4.2
95.04980	76.5
100.07629	6.4
105.04530	45.8
109.73399	1.8
116.05809	8.0
118.06564	100.0
118.07359	8.4
118.08677	13.3
119.06878	2.9
119.08621	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	118.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01602	2.8
51.02388	9.6
53.03950	74.3
53.04211	3.6
54.04274	1.5
55.05497	2.2
56.63827	1.7
56.78021	1.3
57.57434	1.4
58.06593	5.8
59.07371	4.8
69.03423	4.7
70.06591	2.8
70.86647	2.8
72.08162	14.6
76.93395	3.7
77.03929	15.2
81.03418	8.8
87.04464	13.7
91.05486	20.4
92.05799	2.4
95.04971	62.2
100.07618	6.3
104.06255	2.1
105.04524	41.3
116.05812	4.9
117.07016	3.3
118.06555	100.0
118.07329	7.7
118.08639	13.6
119.08586	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	117.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	2.8
53.03952	20.3
55.05502	12.4
57.03438	51.6
58.06593	6.5
59.04991	13.5
59.07380	3.4
59.93115	5.8
61.02935	4.2
63.02372	17.9
69.03431	50.3
70.06590	21.8
71.01344	3.3
71.04659	3.7
71.04995	44.6
71.06309	6.7
71.06924	69.9
71.08643	5.1
71.47364	4.1
72.04514	7.2
72.08163	57.2
73.02914	6.1
74.93809	10.6
75.93608	6.3
76.93373	46.7
79.05490	7.6
81.03389	4.0
81.07058	15.5
87.04449	7.6
89.03920	100.0
91.05490	57.5
92.94850	3.8
94.94407	22.9
95.04996	14.6
98.97612	4.1
99.04440	11.1
100.11256	5.3
105.04502	9.6
115.05460	77.8
116.98698	3.7
117.05715	13.6
117.06987	63.4
117.09165	4.1
117.11061	23.3
117.95942	5.3
118.06564	29.1
118.08659	10.5
134.99673	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	118.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01602	2.2
50.84416	1.7
51.02393	8.7
53.03951	78.8
55.01872	3.4
55.05510	2.8
58.06590	7.3
59.07378	3.7
65.03938	2.3
69.03448	3.9
70.06599	1.9
72.08159	16.6
76.93376	6.6
77.03932	15.0
79.29327	1.6
81.03422	5.0
87.04472	17.8
88.57935	1.7
91.05490	22.3
92.05802	2.9
92.99652	2.0
95.04974	64.3
100.07629	5.4
105.04523	40.8
105.05217	2.5
116.05806	6.3
117.07018	4.2
118.06556	100.0
118.07330	7.6
118.08633	20.9
118.09322	2.0
119.08590	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	114.1281
Annotation	N-METHYLCYCLOHEXYLAMINE
Peak:m/z	Relative Intensity
56.05031	3.1
56.96564	8.4
57.05831	6.0
58.06606	29.4
59.04988	2.1
68.05029	7.3
69.03420	3.1
69.07051	3.0
69.82486	4.9
70.06610	5.0
71.07375	10.3
72.04524	1.5
72.08160	75.2
72.79422	0.8
72.93794	100.0
73.62423	0.9
74.21394	0.8
74.64059	1.0
77.52418	0.8
80.33554	1.0
84.08121	1.6
86.06078	2.7
87.04461	1.6
90.94834	18.8
91.00526	3.3
96.04537	1.4
98.20707	1.0
102.53156	2.5
108.95934	1.5
111.53645	2.3
112.07612	1.1
112.95475	1.1
113.96404	7.6
114.02708	2.1
114.05518	6.6
114.09174	10.9
114.12812	46.2
115.03934	4.3
130.96526	1.5
131.97437	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	111.0808
Annotation	trans,trans-2,4-Heptadienal
Peak:m/z	Relative Intensity
51.02379	1.1
53.03951	10.5
55.01878	20.1
55.05516	55.2
55.37984	1.0
56.05037	1.3
57.03448	1.5
57.93573	1.2
65.03950	9.7
66.04270	1.1
67.05518	8.4
68.05020	5.6
69.03436	23.8
69.07066	5.9
69.66423	1.1
69.81368	5.5
70.06590	2.9
70.94254	4.9
72.22318	1.1
77.03903	1.2
79.05511	1.9
81.07052	4.7
82.05330	4.1
83.04985	22.8
83.06120	4.0
83.08620	9.6
84.08153	1.8
88.00486	21.4
88.50661	1.2
88.95306	1.2
89.00278	1.9
91.05489	26.8
93.03399	4.1
93.07055	34.1
94.02942	1.6
95.04964	8.7
96.05775	2.0
97.01012	12.3
98.21487	1.3
99.51289	2.3
105.04539	3.2
105.67712	1.1
111.00774	2.7
111.04452	43.1
111.05614	9.1
111.06425	3.9
111.08089	100.0
111.09271	2.6
112.03996	3.0
112.07640	5.7
115.96447	9.5
116.97257	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00315	1.3
53.03952	2.4
53.45096	0.6
54.03473	1.9
55.01875	1.6
55.05515	32.7
56.05038	4.3
57.07080	2.3
58.06601	2.1
67.05503	2.7
68.05034	7.8
69.03421	1.2
69.04556	3.5
69.05371	1.5
69.07071	96.1
69.79792	3.4
70.02953	1.1
70.04904	1.3
70.05334	1.2
70.06593	64.9
71.06134	4.2
71.07362	3.6
82.05319	1.8
82.06580	1.4
83.04984	2.2
83.06100	7.4
84.04499	1.1
84.05622	0.8
84.08156	4.1
85.07660	3.6
88.00485	3.8
91.20216	0.6
92.30525	0.7
93.04567	0.9
93.07000	1.2
94.06570	5.6
95.06106	3.2
96.05636	3.7
96.06155	0.6
96.06857	3.6
97.01008	1.5
97.06359	0.6
98.21487	0.7
110.07174	12.1
111.04449	3.3
111.05598	9.2
111.06725	3.2
111.07398	10.0
111.08034	2.9
111.09207	100.0
112.03997	0.9
112.05123	1.3
112.07590	1.1
112.08739	22.0
112.09476	0.9
115.96420	1.7
116.97153	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03951	1.9
54.03468	0.3
55.05513	10.6
56.05042	0.4
58.57404	0.3
65.03942	4.5
67.05508	100.0
68.05036	3.9
68.05850	0.6
69.04564	2.0
69.07072	7.3
69.07410	0.3
69.16838	3.1
69.17243	0.7
69.93822	0.3
78.73759	0.3
79.05500	7.5
80.05007	0.4
80.06277	1.2
81.03419	1.2
81.04548	0.4
81.07059	32.0
82.06559	1.8
82.07404	0.4
83.06071	0.7
91.05482	1.1
92.05019	0.3
94.07843	1.8
105.07007	0.5
107.08588	3.7
109.02879	0.4
109.04047	0.4
109.06488	0.9
109.07660	8.7
109.10162	47.2
110.06076	1.7
110.07172	7.9
110.07865	0.3
110.10509	0.3
121.38788	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
52.05718	0.4
53.03952	2.9
54.03465	0.4
55.05515	10.7
60.51831	0.3
65.03941	4.8
67.05508	100.0
68.05026	5.4
68.05845	0.6
69.04559	3.5
69.07072	6.6
69.20229	3.6
79.05499	9.3
80.05016	0.5
80.06289	1.5
81.03425	2.3
81.04536	1.0
81.07059	31.0
82.06585	3.0
83.06095	0.6
91.05473	1.2
92.04986	0.9
93.04529	0.8
94.04187	0.5
94.07829	1.7
105.07079	0.6
107.08583	3.8
109.02892	0.7
109.05177	0.4
109.06589	2.1
109.07664	18.8
109.10160	52.1
110.06059	3.1
110.07175	14.1
110.07746	0.2
110.10486	0.7
125.30962	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
51.02394	0.7
53.00305	0.8
53.03950	21.4
55.01887	1.5
55.05517	10.6
55.05764	1.0
65.03948	5.8
67.05509	100.0
67.93546	0.6
68.05836	1.3
69.07069	5.4
70.43777	1.5
79.05496	12.2
79.05930	1.2
80.06281	2.1
81.02930	1.3
81.03423	31.2
81.07062	33.8
82.06589	0.8
87.00474	1.5
88.67594	0.6
89.68692	0.6
91.05491	2.3
94.04190	1.7
94.07824	1.6
106.88214	0.6
107.04956	0.9
107.08588	3.6
109.02895	7.3
109.06538	9.9
109.07683	4.7
109.08397	1.1
109.10163	34.3
110.06045	7.2
113.96381	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00318	0.9
53.03950	4.4
55.05515	12.3
56.05042	0.7
65.03947	4.9
66.03458	0.4
67.05508	100.0
68.05038	7.6
68.05830	1.0
69.04559	3.3
69.07075	7.8
69.12574	0.6
69.12889	5.4
78.71268	0.5
79.05502	8.8
80.05019	1.1
80.06284	1.6
81.03429	3.3
81.07062	35.5
82.06593	3.2
82.07389	0.5
83.06084	1.5
91.05491	1.5
92.05013	1.0
93.04541	1.2
94.04249	0.6
94.05303	0.5
94.07837	2.7
105.07032	0.9
107.08599	4.1
109.02864	1.1
109.06502	1.8
109.07662	22.1
109.08472	1.7
109.10161	56.5
110.06067	3.2
110.07174	16.3
110.07848	0.4
110.10484	0.6
117.73408	0.4
127.99482	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0653
Annotation	4-Cresol
Peak:m/z	Relative Intensity
50.18483	0.4
51.02366	0.6
53.03953	10.8
55.01866	1.9
55.05515	1.0
65.03945	13.8
65.97357	0.5
66.04711	1.7
67.05186	0.8
67.05514	12.6
69.07082	0.7
79.05498	18.1
81.03425	15.0
81.07063	40.1
82.06578	1.5
86.50612	0.9
91.05489	38.7
94.04194	57.2
95.04987	0.8
98.20710	1.2
107.04967	25.2
107.08604	0.6
108.05265	0.6
109.02872	3.3
109.06526	100.0
109.07709	3.2
109.10166	5.0
110.06085	4.0
110.06816	0.9
111.04459	2.8
119.06088	4.5
121.03246	0.5
121.03995	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	109.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	2.1
53.00309	0.8
53.03950	40.4
55.01872	6.9
55.05515	10.0
65.03938	7.1
66.04727	1.2
67.05506	100.0
67.93557	0.6
69.07069	6.9
71.48535	1.2
78.29157	0.6
79.05495	44.7
80.06274	1.0
81.03420	64.1
81.07056	58.1
82.06565	0.7
91.05483	13.7
92.05799	0.6
94.04192	5.9
94.07823	1.4
95.04962	1.1
104.64046	0.5
107.04971	1.6
107.08615	3.2
109.02882	17.0
109.06521	82.2
109.07695	2.5
109.10156	41.1
110.06039	2.6
110.06792	0.9
117.75898	0.7
124.89790	0.6
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
51.02380	0.6
53.00309	0.6
53.03951	10.3
53.04204	0.6
55.01886	0.8
55.05513	9.1
65.03944	5.7
66.67788	0.3
67.05509	100.0
68.05840	0.7
69.07072	5.7
71.48563	0.5
76.23495	0.4
76.24010	0.4
79.05501	11.2
80.06284	1.3
81.03423	15.1
81.07062	30.1
82.06577	0.9
91.05502	2.7
94.04199	2.1
94.07830	1.1
104.08113	0.4
105.07043	0.5
107.04952	0.9
107.08601	3.3
109.02899	4.3
109.06523	6.0
109.07648	1.6
109.08568	0.9
109.10163	35.5
110.06049	3.6
121.58601	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0653
Annotation	o-Cresol
Peak:m/z	Relative Intensity
51.02391	1.4
53.00312	1.1
53.03951	31.8
55.01878	8.0
55.05513	10.7
55.86568	0.5
64.19827	0.6
65.03941	8.5
66.04735	1.5
67.05508	95.4
68.05833	1.0
69.07073	7.1
69.53581	4.0
69.53989	1.4
79.05497	54.5
80.06287	1.2
81.03425	42.9
81.07059	66.2
82.06583	1.0
82.07398	0.7
91.05492	13.9
94.04187	6.5
94.07830	1.1
95.04984	1.3
107.04981	2.0
107.08601	3.9
109.02885	11.7
109.06524	100.0
109.10162	47.6
109.97495	0.6
110.06049	1.2
110.06795	0.8
116.93859	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0652
Annotation	4-Cresol
Peak:m/z	Relative Intensity
51.02383	0.8
53.03719	0.8
53.03951	12.6
55.01875	7.7
55.05502	1.8
56.90872	0.5
65.03942	5.2
66.04704	1.3
67.05508	24.8
69.07059	1.7
70.17802	1.6
70.18173	0.4
79.05498	40.2
81.03424	10.4
81.07059	38.6
88.02622	0.5
91.05489	13.1
94.04188	5.0
95.04987	0.9
105.04559	0.5
105.19247	0.4
107.04983	1.2
107.08585	0.6
109.02872	2.7
109.06522	100.0
109.10158	11.9
110.06090	0.7
110.06853	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0653
Annotation	o-Cresol
Peak:m/z	Relative Intensity
51.02382	0.9
53.00312	1.1
53.03950	12.7
54.43434	0.4
55.01873	2.0
55.05515	4.2
63.02402	0.4
64.78674	0.4
65.03944	16.4
66.04729	1.4
67.05508	41.5
67.93555	0.5
68.05014	0.6
68.99825	0.4
69.03419	0.7
69.07074	2.5
71.48830	0.6
74.99861	0.4
79.05497	23.7
80.06278	0.6
81.02922	0.7
81.03423	23.9
81.07057	50.0
82.06583	1.1
86.00692	0.5
86.50617	0.8
87.00475	1.0
91.05483	37.5
92.05799	0.8
94.04190	53.0
94.07817	0.6
95.04973	0.8
106.04118	0.5
107.04958	24.8
107.08593	1.4
109.02884	4.8
109.06522	100.0
109.07585	5.0
109.10155	15.5
110.06059	5.4
110.06802	0.7
111.04451	3.2
113.96405	0.5
119.06077	3.7
121.03985	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	107.086
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02379	1.0
53.03951	11.8
55.01880	2.7
55.05491	0.5
58.89400	0.4
62.99076	0.6
64.58476	0.3
65.03946	15.1
65.04287	0.9
67.05508	4.8
71.00549	0.4
71.00916	0.9
74.58290	0.5
77.03934	3.4
79.05497	41.9
81.03410	1.3
91.05486	100.0
92.05804	0.6
92.06275	3.3
94.08953	0.4
95.04977	11.0
95.05577	0.8
103.05464	1.1
105.04523	6.0
105.07037	26.6
106.04189	0.6
107.04961	59.0
107.08599	29.4
108.05258	0.4
109.06523	8.6
119.06073	7.5
124.03959	0.3
124.05203	0.5
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	Unknow
Peak:m/z	Relative Intensity
51.02378	1.2
53.03952	13.4
55.01874	2.3
55.53640	0.8
62.84453	0.7
65.03941	13.2
67.05514	3.8
67.13704	0.7
69.83929	3.5
77.03920	3.4
79.05495	41.4
81.03422	1.7
83.08650	0.7
87.65537	0.7
91.05486	100.0
92.05779	1.1
92.06271	2.5
95.04978	11.0
105.04516	5.4
105.07037	27.9
105.56285	0.6
106.04176	1.0
107.04960	60.0
107.08598	27.0
109.06518	8.0
111.71326	0.7
118.06509	0.7
119.06060	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	107.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.4
53.03952	12.7
55.01871	2.3
62.99086	0.7
65.03941	14.9
67.05512	5.9
68.36404	0.8
76.70724	0.7
77.03936	3.1
79.05497	43.7
81.03432	1.2
91.05485	100.0
91.55688	0.6
92.06286	2.2
95.04968	11.2
96.71624	0.6
105.04527	6.2
105.07040	26.8
106.04182	0.9
107.04960	67.4
107.08595	27.8
109.06522	8.0
119.06077	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	107.0495
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
51.02366	1.2
52.94273	1.1
53.03948	14.3
55.01870	1.5
55.44281	1.3
55.63360	1.0
62.99056	1.3
65.03942	10.3
65.67589	1.3
66.52030	1.2
67.05504	4.5
70.28811	4.2
70.29185	1.2
77.03928	4.2
79.05496	33.1
81.03417	1.6
90.18441	1.1
91.05486	69.2
92.06273	2.9
92.93805	1.1
95.04979	11.7
105.04553	7.6
105.07037	21.9
105.07701	2.0
107.04960	100.0
107.08600	21.2
109.06512	6.0
119.06062	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	1062.5488
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03929	1.4
79.05496	26.9
81.03416	4.7
81.07058	35.7
83.01331	1.2
83.04974	1.7
83.08617	3.8
85.02435	0.6
85.02907	6.6
85.06554	1.0
87.04465	0.6
91.03960	3.8
91.05480	20.8
93.03391	1.4
93.07045	27.8
95.01342	5.3
95.04951	5.6
95.08607	26.2
96.04461	0.8
97.02890	4.1
97.06516	1.8
97.10165	2.8
99.04502	0.6
99.08051	0.9
101.02383	0.9
101.74545	0.6
103.05463	1.3
105.03395	1.2
105.04523	1.5
105.07035	15.9
107.04959	3.7
107.08597	15.2
109.02877	2.4
109.06507	2.8
109.10165	12.4
111.04379	0.8
111.08080	1.3
115.05423	2.9
117.07024	9.2
119.04930	2.3
119.08588	11.1
121.02847	1.9
121.06484	2.8
121.10147	13.0
123.04422	2.6
123.08072	2.6
123.11711	4.2
123.26746	0.5
125.02347	1.6
125.09599	1.4
127.03908	1.5
128.06201	2.8
129.06998	8.5
130.07761	0.9
131.04922	2.2
131.08566	12.4
133.02834	1.0
133.06508	2.6
133.10127	9.1
135.04407	2.5
135.08037	2.5
135.11676	7.2
137.02289	0.8
137.05997	1.3
137.09621	1.5
139.03900	2.5
141.01852	1.1
141.06987	3.0
142.07796	0.9
143.08575	5.6
144.09325	0.6
145.06508	4.9
145.10132	9.7
147.04387	3.8
147.08086	2.7
147.11682	4.6
149.02356	1.8
149.05942	1.7
149.09621	1.7
149.13295	3.3
151.03911	3.0
151.11218	0.8
153.06967	0.9
155.03363	1.1
155.08569	5.4
157.06522	2.2
157.10132	6.6
159.04430	2.3
159.08063	2.2
159.11688	7.0
161.02338	0.7
161.05931	4.3
161.09612	1.6
161.13240	3.9
163.03975	3.7
163.06049	1.3
163.07526	1.0
163.11183	1.3
163.14825	1.3
165.01830	2.1
165.05481	2.3
165.07048	1.7
166.07813	1.2
167.03438	0.8
167.08522	3.1
169.04958	0.9
169.06462	1.2
169.10101	4.6
171.04411	1.3
171.08012	2.8
171.11705	3.8
173.05991	4.2
173.09618	2.5
173.13275	4.1
175.03911	4.1
175.07578	1.4
175.11226	1.6
175.14862	0.9
177.05511	1.9
177.12711	1.2
177.16426	0.7
179.03348	1.3
179.08560	1.3
180.09309	0.9
181.04839	0.7
181.06520	0.6
181.10112	2.5
183.08070	1.5
183.11690	2.4
185.06001	1.8
185.09610	2.5
185.13274	2.4
187.03957	2.2
187.07553	1.5
187.11191	2.6
187.14870	2.5
189.05492	4.1
189.09122	0.8
189.12703	0.8
191.03375	2.0
191.06923	0.6
191.10641	0.8
193.04994	1.4
193.10184	1.3
195.08003	0.7
195.11679	2.8
197.04407	1.4
197.09619	2.7
197.13263	2.7
199.03937	1.5
199.05815	0.7
199.07608	1.5
199.11232	3.2
199.14899	1.3
201.05412	1.5
201.09129	1.3
202.50717	0.6
203.06964	1.0
203.10661	1.7
205.04984	2.0
205.10188	0.9
205.12297	1.2
207.08064	1.0
207.11632	1.0
209.09666	1.3
209.13348	1.2
211.07552	1.2
211.11250	0.8
211.14922	1.3
213.05524	1.9
213.09268	1.4
213.12764	2.0
215.10655	3.9
217.04973	2.0
217.08495	1.2
221.04465	7.2
223.11174	2.4
223.14932	1.2
225.09122	2.4
225.12704	1.0
227.07118	1.0
227.10695	2.2
229.08472	0.7
229.12117	0.7
231.10104	1.4
233.11705	4.3
235.06030	2.2
235.13199	0.7
241.08507	1.2
241.12256	4.4
241.19524	0.8
243.10204	3.3
243.13928	1.5
243.21080	1.8
245.11792	1.9
251.10716	2.6
251.12886	1.2
253.08673	1.1
253.12189	0.8
255.10100	1.5
257.47949	0.8
259.09641	0.7
259.13303	2.4
259.20529	2.3
261.11261	2.2
261.14984	0.8
261.22095	6.2
263.12885	0.7
269.11685	5.1
271.09805	1.2
271.13342	1.8
273.11197	0.8
277.10742	2.6
279.10144	1.4
287.12729	6.3
289.10751	4.2
289.14346	3.3
297.11090	4.1
303.12219	1.7
305.13757	3.3
307.11798	2.1
307.15387	6.5
311.23715	0.7
313.21671	0.7
315.12216	9.1
317.13879	0.9
317.24963	1.1
323.14914	1.4
325.12814	1.1
333.13324	34.7
333.24313	3.0
335.25806	100.0
336.26080	3.2
351.14389	6.9
353.15997	0.6
369.15344	1.4
407.16953	4.6
417.31479	1.3
425.18082	39.7
426.18243	1.6
427.19678	2.1
435.32623	4.2
443.19138	18.7
443.25128	1.3
453.33435	1.7
455.24194	0.7
475.31985	1.2
485.24048	0.7
491.35013	0.8
493.32986	0.7
509.36365	3.4
527.37390	23.0
528.37988	6.8
529.39398	2.7
533.31995	0.6
537.36078	0.6
539.31097	0.9
547.33917	1.7
557.32642	1.6
565.34912	0.7
567.36749	1.3
575.33710	3.7
583.36206	1.1
585.37494	1.3
593.26532	0.9
593.34735	7.2
611.35834	10.7
629.36133	1.7
631.36102	1.0
638.26337	0.6
649.36945	2.6
667.38470	12.0
668.38196	0.7
685.39441	52.1
686.39606	2.8
703.40515	48.3
704.40704	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	105.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.7
51.02373	1.9
53.03952	17.1
55.01869	1.2
60.04521	1.3
61.08494	0.7
63.64768	0.6
65.03938	2.7
66.62437	0.7
71.48876	0.9
77.03938	5.6
79.05501	56.6
79.58310	0.6
80.05824	0.9
81.03416	2.2
90.22584	0.6
91.70164	0.6
95.04979	17.0
103.05476	34.1
105.03423	1.5
105.04534	11.0
105.07040	100.0
105.11099	2.9
106.07344	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02381	1.8
53.03716	1.0
53.03952	16.7
60.04512	0.8
61.08502	0.7
63.11767	0.6
65.03931	2.0
69.25669	1.6
69.26089	3.8
73.10667	0.7
77.03933	4.3
79.05499	51.0
81.03403	1.6
95.04977	12.6
102.11972	0.6
103.05475	35.5
105.03418	1.5
105.04524	8.2
105.07038	100.0
105.11068	2.2
106.06519	0.8
106.07365	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01612	0.6
51.02385	1.8
53.03717	0.9
53.03952	14.9
65.03928	1.0
69.80548	3.3
77.03928	4.7
79.05500	49.3
81.03415	0.9
95.04978	12.8
103.05478	29.7
105.04551	6.9
105.07040	100.0
106.07397	0.8
119.98378	0.5
121.08519	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06606	6.8
59.07388	1.6
60.08170	57.3
62.92992	1.2
69.03418	0.2
70.54074	0.6
70.95959	0.2
86.09707	0.2
87.04464	0.4
104.10754	100.0
105.11073	0.6
106.64044	0.2
109.50845	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	3.7
50.39626	0.5
51.02383	14.4
52.68612	0.5
53.00309	1.0
53.03949	100.0
54.04288	0.8
54.55238	0.5
55.01876	5.6
60.04537	0.8
61.08507	0.7
68.47929	0.5
68.99785	1.3
69.18519	5.0
77.03931	29.9
79.05496	11.8
81.03416	10.3
87.00844	1.2
95.04972	94.2
96.05310	0.6
103.05470	7.5
105.03401	77.8
105.04523	54.7
105.07027	22.0
105.11092	1.6
106.03710	0.7
118.06590	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01588	0.8
51.02377	1.7
53.03719	0.9
53.03953	16.3
55.01880	0.8
60.04532	0.7
65.03940	2.4
70.80611	0.9
70.80957	1.3
73.86669	0.6
77.03941	4.3
79.05502	53.8
81.03422	1.3
95.04979	13.3
103.05478	31.1
105.04542	8.6
105.07042	100.0
105.11105	1.5
106.07343	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	1.0
51.02379	2.7
53.03951	16.5
55.01873	1.1
59.05337	0.7
60.04528	1.2
61.08501	1.0
64.01904	1.1
65.03943	2.7
71.07835	1.5
77.03931	4.1
79.05497	50.3
81.03418	2.9
88.04806	0.8
89.01025	0.6
95.04973	18.8
103.05476	33.7
105.03410	1.6
105.04545	11.1
105.07039	100.0
105.11076	2.5
106.06523	1.3
121.76698	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	0.9
51.02383	3.9
53.03951	29.1
53.39493	0.5
55.01865	1.6
56.96558	1.2
60.08157	1.0
60.95850	1.3
67.73861	0.5
70.05803	1.9
70.06165	1.0
72.25063	0.5
74.00133	0.6
77.03934	11.3
81.03414	2.1
85.02930	0.8
95.04974	25.1
95.97643	0.5
102.04707	5.1
103.05473	100.0
104.05814	1.1
104.10742	2.0
105.04522	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	104.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05060	0.2
51.85778	0.3
55.64974	0.3
58.06607	7.5
59.07382	2.1
60.08169	61.0
61.08510	0.3
62.92998	2.0
69.57727	1.4
78.04733	0.4
86.09724	0.3
87.04443	0.4
98.20760	0.4
104.05041	0.3
104.10753	100.0
105.04535	0.3
105.07021	0.3
105.11093	0.6
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
55.14304	0.2
58.06601	5.9
59.07375	1.6
60.08165	55.1
62.92995	1.9
66.62159	0.2
67.22138	0.2
69.03404	0.3
70.79269	0.7
86.09715	0.3
97.57256	0.2
104.10744	100.0
105.07088	0.3
105.11092	0.4
106.50311	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06602	5.6
59.07381	1.6
60.08167	51.9
68.03386	0.2
69.03426	0.4
70.50517	0.6
86.09725	0.2
87.04471	0.9
88.07635	0.2
104.10750	100.0
105.11083	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14404	0.2
56.96575	0.5
58.06604	5.5
59.07385	1.7
60.08168	54.9
64.90044	0.2
69.03438	0.3
70.06401	1.0
82.01437	0.4
83.02454	0.2
87.04472	0.4
99.86507	0.2
100.02483	0.3
104.10751	100.0
105.11082	0.4
109.02896	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1013.3455
Annotation	Unknow
Peak:m/z	Relative Intensity
71.48414	1.0
76.02203	1.2
86.09683	1.0
111.43661	0.9
123.86294	0.8
275.48444	1.0
308.08957	1.3
323.29584	0.9
330.59036	1.0
359.22223	0.9
370.10556	1.1
384.12241	2.2
385.13025	8.8
386.13681	4.7
397.13055	1.6
398.13779	4.0
399.14597	17.4
400.15347	50.3
401.15704	3.3
411.14563	1.7
412.15616	6.3
413.16135	13.0
414.16901	18.5
415.17551	2.2
424.15576	1.2
425.16269	1.0
426.17200	1.1
427.18069	9.2
428.18533	13.5
429.13187	1.7
429.19275	27.6
430.12427	2.0
430.19586	1.5
440.14670	1.5
441.15253	3.0
443.13300	4.4
444.14420	9.8
445.14563	1.3
447.20465	1.3
455.17255	14.0
456.18112	5.1
457.14526	2.6
457.19550	1.8
458.15720	5.9
459.16522	4.5
472.17761	6.2
473.18277	19.2
474.18445	1.8
481.15045	2.8
483.16739	9.9
484.17389	1.7
485.22034	1.5
487.15463	5.1
488.17401	1.2
495.16806	2.0
496.16879	1.3
497.17563	1.2
501.17584	14.1
502.17633	3.3
502.22473	2.9
506.00165	1.3
509.14264	1.7
511.20132	1.7
523.15887	3.1
524.17181	1.3
527.15552	3.8
529.20667	3.5
530.21674	22.3
531.21411	2.0
539.19330	18.6
540.19556	4.7
541.17371	3.4
546.21130	11.8
555.19012	1.1
557.20386	26.6
558.20465	4.3
559.18256	2.9
561.23535	5.5
571.21655	2.0
573.19763	6.3
574.20612	100.0
575.20721	7.0
584.18469	1.3
589.22925	9.2
601.19324	11.1
602.19501	3.7
605.22485	8.2
606.21790	1.5
615.20868	12.8
617.22424	23.0
633.21912	11.6
643.20313	18.6
661.21362	40.6
662.21289	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.8
55.01881	5.8
55.05521	5.9
55.57813	0.7
56.05041	11.7
56.96568	14.0
57.03431	2.9
58.99874	3.7
59.05013	3.5
59.06133	1.0
59.52210	1.3
59.93121	0.7
59.99969	1.4
60.04539	1.1
61.02937	1.3
65.52177	2.1
66.52986	0.9
68.00275	1.9
68.02665	3.8
68.99799	6.0
69.01920	1.7
69.87643	3.5
70.98136	1.5
70.99868	6.4
71.01349	3.8
71.03015	1.0
71.95255	1.3
72.52972	1.3
73.02930	9.3
73.06562	0.7
73.52844	1.0
74.00259	1.6
74.02448	3.2
74.06075	0.7
75.01045	2.5
75.01883	0.7
77.00887	5.8
78.52968	1.7
79.01859	2.2
79.51933	1.2
81.01926	1.0
81.03407	0.7
81.54742	0.6
82.01459	5.9
82.99845	2.3
83.00779	2.1
83.01506	6.3
83.04977	3.5
84.01183	1.4
84.04507	4.3
84.08149	1.8
84.52969	0.9
84.73650	0.6
85.02906	2.4
85.51934	0.7
86.52720	1.6
87.01912	1.1
87.52576	1.0
89.00308	0.9
89.00884	5.0
95.01938	1.4
97.00123	0.8
98.52683	2.8
98.97597	4.7
100.02489	13.4
101.00893	39.0
101.02512	20.1
101.03442	1.0
101.06022	2.1
101.07928	3.8
102.02245	3.8
102.05562	1.8
103.02404	1.3
110.97596	1.2
113.00878	1.3
115.01227	1.6
116.98663	2.1
118.03534	3.6
119.01931	100.0
119.03611	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	101.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29421	1.7
62.20550	1.6
65.95370	1.9
70.77403	4.2
79.96327	1.5
82.99861	9.8
83.01516	14.1
84.01228	2.0
100.63421	1.6
101.00894	69.7
101.02567	20.4
119.01935	100.0
119.03696	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	101.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85373	1.3
55.05504	1.6
56.96304	2.1
56.96570	40.6
57.03427	3.8
58.96164	6.8
58.99882	1.2
60.54293	1.3
60.95842	4.2
61.02919	1.9
66.00529	3.3
68.00263	9.0
68.02650	2.1
70.70991	3.8
70.98128	18.5
70.99857	3.2
71.95266	2.5
73.02924	2.4
73.94861	1.8
74.00265	1.8
75.01056	2.8
77.00815	5.9
79.01839	2.1
80.52699	2.6
82.01443	5.5
82.99851	7.3
83.00782	3.2
83.01488	7.9
84.01180	2.7
84.04502	1.6
84.08151	1.3
85.01431	1.5
86.04223	1.2
88.99156	2.1
89.00809	5.2
98.01301	5.3
98.97575	12.7
100.02492	5.4
100.97195	5.1
100.97987	2.8
101.00890	69.5
101.02538	11.2
102.02268	7.0
104.13351	1.2
105.02187	1.4
107.00150	1.8
107.01815	1.6
110.97569	5.7
111.00379	1.4
116.98663	2.5
118.03532	1.7
119.01929	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	1003.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
69.75368	5.6
72.84303	1.1
73.60420	1.1
82.99864	2.1
84.84238	1.0
89.03921	2.8
97.02901	3.5
98.21542	0.9
98.97605	1.1
101.00882	10.1
109.02892	2.2
109.54206	1.1
113.00869	3.6
117.03365	2.3
119.01929	14.1
127.02398	3.1
129.03897	1.1
131.01917	8.1
135.04440	5.2
135.10648	1.3
139.02435	1.5
143.01886	20.3
145.01799	1.4
145.02699	3.4
145.03485	7.3
149.03004	1.6
155.01898	31.3
156.02098	1.0
156.63861	1.0
157.03467	6.8
160.54695	1.0
161.01636	1.6
161.02963	13.6
163.03908	79.2
164.04201	2.6
167.01865	10.3
169.03456	3.6
171.01274	1.2
171.05043	1.9
173.02968	55.3
174.03130	2.4
175.02661	1.6
175.04582	1.5
177.00865	1.1
179.01881	4.0
185.01221	1.3
185.02948	29.6
186.03145	1.5
187.02777	1.2
187.04503	3.1
191.04051	1.4
197.02965	10.2
203.01941	4.5
203.03999	10.5
209.03017	2.9
215.03993	9.6
217.01904	1.6
218.53235	1.1
221.02963	71.3
221.04901	3.8
222.03278	2.5
227.04070	5.8
239.03983	11.4
245.02867	12.2
245.05089	57.9
246.05269	2.3
247.04634	7.6
257.02924	3.0
257.05188	18.4
263.03943	30.6
263.06213	4.0
273.04593	3.7
275.03571	9.4
275.06662	7.3
277.05588	1.1
281.05075	97.6
282.05276	2.2
283.06635	1.5
291.05673	1.1
293.04990	6.4
295.06696	2.2
299.06403	12.0
304.06583	2.5
305.04510	1.4
305.07562	2.4
307.06625	3.1
311.06131	11.0
317.05103	5.4
319.02576	6.0
321.07990	1.3
323.06064	13.3
335.06183	4.7
347.06046	4.5
353.06982	2.1
355.87524	1.1
365.06903	34.8
379.05060	9.7
383.08252	31.7
391.04993	2.2
397.06262	2.6
406.09601	1.2
409.06021	2.5
421.06467	1.8
435.09424	1.3
437.11499	2.8
439.07333	8.9
463.07578	1.5
481.08313	13.3
485.55991	1.1
499.09348	30.5
500.09647	1.3
511.05112	1.1
527.30542	1.1
545.13580	33.0
546.13654	2.5
643.13745	6.6
655.99506	1.1
661.14587	100.0
662.15070	5.1
664.73224	1.4
707.19006	1.8
753.53949	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1003.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
71.17278	1.7
79.86597	0.7
80.74431	0.8
81.03426	1.2
82.99844	1.7
85.02893	1.0
89.03928	2.1
92.04145	0.8
97.02892	2.2
101.00897	11.4
109.02889	2.3
113.00851	4.0
115.02480	1.0
117.03369	2.1
119.01930	11.6
127.02424	4.1
130.86543	0.9
131.01918	11.2
135.04425	2.8
139.02449	2.2
143.01904	24.6
144.02025	1.1
145.03592	8.6
147.01395	1.0
149.02939	1.6
155.01897	36.0
156.01974	1.0
157.01627	2.7
157.03487	5.8
161.02977	14.5
161.04303	0.7
163.03911	67.8
164.04198	1.2
167.01897	9.6
169.03423	4.8
171.05052	1.8
173.02974	55.6
174.03178	3.0
175.02737	2.5
175.04587	1.0
179.01868	4.3
185.02974	34.9
186.03079	1.3
187.02835	1.7
187.04549	3.7
191.04044	1.7
193.03461	1.6
196.04576	1.9
197.02966	11.4
199.00983	1.1
199.04547	2.3
203.01950	4.0
203.04025	12.7
205.03793	1.9
209.02939	3.5
215.04016	10.1
217.01959	3.8
217.03741	0.9
221.02966	73.9
221.04829	2.7
222.03191	2.8
227.04059	8.8
235.04459	1.1
239.04012	10.7
245.02899	13.6
245.05113	61.5
246.05334	4.2
247.04582	8.8
251.03925	1.3
257.02832	2.5
257.05112	15.8
259.04993	1.0
263.03955	34.2
263.06226	3.9
264.04138	1.7
265.05679	1.3
273.02188	1.0
273.04465	5.2
275.03528	8.8
275.06656	9.8
277.05637	2.5
281.05093	100.0
282.05304	3.2
291.05652	3.6
293.04788	6.3
295.06714	1.0
299.06290	13.8
301.01611	1.6
305.07147	5.0
307.06665	3.2
309.04672	1.1
309.08191	1.0
311.06171	12.3
317.04968	5.6
319.02539	6.4
323.06168	12.5
324.06122	1.1
325.50192	0.9
335.05624	4.2
347.06140	2.7
353.07220	2.9
365.06873	37.1
366.07434	1.8
379.05127	9.9
383.08264	36.0
384.08655	1.4
391.05209	2.1
397.06107	3.1
409.06223	3.7
421.06311	1.8
435.09946	1.6
437.11176	1.7
439.07181	8.6
451.07092	1.1
481.08398	15.9
499.09344	38.8
500.09857	1.0
545.13568	31.9
546.13605	1.3
613.05908	0.9
643.13373	7.9
659.12817	1.1
660.13342	1.8
661.14575	97.1
662.14630	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	1003.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
69.75040	2.1
69.75449	4.5
82.99852	1.4
89.03892	2.2
97.02883	3.5
98.97585	1.5
101.00883	9.2
102.07961	0.9
105.00388	1.0
109.02895	2.4
113.00889	3.5
114.48241	0.9
117.03365	1.9
119.01922	10.7
125.14510	1.0
127.02420	2.6
129.00323	1.2
131.01923	9.2
135.04404	4.2
137.02988	0.9
139.02373	2.1
143.01906	21.5
145.02620	1.8
145.03465	6.6
149.02956	1.8
155.01900	30.0
157.03484	5.3
161.02963	16.0
163.03908	87.2
164.04222	1.5
167.01924	9.2
169.03471	3.3
171.01340	1.2
171.05054	2.2
173.02972	57.4
174.03052	1.3
175.02748	1.2
179.01892	3.3
185.01328	1.1
185.02965	33.5
185.04611	1.8
187.02956	1.1
187.04526	3.8
191.03952	1.6
192.81990	1.2
193.03516	1.2
197.02985	10.6
199.00949	1.0
199.04427	1.1
203.01917	4.5
203.04033	11.3
204.04102	0.9
209.02924	2.9
215.04021	12.0
217.01938	3.2
221.02966	70.6
221.04898	3.1
222.03174	1.7
227.04094	7.0
229.05704	1.0
239.04007	14.4
245.02910	14.3
245.05104	56.7
246.05247	2.7
247.04539	7.8
255.03639	1.0
257.03052	1.4
257.05133	16.3
263.03903	32.3
263.06238	5.0
265.05624	1.3
271.04550	1.2
273.04593	2.0
275.03604	10.3
275.06674	8.8
277.06003	2.2
279.03619	1.9
281.05081	100.0
282.05411	4.4
283.06674	1.6
291.05655	3.2
293.04904	6.9
295.06528	1.6
299.06339	12.1
301.04355	1.9
304.06622	2.9
305.04407	1.8
305.07202	4.3
307.06683	1.1
309.04550	2.1
309.08044	1.1
311.06174	12.5
317.04929	6.9
319.02490	5.8
321.08032	1.0
323.06165	12.7
335.05679	5.1
347.06155	3.9
353.07101	3.4
365.06915	36.2
379.05151	9.4
383.08221	36.0
384.08588	1.4
391.05151	2.6
397.06100	3.3
409.06012	3.8
421.05951	1.2
425.09296	1.5
435.09912	2.1
437.11142	2.3
439.07141	9.7
463.07227	1.5
481.08533	14.0
499.09348	33.5
500.09528	1.1
545.13513	34.8
546.13287	1.3
643.13110	4.1
661.14612	98.8
662.14801	6.3
707.17926	2.1
END